0 B7R0.6 C=C(Br)CCC(=C)Br Amb24565975 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 C=C(Cl)CCC(N)=O Amb25843741 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(=C)CCC(=O)Cl Amb24640436 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.6 CC(=C)CNC(N)=S Amb19372825 [0,0,0,0,0,0|3,1,0]=4 8 B7R0.6 CC(=C)CSC(N)=N Amb25025376 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(=C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.6 CC(=C)\C=C\C(N)=O Amb25259797 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 CC(=CCC(=O)C)C Amb17593170 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.6 CC(=N)SCC(O)=O Amb25704672 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 CC(=NNC(=O)C)C Amb1047247 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 CC(=O)C=CC(C)=O Amb22346013 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 CC(=O)CC=C(Cl)Cl Amb25745505 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.6 CC(=O)CCC(=C)Br Amb24690678 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.6 CC(=O)CCC(Cl)Cl Amb25724918 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [0,0,0,0,0,0|0,0,1]=1 22 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.6 CC(=O)CCS(=O)=O Amb25730256 [0,0,0,0,0,0|1,0,1]=2 24 B7R0.6 CC(=O)CC[N+]([O-])=O Amb18198961 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.6 CC(=O)CSC(C)=C Amb25809979 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.6 CC(=O)CSC(C)=N Amb24634756 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.6 CC(=O)CSC(N)=N Amb24084924 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 CC(=O)CSC(N)=S Amb25044427 [0,0,0,0,0,0|2,1,0]=3 30 B7R0.6 CC(=O)NCC(=C)Br Amb25804966 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.6 CC(=O)NCC(=C)Cl Amb25032220 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|1,0,0]=1 34 B7R0.6 CC(=O)NCC(=S)N Amb17231879 [0,0,0,0,0,0|2,1,0]=3 35 B7R0.6 CC(=O)NCC(C)=C Amb25126091 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.6 CC(=O)NCC(O)O Amb25378443 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.6 CC(=O)NNC(=S)N Amb2543737 [0,0,0,0,0,0|3,1,0]=4 38 B7R0.6 CC(=O)OC=C(C)N Amb24573507 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CC(=O)OCC(=C)Br Amb25333124 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.6 CC(=O)OCC(=C)C Amb16187121 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.6 CC(=O)OCC(=C)Cl Amb24744447 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(=O)OCC(=O)Br Amb25032214 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|1,0,0]=1 44 B7R0.6 CC(=O)OCC(F)Cl Amb25116212 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.6 CC(=O)OCS(C)=O Amb24667100 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.6 CC(=O)OOC(C)=O Amb22230214 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.6 CC(=O)OSC(N)=S Amb24381984 [0,0,0,0,0,0|3,1,0]=4 49 B7R0.6 CC(=O)SCC(=C)Cl Amb21960981 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.6 CC(=O)SCC(C)=O Amb25131248 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.6 CC(=O)SNC(N)=O Amb25843227 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.6 CC(=O)\C=C/C(C)=O Amb24551133 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [0,0,0,0,0,0|0,0,2]=2 58 B7R0.6 CC(=O)\C=C\C(=O)Cl Amb24643241 [0,0,0,0,0,0|1,0,2]=3 59 B7R0.6 CC(=O)\C=C\C(C)=C Amb25232835 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.6 CC(=O)\C=C\C(O)O Amb25663062 [0,0,0,0,0,0|0,0,4]=4 62 B7R0.6 CC(=S)NCC(O)=O Amb24325138 [0,0,0,0,0,0|1,1,0]=2 63 B7R0.6 CC(Br)CCC(=O)Cl Amb24483133 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.6 CC(Br)CCC(N)=O Amb24065438 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [0,0,0,0,0,0|1,0,1]=2 66 B7R0.6 CC(Br)CNC(C)=O Amb24727885 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.6 CC(Br)COC(C)=O Amb25360690 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.6 CC(Br)\C=C\C(O)=O Amb18648210 [0,0,0,0,0,0|1,0,3]=4 69 B7R0.6 CC(C)=C=CC(C)=O Amb25189061 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.6 CC(C)=CCC([O-])=O Amb22491058 [0,0,0,0,0,0|1,0,2]=3 71 B7R0.6 CC(C)=COC(=O)Cl Amb25174283 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.6 CC(C)=COC(C)=O Amb25349708 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.6 CC(C)=NCC(O)=O Amb24481383 [0,0,0,0,0,0|2,0,0]=2 74 B7R0.6 CC(C)CCC(C)=C Amb22734286 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 CC(C)CCC(N)=N Amb19890005 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.6 CC(C)CCS(C)=O Amb24369501 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [0,0,0,0,0,0|1,0,1]=2 78 B7R0.6 CC(C)CC[13C]([O-])=O Amb22369748 [0,0,0,0,0,0|1,0,2]=3 79 B7R0.6 CC(C)CC[N+]([O-])=O Amb17672612 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.6 CC(C)CSC(=O)Cl Amb22337028 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.6 CC(C)N=CC(O)=O Amb25243501 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.6 CC(C)OCC([O-])=O Amb22754781 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.6 CC(C)SCC(C)=O Amb22549127 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.6 CC(C)\C=C/C(O)=O Amb24481395 [0,0,0,0,0,0|1,0,3]=4 85 B7R0.6 CC(CCB(O)O)C Amb13890540 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.6 CC(CCC(=O)O)C Amb1153016 [0,0,0,0,0,0|1,0,1]=2 87 B7R0.6 CC(CCC(=O)O)N Amb17593212 [0,0,0,0,0,0|1,0,1]=2 88 B7R0.6 CC(CNC(=O)N)C Amb1151241 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.6 CC(Cl)=C=CC(O)=O Amb25321565 [0,0,0,0,0,0|1,0,2]=3 90 B7R0.6 CC(Cl)=CCC(N)=O Amb25324975 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.6 CC(Cl)CCC(C)O Amb25136164 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.6 CC(Cl)CCC(N)=O Amb24469692 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [0,0,0,0,0,0|1,0,1]=2 95 B7R0.6 CC(Cl)CNC(C)=O Amb25702921 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.6 CC(Cl)CNC(N)=O Amb25068414 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.6 CC(Cl)COC(=O)F Amb24470183 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.6 CC(Cl)COC(C)=O Amb25783984 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.6 CC(Cl)CSC(=O)Cl Amb24456190 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.6 CC(Cl)CSC(C)=O Amb24530194 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.6 CC(F)CCC(O)=O Amb24682772 [0,0,0,0,0,0|1,0,1]=2 102 B7R0.6 CC(N)=NCC(=C)Br Amb25355414 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.6 CC(N)=NCC(=C)Cl Amb25200362 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.6 CC(N)CCC(C)=C Amb18641752 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.6 CC(N)CCC(C)=O Amb24698356 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.6 CC(N)CCC(N)=O Amb18641901 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.6 CC(N)CCC(O)=O Amb19515603 [0,0,0,0,0,0|1,0,1]=2 108 B7R0.6 CC(N)CCS(C)=O Amb19337158 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.6 CC(N)CCS(C)=O Amb22059582 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.6 CC(N)CNC(C)=O Amb18631377 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.6 CC(N)CNC(N)=O Amb18202688 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.6 CC(N)\C=C\C(O)=O Amb18641827 [0,0,0,0,0,0|1,0,3]=4 113 B7R0.6 CC(NCC(=O)N)C Amb2370772 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.6 CC(NCC(=O)O)C Amb2372347 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.6 CC(O)=NNC(N)=O Amb17777869 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.6 CC(O)CC=C(C)C Amb24645341 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.6 CC(O)CCB(O)O Amb24594819 [0,0,0,0,0,0|1,0,3]=4 118 B7R0.6 CC(O)CCC(C)=C Amb24062974 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.6 CC(O)CCC(C)=O Amb25829594 [0,0,0,0,0,0|1,0,1]=2 120 B7R0.6 CC(O)CCC(C)N Amb18641930 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.6 CC(O)CCC(O)=O Amb18294804 [0,0,0,0,0,0|0,0,2]=2 122 B7R0.6 CC(O)CCN(C)N Amb24370255 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.6 CC(O)CN=C(C)N Amb24370924 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.6 CC(O)CNS(C)=O Amb24536649 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.6 CC(O)COC(C)=O Amb24056158 [0,0,0,0,0,0|2,0,1]=3 126 B7R0.6 CC(O)COP(O)=O Amb24591406 [0,0,0,0,0,0|2,0,2]=4 127 B7R0.6 CC(O)NCC(O)=O Amb25141558 [0,0,0,0,0,0|1,0,2]=3 128 B7R0.6 CC(O)OCC(C)=C Amb24333382 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.6 CC(O)\C=C\C(C)=O Amb25334941 [0,0,0,0,0,0|1,0,3]=4 130 B7R0.6 CC(O)\C=C\C(O)=O Amb18641876 [0,0,0,0,0,0|0,0,4]=4 131 B7R0.6 CC(S)CNC(C)=O Amb24695989 [0,0,0,0,0,0|2,1,1]=4 132 B7R0.6 CC(S)\C=C\C(O)=O Amb18124362 [0,0,0,0,0,0|0,1,3]=4 133 B7R0.6 CC(SCC(=O)O)C Amb1128460 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.6 CN(C)CCC(O)=O Amb19888182 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.6 CN(C)NCC(N)=O Amb24634715 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.6 CN(C)NCC(O)=O Amb24481366 [0,0,0,0,0,0|3,0,0]=3 137 B7R0.6 CN(C)SCC(N)=O Amb22492532 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.6 CN(C)\C=C\C(O)=O Amb25273624 [0,0,0,0,0,0|2,0,2]=4 139 B7R0.6 CN(CCC(=N)N)C Amb13951664 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.6 CN(CCC(=O)C)C Amb1129203 [0,0,0,0,0,0|3,0,0]=3 141 B7R0.6 CN(CCC(=O)N)C Amb17231825 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.6 CS(=O)CCC(N)=N Amb25248432 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.6 CS(=O)CCC(N)=O Amb24475802 [0,0,0,0,0,0|2,0,0]=2 144 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [0,0,0,0,0,0|1,0,0]=1 145 B7R0.6 CS(=O)NCC(=C)Br Amb24688786 [0,0,0,0,0,0|4,0,0]=4 146 B7R0.6 CS(=O)NCC(=C)Cl Amb25177399 [0,0,0,0,0,0|4,0,0]=4 147 B7R0.6 CS(=O)NCC(N)=O Amb24589713 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.6 CS(=O)NCC(O)=O Amb25237322 [0,0,0,0,0,0|2,0,0]=2 149 B7R0.6 CS(=O)\C=C\C(O)=O Amb18642965 [0,0,0,0,0,0|1,0,2]=3 150 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [0,0,0,0,0,0|1,0,2]=3 151 B7R0.6 C[C@@H](O)C#CC(O)=O Amb24334413 [0,0,0,0,0,0|0,0,4]=4 152 B7R0.6 C[C@@H](O)CCB(O)O Amb25683632 [0,0,0,0,0,0|1,0,3]=4 153 B7R0.6 C[C@@H](O)CCC(C)=C Amb22896943 [0,0,0,0,0,0|2,0,1]=3 154 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [0,0,0,0,0,0|1,0,1]=2 155 B7R0.6 C[C@@H](O)CCC(C)O Amb25846912 [0,0,0,0,0,0|1,0,3]=4 156 B7R0.6 C[C@@H](O)CN=C(C)N Amb25026449 [0,0,0,0,0,0|3,0,1]=4 157 B7R0.6 C[C@@H](O)CNC(C)=O Amb25133822 [0,0,0,0,0,0|2,0,1]=3 158 B7R0.6 C[C@@H](O)COC(C)=O Amb25832756 [0,0,0,0,0,0|2,0,1]=3 159 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [0,0,0,0,0,0|0,1,1]=2 160 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [0,0,0,0,0,0|1,0,1]=2 161 B7R0.6 C[C@H](O)CNC(N)=O Amb24384732 [0,0,0,0,0,0|2,0,2]=4 162 B7R0.6 C[C@H](O)CSC(C)=O Amb25256687 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [0,0,0,0,0,0|2,0,0]=2 164 B7R0.6 C[S+](C)CCC([O-])=O Amb20247306 [0,0,0,0,0,0|2,0,1]=3 165 B7R0.6 FC(COC(=O)C)F Amb10839327 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.6 NC(=N)CCC(=O)Cl Amb24565938 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [0,0,0,0,0,0|2,0,0]=2 168 B7R0.6 NC(=N)NCC(=O)Cl Amb25258517 [0,0,0,0,0,0|4,0,0]=4 169 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.6 NC(=O)CCB(O)O Amb24483052 [0,0,0,0,0,0|2,0,1]=3 174 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [0,0,0,0,0,0|2,0,0]=2 175 B7R0.6 NC(=O)CCC(F)F Amb25271130 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.6 NC(=O)CCC(N)=N Amb25680023 [0,0,0,0,0,0|3,0,0]=3 177 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [0,0,0,0,0,0|2,0,0]=2 178 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.6 NC(=O)CNC(S)=S Amb24697901 [0,0,0,0,0,0|2,2,0]=4 180 B7R0.6 NC(=O)CNC([O-])=S Amb25146514 [0,0,0,0,0,0|2,1,1]=4 181 B7R0.6 NC(=O)CSC(N)=N Amb22261500 [0,0,0,0,0,0|4,0,0]=4 182 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [0,0,0,0,0,0|2,0,0]=2 184 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [0,0,0,0,0,0|2,0,0]=2 187 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [0,0,0,0,0,0|3,0,0]=3 188 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [0,0,0,0,0,0|2,0,0]=2 189 B7R0.6 NC(=S)CCC(=S)N Amb10552426 [0,0,0,0,0,0|2,2,0]=4 190 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [0,0,0,0,0,0|1,1,0]=2 191 B7R0.6 NC(=S)CNC(N)=O Amb24667922 [0,0,0,0,0,0|3,1,0]=4 192 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [0,0,0,0,0,0|2,1,0]=3 193 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [0,0,0,0,0,0|2,1,0]=3 194 B7R0.6 NC(=S)\C=C\C(O)=O Amb25707640 [0,0,0,0,0,0|1,1,2]=4 195 B7R0.6 O=C(Cl)CCC(Cl)Cl Amb24441999 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [0,0,0,0,0,0|2,0,0]=2 197 B7R0.6 O=C([OH2+])[13C]#CC(=O)[OH2+] Amb22336968 [0,0,0,0,0,0|1,0,3]=4 198 B7R0.6 OB(O)CCC(O)=O Amb24640288 [0,0,0,0,0,0|2,0,1]=3 199 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,0,0,0,0,0|1,0,2]=3 200 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,0,0,0,0,0|1,0,2]=3 201 B7R0.6 OC(=O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 202 B7R0.6 OC(=O)CC=C(F)F Amb25127059 [0,0,0,0,0,0|2,0,1]=3 203 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [0,0,0,0,0,0|1,0,0]=1 204 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [0,0,0,0,0,0|2,0,1]=3 205 B7R0.6 OC(=O)CCC(F)F Amb20623135 [0,0,0,0,0,0|2,0,1]=3 206 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,0,0,0,0,0|1,0,0]=1 207 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,0,0,0,0,0|1,0,0]=1 208 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,0,0,0,0,0|1,0,0]=1 209 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,0,0,0,0,0|1,0,0]=1 210 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [0,0,0,0,0,0|2,0,0]=2 211 B7R0.6 OC(=O)CNC(S)=S Amb24739663 [0,0,0,0,0,0|2,1,0]=3 212 B7R0.6 OC(=O)COC(S)=S Amb24739791 [0,0,0,0,0,0|2,1,0]=3 213 B7R0.6 OC(=O)COS(=O)=O Amb25064798 [0,0,0,0,0,0|3,0,0]=3 214 B7R0.6 OC(=O)CSC(S)=S Amb24608205 [0,0,0,0,0,0|2,1,0]=3 215 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,0,0,0,0,0|1,0,0]=1 216 B7R0.6 OC(=O)C\C=C(\F)/Cl Amb24599232 [0,0,0,0,0,0|2,0,1]=3 217 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,0,0,0,0,0|2,0,0]=2 218 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,0,0,0,0,0|1,0,0]=1 219 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,0,0,0,0,0|1,0,0]=1 220 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,0,0,0,0,0|1,0,2]=3 221 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,0,0,0,0,0|1,0,2]=3 222 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,0,0,0,0,0|1,0,2]=3 223 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,0,0,0,0,0|1,0,2]=3 224 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,0,0,0,0,0|1,0,2]=3 225 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,0,0,0,0,0|1,0,2]=3 226 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,0,0,0,0,0|1,0,2]=3 227 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,0,0,0,0,0|1,0,2]=3 228 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [0,0,0,0,0,0|2,0,2]=4 229 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,0,0,0,0,0|1,0,2]=3 230 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,0,0,0,0,0|1,0,2]=3 231 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [0,0,0,0,0,0|1,0,1]=2 232 B7R0.6 OC(O)CCC(O)=O Amb25762802 [0,0,0,0,0,0|1,0,2]=3 233 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,0,0,0,0,0|1,0,0]=1 234 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,0,0,0,0,0|1,0,0]=1 235 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,0,0,0,0,0|1,0,2]=3 236 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,0,0,0,0,0|1,0,0]=1 237 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [0,0,0,0,0,0|0,0,0]=0 238 B7R0.6 [15NH2][13C](=O)NN[13C](=O)[15NH2] Amb17615003 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.6 [O-]C(=O)/C=C/C([O-])=O Amb17942943 [0,0,0,0,0,0|1,0,3]=4 240 B7R0.6 [O-]C(=O)C#CC(O)=O Amb19748298 [0,0,0,0,0,0|1,0,2]=3 241 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [0,0,0,0,0,0|1,0,0]=1 242 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [0,0,0,0,0,0|1,0,0]=1 243 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [0,0,0,0,0,0|1,0,1]=2 244 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [0,0,0,0,0,0|1,0,1]=2 245 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [0,0,0,0,0,0|1,0,1]=2 246 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [0,0,0,0,0,0|1,0,1]=2 247 B7R0.6 [O-]C(=O)NCC([O-])=O Amb22731445 [0,0,0,0,0,0|2,0,1]=3 248 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [0,0,0,0,0,0|1,0,2]=3 249 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22731335 [0,0,0,0,0,0|1,0,3]=4 250 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22733809 [0,0,0,0,0,0|1,0,3]=4 251 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb24325338 [0,0,0,0,0,0|1,0,3]=4 252 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [0,0,0,0,0,0|1,0,2]=3 253 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [0,0,0,0,0,0|1,0,2]=3 254 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb20246799 [0,0,0,0,0,0|1,0,3]=4 255 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22002520 [0,0,0,0,0,0|1,0,3]=4 256 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22043369 [0,0,0,0,0,0|1,0,3]=4 257 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22730640 [0,0,0,0,0,0|1,0,3]=4 258 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22732045 [0,0,0,0,0,0|1,0,3]=4 259 B7R0.6 [O-][N+](=O)CCC(=O)Cl Amb24532013 [0,0,0,0,0,0|2,0,1]=3 260 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [0,0,0,0,0,0|2,0,0]=2 261 B7R0.6 [O-][N+](=O)\C=C\C(O)=O Amb25736416 [0,0,0,0,0,0|2,0,2]=4 262 B6R0.4 C#CCCC(N)=O Amb18636026 [1,0,0,0,0,0|1,0,2]=4 263 B6R0.4 C#CCCC([O-])=O Amb22232009 [1,0,0,0,0,0|0,0,3]=4 264 B6R0.4 C=C(Br)CCC=O Amb18645745 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.4 C=C(Br)CNC=O Amb25169576 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 C=C(Cl)CCC=O Amb24525208 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.4 C=C(Cl)CNC=O Amb24376668 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.4 C=CC#CC(O)=O Amb24479724 [1,0,0,0,0,0|0,0,3]=4 270 B6R0.4 C=CCCB(O)O Amb10067042 [1,0,0,0,0,0|1,0,2]=4 271 B6R0.4 C=CCCC(N)=N Amb25326954 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 C=CCCS([O-])=O Amb25680826 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 C=CCC[N+]([O-])=O Amb22490976 [1,0,0,0,0,0|1,0,2]=4 274 B6R0.4 C=CCSC(=O)Cl Amb22231425 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 C=COCC(N)=O Amb25075789 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 C=NCCC(O)=O Amb24480865 [1,0,0,0,0,0|1,0,1]=3 277 B6R0.4 CC#CCC(N)=O Amb24761404 [1,0,0,0,0,0|1,0,2]=4 278 B6R0.4 CC#CCC(O)=O Amb17939740 [1,0,0,0,0,0|0,0,2]=3 279 B6R0.4 CC(=C)CCC#C Amb18634222 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 CC(=C)CCC=C Amb22228883 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CC(=C)CCC=O Amb18120891 [1,0,0,0,0,0|1,0,0]=2 282 B6R0.4 CC(=C)CCCBr Amb22886717 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 CC(=C)CCCCl Amb24089299 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.4 CC(=C)CCCN Amb24761452 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.4 CC(=C)CCCO Amb22886814 [1,0,0,0,0,0|1,0,1]=3 286 B6R0.4 CC(=C)CCNN Amb25745941 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.4 CC(=C)CNC=O Amb24448470 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 CC(=C)CNC=S Amb25789831 [1,0,0,0,0,0|2,1,0]=4 289 B6R0.4 CC(=C)C\C=C/Cl Amb24332781 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CC(=C)C\C=C\Cl Amb24519433 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 CC(=C)NCC=C Amb24721856 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 CC(=C)NCCO Amb25127040 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 CC(=C)\C=C/C=O Amb25785232 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.4 CC(=C)\C=C\C=O Amb18120435 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.4 CC(=N)NCC=C Amb24618156 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CC(=O)C=C=CBr Amb25772659 [1,0,0,0,0,0|1,0,2]=4 297 B6R0.4 CC(=O)CC=C=C Amb25746318 [1,0,0,0,0,0|1,0,2]=4 298 B6R0.4 CC(=O)CC=NO Amb25024487 [1,0,0,0,0,0|1,0,1]=3 299 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|0,0,0]=1 300 B6R0.4 CC(=O)CCC=S Amb25662155 [1,0,0,0,0,0|0,1,0]=2 301 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|1,0,1]=3 302 B6R0.4 CC(=O)CCCI Amb25346994 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|1,0,1]=3 304 B6R0.4 CC(=O)CCON Amb25186994 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.4 CC(=O)CNC=O Amb23442787 [1,0,0,0,0,0|1,0,0]=2 307 B6R0.4 CC(=O)COC=O Amb24736861 [1,0,0,0,0,0|1,0,0]=2 308 B6R0.4 CC(=O)CSC=C Amb24479150 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.4 CC(=O)C\C=C/Cl Amb25276014 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 CC(=O)C\C=C\Cl Amb25094325 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 CC(=O)C\C=N/O Amb25066399 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 CC(=O)N=CCO Amb24420730 [1,0,0,0,0,0|1,0,2]=4 313 B6R0.4 CC(=O)NCC#C Amb20623038 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.4 CC(=O)NCCF Amb25832238 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 CC(=O)NCCI Amb25761166 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.4 CC(=O)NCCN Amb1218225 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.4 CC(=O)NCCS Amb22230992 [1,0,0,0,0,0|1,1,1]=4 319 B6R0.4 CC(=O)NNC=O Amb25663184 [1,0,0,0,0,0|2,0,0]=3 320 B6R0.4 CC(=O)OCCF Amb25123333 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.4 CC(=O)OCCI Amb17673987 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 CC(=O)OCCN Amb18121947 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CC(=O)OCCP Amb25810695 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CC(=O)ON=CCl Amb24677824 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.4 CC(=O)ON=CN Amb25732130 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.4 CC(=O)O\C=C/Cl Amb25190035 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CC(=O)O\N=C/Cl Amb24373196 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.4 CC(=O)SCC=C Amb24531624 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.4 CC(=O)SCCBr Amb24608039 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.4 CC(=O)SCCCl Amb24746776 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.4 CC(=O)SCCN Amb21953963 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.4 CC(=O)SCCN Amb22011516 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.4 CC(=O)\C=C\C=N Amb24722970 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.4 CC(=O)\C=C\C=O Amb18120765 [1,0,0,0,0,0|0,0,2]=3 335 B6R0.4 CC(=O)\C=C\CO Amb24414835 [1,0,0,0,0,0|0,0,3]=4 336 B6R0.4 CC(=S)NCC=C Amb25083646 [1,0,0,0,0,0|2,1,0]=4 337 B6R0.4 CC(=S)NCCO Amb25747406 [1,0,0,0,0,0|1,1,1]=4 338 B6R0.4 CC(=S)OCC=C Amb22230177 [1,0,0,0,0,0|2,1,0]=4 339 B6R0.4 CC(Br)=CCCO Amb24734140 [1,0,0,0,0,0|1,0,2]=4 340 B6R0.4 CC(Br)CCC=C Amb20669632 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CC(Br)CCC=O Amb18645866 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.4 CC(Br)COC=O Amb24634016 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.4 CC(C)=C=CC=O Amb25082892 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.4 CC(C)=CC=CO Amb25746627 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.4 CC(C)=CCC=C Amb22230004 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|1,0,1]=3 347 B6R0.4 CC(C)=CCCO Amb22002283 [1,0,0,0,0,0|1,0,2]=4 348 B6R0.4 CC(C)CCC=O Amb17673735 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.4 CC(C)OCC=O Amb25820659 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.4 CC(C)SCC=O Amb24479811 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.4 CC(Cl)CCC=C Amb24355384 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.4 CC(Cl)CCC=O Amb18124284 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.4 CC(I)CCC=O Amb24333933 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.4 CC(I)CCCO Amb25302406 [1,0,0,0,0,0|1,0,2]=4 355 B6R0.4 CC(N)=NCCO Amb25083393 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.4 CC(N)CCC=C Amb18121283 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.4 CC(N)CCC=O Amb24443883 [1,0,0,0,0,0|1,0,1]=3 358 B6R0.4 CC(O)CCC=C Amb22059013 [1,0,0,0,0,0|1,0,2]=4 359 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|0,0,3]=4 360 B6R0.4 CC(O)CNC=O Amb20622242 [1,0,0,0,0,0|1,0,2]=4 361 B6R0.4 CC(S)CCCO Amb24412207 [1,0,0,0,0,0|0,1,2]=4 362 B6R0.4 CC(S)CNC=O Amb24388784 [1,0,0,0,0,0|1,1,1]=4 363 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|0,0,2]=3 364 B6R0.4 CC=NCC(C)O Amb25213778 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 CC=NNC(N)=O Amb24351023 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.4 CCCCB(O)O Amb2447142 [1,0,0,0,0,0|1,0,2]=4 367 B6R0.4 CCCCC(=C)Br Amb22583744 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.4 CCCCC(=N)N Amb10066937 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 CCCCC(=O)Br Amb22730323 [1,0,0,0,0,0|1,0,1]=3 370 B6R0.4 CCCCC(N)O Amb24479887 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.4 CCCCC(O)=S Amb24682342 [1,0,0,0,0,0|0,1,1]=3 372 B6R0.4 CCCCC(O)O Amb24687253 [1,0,0,0,0,0|0,0,3]=4 373 B6R0.4 CCCCC(O)S Amb24480485 [1,0,0,0,0,0|0,1,2]=4 374 B6R0.4 CCCCC([O-])=O Amb19879370 [1,0,0,0,0,0|0,0,2]=3 375 B6R0.4 CCCCC([O-])=O Amb22056343 [1,0,0,0,0,0|0,0,2]=3 376 B6R0.4 CCCCC([O-])=O Amb22729192 [1,0,0,0,0,0|0,0,2]=3 377 B6R0.4 CCCCC([O-])=O Amb22731639 [1,0,0,0,0,0|0,0,2]=3 378 B6R0.4 CCCCS(=O)Cl Amb24551332 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 CCCCS([O-])=O Amb19889352 [1,0,0,0,0,0|1,0,2]=4 380 B6R0.4 CCCC[13C](O)=O Amb22367454 [1,0,0,0,0,0|0,0,1]=2 381 B6R0.4 CCCC[C@@H](C)O Amb19929139 [1,0,0,0,0,0|1,0,2]=4 382 B6R0.4 CCCC[Sn](=O)S Amb22730994 [1,0,0,0,0,0|1,1,1]=4 383 B6R0.4 CCCC[Sn](O)=O Amb22336393 [1,0,0,0,0,0|1,0,1]=3 384 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CCCNC(=O)N Amb1152241 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CCCNC(O)=S Amb25302945 [1,0,0,0,0,0|1,1,1]=4 387 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.4 CCCOP(O)=O Amb25366595 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CCCSC(C)=O Amb22043301 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CCNCC(=O)N Amb1128676 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|1,0,1]=3 392 B6R0.4 CCNCC(C)=O Amb24545893 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|1,0,1]=3 394 B6R0.4 CCSCC(N)=O Amb24420234 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 CC\C=C/C(O)=O Amb22230421 [1,0,0,0,0,0|0,0,3]=4 396 B6R0.4 CN(C)CCC=O Amb22001057 [1,0,0,0,0,0|2,0,0]=3 397 B6R0.4 CN(N)CCCO Amb25236057 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CN=CCC(C)=O Amb25261368 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|1,0,0]=2 400 B6R0.4 CNCCC(=S)N Amb17231833 [1,0,0,0,0,0|2,1,0]=4 401 B6R0.4 CNCCC(C)=C Amb18993045 [1,0,0,0,0,0|3,0,0]=4 402 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|2,0,0]=3 403 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|2,0,0]=3 404 B6R0.4 CNCCC(O)C Amb17569889 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.4 CNCCS(C)=O Amb21984676 [1,0,0,0,0,0|3,0,0]=4 406 B6R0.4 CNNCC(N)=O Amb25773971 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.4 CNNCC(O)=O Amb21929288 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.4 CNOCC(O)=O Amb25104714 [1,0,0,0,0,0|2,0,0]=3 409 B6R0.4 COCCC(C)O Amb20621489 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.4 COCCC(N)O Amb25727188 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.4 COCCC(O)Br Amb20242943 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.4 COCCN(=O)=O Amb24126452 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.4 COCNC(C)=O Amb24659843 [1,0,0,0,0,0|3,0,0]=4 414 B6R0.4 COCNC(N)=O Amb25744350 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.4 CON=CC(O)=O Amb25292253 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.4 CO\C=C\C(O)=O Amb18121767 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.4 CP(=O)OCCO Amb25221445 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.4 CS(=O)CCC#N Amb18641926 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.4 CS(=O)CCCBr Amb24365916 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.4 CS(=O)CCCN Amb18974527 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.4 CS(=O)CCNN Amb25810588 [1,0,0,0,0,0|3,0,0]=4 423 B6R0.4 CS(=O)CCON Amb25368924 [1,0,0,0,0,0|3,0,0]=4 424 B6R0.4 CS(=O)NCC=C Amb24603076 [1,0,0,0,0,0|3,0,0]=4 425 B6R0.4 CSCCC(=S)N Amb17307559 [1,0,0,0,0,0|2,1,0]=4 426 B6R0.4 CSCCC(N)=N Amb19373501 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.4 CSCCC(N)=N Amb19516878 [1,0,0,0,0,0|3,0,0]=4 428 B6R0.4 CSCCC(N)=O Amb24479809 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.4 CSCCN(=O)=O Amb24179458 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.4 CSCNC(C)=O Amb24561383 [1,0,0,0,0,0|3,0,0]=4 431 B6R0.4 CSCNC(N)=O Amb24612362 [1,0,0,0,0,0|3,0,0]=4 432 B6R0.4 CSCOC(C)=O Amb19884027 [1,0,0,0,0,0|3,0,0]=4 433 B6R0.4 CSSCC(N)=O Amb24480454 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.4 CSSCC(O)=O Amb25378801 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.4 CS\C=C\C(O)=O Amb18641964 [1,0,0,0,0,0|1,0,2]=4 436 B6R0.4 C[C@@H](Cl)CCC=C Amb25074076 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.4 C[C@@H](N)CCC=C Amb24670260 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.4 C[C@@H](O)CCC=C Amb19929324 [1,0,0,0,0,0|1,0,2]=4 439 B6R0.4 C[C@@H](O)CNC=O Amb25259151 [1,0,0,0,0,0|1,0,2]=4 440 B6R0.4 C[C@H](Cl)CCCO Amb24525158 [1,0,0,0,0,0|1,0,2]=4 441 B6R0.4 C[C@H](N)CCC=C Amb24332049 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.4 C[C@H](O)CCC=C Amb22226511 [1,0,0,0,0,0|1,0,2]=4 443 B6R0.4 C[C@H](O)CNC=O Amb25131739 [1,0,0,0,0,0|1,0,2]=4 444 B6R0.4 C[C@H](O)COC=O Amb25662147 [1,0,0,0,0,0|1,0,2]=4 445 B6R0.4 C[Si](=O)CCCN Amb22351702 [1,0,0,0,0,0|1,1,1]=4 446 B6R0.4 C\C(\Br)=C/CC=O Amb25811514 [1,0,0,0,0,0|1,0,1]=3 447 B6R0.4 C\C=C/CC(C)=O Amb25723218 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.4 C\C=C/CC(O)=O Amb25692581 [1,0,0,0,0,0|0,0,1]=2 449 B6R0.4 C\C=C\CC(C)=O Amb24359011 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.4 C\C=C\CC(C)O Amb24480541 [1,0,0,0,0,0|1,0,2]=4 451 B6R0.4 C\C=C\CC(N)=N Amb25176208 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.4 C\C=C\CC(N)=S Amb24401512 [1,0,0,0,0,0|1,1,1]=4 453 B6R0.4 C\C=C\CC(O)O Amb25803009 [1,0,0,0,0,0|0,0,3]=4 454 B6R0.4 C\C=C\NC(N)=O Amb25340023 [1,0,0,0,0,0|2,0,1]=4 455 B6R0.4 C\C=N\CC(O)=O Amb24618330 [1,0,0,0,0,0|1,0,0]=2 456 B6R0.4 ClCCCC(=O)N Amb1138237 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.4 FCCCC(=O)O Amb17593104 [1,0,0,0,0,0|1,0,1]=3 458 B6R0.4 N#CCCC(=O)C Amb17334046 [1,0,0,0,0,0|1,0,1]=3 459 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.4 N#CNCC(O)=O Amb25173813 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.4 N#CSCC(O)=O Amb24480976 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.4 N=CNCC(O)=O Amb24670244 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.4 NC(=O)CC=NO Amb24605273 [1,0,0,0,0,0|2,0,1]=4 464 B6R0.4 NC(=O)CCCBr Amb25779163 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|1,0,1]=3 466 B6R0.4 NC(=O)CNC=O Amb25770889 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|2,0,1]=4 468 B6R0.4 NC(=O)NCN=O Amb22490284 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.4 NC(=O)OCC=O Amb24446581 [1,0,0,0,0,0|2,0,0]=3 470 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.4 NC(=O)\C=C\C=O Amb24480849 [1,0,0,0,0,0|1,0,2]=4 472 B6R0.4 NC(=S)CCC=N Amb24681956 [1,0,0,0,0,0|2,1,0]=4 473 B6R0.4 NC(=S)CNC=O Amb24479904 [1,0,0,0,0,0|2,1,0]=4 474 B6R0.4 NC(=S)SCC=O Amb24713465 [1,0,0,0,0,0|2,1,0]=4 475 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.4 NCCCC(=O)N Amb2099583 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.4 NCCCC(Cl)=O Amb17801145 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.4 NCCCP(O)=O Amb22370049 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.4 NCCCS(O)=O Amb25185942 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.4 NNCCC(N)=O Amb24406769 [1,0,0,0,0,0|3,0,0]=4 482 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 O=C(Br)CCCCl Amb25146320 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.4 O=C(Cl)C\C=C\Cl Amb24531407 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.4 O=C(S)CCCCl Amb24683280 [1,0,0,0,0,0|1,1,1]=4 487 B6R0.4 O=CCCC(Cl)Cl Amb25241164 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.4 O=CCCC(F)F Amb25848573 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.4 O=CCCC(O)C Amb17593090 [1,0,0,0,0,0|0,0,2]=3 490 B6R0.4 O=CCOC(=O)C Amb10070247 [1,0,0,0,0,0|1,0,0]=2 491 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,0]=2 492 B6R0.4 O=CNN=C(C)C Amb2419224 [1,0,0,0,0,0|3,0,0]=4 493 B6R0.4 OC(=O)CCC=O Amb17673897 [1,0,0,0,0,0|0,0,0]=1 494 B6R0.4 OC(=O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,1]=3 495 B6R0.4 OC(=O)CCCP Amb24717184 [1,0,0,0,0,0|1,0,1]=3 496 B6R0.4 OC(=O)CCNCl Amb24437846 [1,0,0,0,0,0|2,0,0]=3 497 B6R0.4 OC(=O)CN=C=S Amb25024397 [1,0,0,0,0,0|1,1,1]=4 498 B6R0.4 OC(=O)CSN=O Amb24368923 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [1,0,0,0,0,0|1,0,1]=3 500 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.4 OC(=O)C\C=C\I Amb24507704 [1,0,0,0,0,0|1,0,1]=3 502 B6R0.4 OC(=O)\C=C\I=O Amb25075597 [1,0,0,0,0,0|1,0,2]=4 503 B6R0.4 OCCCC(=O)O Amb17615189 [1,0,0,0,0,0|0,0,2]=3 504 B6R0.4 OCCCC(N)C Amb17569888 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.4 OCCCC(O)=O Amb18640332 [1,0,0,0,0,0|0,0,2]=3 506 B6R0.4 OCCOC(=O)S Amb25106059 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.4 ON=NCC(O)=O Amb25204101 [1,0,0,0,0,0|2,0,1]=4 508 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [1,0,0,0,0,0|0,0,2]=3 509 B6R0.4 SCCCC(=O)O Amb16185429 [1,0,0,0,0,0|0,1,1]=3 510 B6R0.4 [C-]#[N+]CCC(N)=O Amb24411954 [1,0,0,0,0,0|2,0,1]=4 511 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.4 [O-][N+](=O)CCC=O Amb24052990 [1,0,0,0,0,0|1,0,1]=3 513 B6R0.4 [O-][N+](=O)CCCO Amb20247690 [1,0,0,0,0,0|2,0,1]=4 514 B8R0.9 BC(=O)NCC(=O)OC Amb22343192 [0,1,0,0,0,0|2,0,0]=3 515 B8R0.9 BC(=O)NCC(=O)OC Amb25264831 [0,1,0,0,0,0|2,0,0]=3 516 B8R0.9 BOC(O)=CCC(O)=O Amb25179903 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.9 C#CC(=O)NCC(N)=O Amb24732631 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.9 C#CC(N)CCC(O)=O Amb22352566 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.9 C=C(Br)CNC(=O)CBr Amb23570568 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.9 C=C(Br)CNC(=O)CCl Amb23570567 [0,1,0,0,0,0|3,0,0]=4 521 B8R0.9 C=C(Br)CNC(=O)CN Amb23570566 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.9 C=C(CCC(=C)Cl)CBr Amb24655758 [0,1,0,0,0,0|3,0,0]=4 523 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.9 C=C(CCC(O)=O)C#N Amb24465180 [0,1,0,0,0,0|1,0,1]=3 525 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [0,1,0,0,0,0|1,0,1]=3 526 B8R0.9 C=C(Cl)CNC(=O)CCl Amb25299176 [0,1,0,0,0,0|3,0,0]=4 527 B8R0.9 C=C(Cl)COC(=O)CBr Amb25742540 [0,1,0,0,0,0|3,0,0]=4 528 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [0,1,0,0,0,0|0,0,1]=2 529 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [0,1,0,0,0,0|0,0,3]=4 531 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.9 CC(=C)CCC(=C)CBr Amb24495609 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.9 CC(=C)CCC(N)CO Amb25775333 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.9 CC(=C)CCC(O)CBr Amb25101568 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.9 CC(=C)CCC(O)CCl Amb25378826 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.9 CC(=C)CC[C@@H](O)C=C Amb24733257 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.9 CC(=C)CC[C@@H](O)CO Amb25099425 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.9 CC(=C)CC[C@H](O)CO Amb24732167 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.9 CC(=C)CNC(=O)C#C Amb24481871 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.9 CC(=C)CNC(=O)C=C Amb24594709 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.9 CC(=C)CNC(=O)CBr Amb24411635 [0,1,0,0,0,0|3,0,0]=4 542 B8R0.9 CC(=C)CNC(=O)CCl Amb25178055 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.9 CC(=C)CNC(=O)CI Amb24082572 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.9 CC(=C)CNC(=O)NC Amb25662508 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.9 CC(=C)CNC(=O)NN Amb24461633 [0,1,0,0,0,0|3,0,0]=4 546 B8R0.9 CC(=C)COC(=O)C=C Amb17934090 [0,1,0,0,0,0|3,0,0]=4 547 B8R0.9 CC(=C)COC(=O)CC Amb25345772 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.9 CC(=C)COC(=O)NN Amb24449248 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.9 CC(=C)CSC(=O)NC Amb24598440 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.9 CC(=C)CSC(=S)OC Amb25369291 [0,1,0,0,0,0|2,1,0]=4 551 B8R0.9 CC(=CCC(O)=O)C#N Amb25175102 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.9 CC(=CCl)OCC(C)=O Amb25233389 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.9 CC(=CCl)\C=C\C(O)=O Amb24397298 [0,1,0,0,0,0|1,0,2]=4 554 B8R0.9 CC(=N)SCC(=O)CCl Amb24113053 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.9 CC(=O)C#CC(=O)OC Amb25031911 [0,1,0,0,0,0|0,0,2]=3 556 B8R0.9 CC(=O)C=CC(=O)C=C Amb24061722 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.9 CC(=O)CCC(=C)C#N Amb25086729 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [0,1,0,0,0,0|1,0,0]=2 559 B8R0.9 CC(=O)CCC(=C)CC Amb24433642 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [0,1,0,0,0,0|1,0,0]=2 561 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [0,1,0,0,0,0|0,0,1]=2 562 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,1,0,0,0,0|1,0,0]=2 563 B8R0.9 CC(=O)CCC(Br)CCl Amb24480346 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [0,1,0,0,0,0|1,0,1]=3 565 B8R0.9 CC(=O)CCC(Cl)CO Amb25274671 [0,1,0,0,0,0|1,0,1]=3 566 B8R0.9 CC(=O)CCC(F)CBr Amb25201516 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,1,0,0,0,0|1,0,1]=3 568 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [0,1,0,0,0,0|1,0,1]=3 569 B8R0.9 CC(=O)CCC(O)C=C Amb24614737 [0,1,0,0,0,0|1,0,1]=3 570 B8R0.9 CC(=O)CCC(O)CCl Amb25118823 [0,1,0,0,0,0|1,0,1]=3 571 B8R0.9 CC(=O)CNC(=O)C=C Amb25162799 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.9 CC(=O)CNC(=O)CC Amb25292227 [0,1,0,0,0,0|2,0,0]=3 573 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.9 CC(=O)CNC(=O)NC Amb25228227 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.9 CC(=O)COC(=O)C=O Amb18642738 [0,1,0,0,0,0|1,0,1]=3 576 B8R0.9 CC(=O)COC(=O)OC Amb25177471 [0,1,0,0,0,0|1,0,0]=2 577 B8R0.9 CC(=O)CSC(=O)OC Amb25318847 [0,1,0,0,0,0|1,0,0]=2 578 B8R0.9 CC(=O)CSC(Cl)=CCl Amb24677761 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.9 CC(=O)CS\C(\N)=N\N Amb24763741 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.9 CC(=O)C\C=C(/C)\C=C Amb25198446 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.9 CC(=O)C\C=C(\C)/C=C Amb24686521 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.9 CC(=O)NCC(=C)C#N Amb18642197 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.9 CC(=O)NCC(=O)CBr Amb24590234 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.9 CC(=O)NCC(=O)CC Amb23555728 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|1,0,0]=2 587 B8R0.9 CC(=O)NCC(=S)OC Amb25041236 [0,1,0,0,0,0|1,1,0]=3 588 B8R0.9 CC(=O)NCC(N)=NN Amb24680987 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.9 CC(=O)NCC(N)CO Amb25276356 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.9 CC(=O)NCC(O)CCl Amb22235217 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.9 CC(=O)NCC(O)CN Amb25139837 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.9 CC(=O)NCC(O)CO Amb24359036 [0,1,0,0,0,0|1,0,2]=4 593 B8R0.9 CC(=O)NC[C@@H](O)CCl Amb22746506 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.9 CC(=O)NC[C@H](O)CCl Amb25760218 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.9 CC(=O)NC\C(\N)=N/O Amb19650814 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.9 CC(=O)NC\C(\N)=N\O Amb21912454 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.9 CC(=O)NNC(=O)CBr Amb19957358 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.9 CC(=O)NNC(=O)CCl Amb1154170 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.9 CC(=O)NNC(=O)CI Amb25770653 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.9 CC(=O)NNC(=O)CN Amb17334122 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.9 CC(=O)NNC(=O)OC Amb24677256 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.9 CC(=O)N\C=C(\C)/C=O Amb18642508 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.9 CC(=O)OCC(=C)C=O Amb25050286 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.9 CC(=O)OCC(=C)CBr Amb25685305 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.9 CC(=O)OCC(=C)CC Amb24571642 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.9 CC(=O)OCC(=C)CCl Amb24409101 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.9 CC(=O)OCC(=O)C=C Amb17607380 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.9 CC(=O)OCC(=O)CS Amb24456592 [0,1,0,0,0,0|1,1,0]=3 611 B8R0.9 CC(=O)OCC(CCl)O Amb17593815 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.9 CC(=O)OCC(O)CBr Amb24443015 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.9 CC(=O)OCC(O)CF Amb24386984 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [0,1,0,0,0,0|1,0,2]=4 615 B8R0.9 CC(=O)OCN(C)N=O Amb22732377 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.9 CC(=O)OC[C@@H](O)CBr Amb25232647 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.9 CC(=O)OC[C@H](O)C=C Amb24395445 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.9 CC(=O)ONC(=O)CC Amb22232333 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.9 CC(=O)ONC(=O)CO Amb24431913 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.9 CC(=O)O\C=C(/Br)\C=O Amb25785618 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.9 CC(=O)O\C=C(/C)\C=O Amb24426274 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.9 CC(=O)O\C=C(/F)\C=O Amb25132702 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.9 CC(=O)SCC(N)CO Amb25245383 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.9 CC(=O)SCC(O)CO Amb25105864 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.9 CC(=O)\C=C/C(=O)C=O Amb25756958 [0,1,0,0,0,0|0,0,3]=4 626 B8R0.9 CC(=O)\C=C/C(=O)CC Amb24649767 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.9 CC(=O)\C=C/C(=O)OC Amb25031885 [0,1,0,0,0,0|0,0,2]=3 628 B8R0.9 CC(=O)\C=C/C(C)=S=O Amb25318848 [0,1,0,0,0,0|1,0,2]=4 629 B8R0.9 CC(=O)\C=C/C(O)C=O Amb24478568 [0,1,0,0,0,0|0,0,3]=4 630 B8R0.9 CC(=O)\C=C\C(=O)C=O Amb18642365 [0,1,0,0,0,0|0,0,3]=4 631 B8R0.9 CC(=O)\C=C\C(=O)CO Amb24686389 [0,1,0,0,0,0|0,0,2]=3 632 B8R0.9 CC(=O)\C=C\C(=O)OC Amb22336182 [0,1,0,0,0,0|0,0,2]=3 633 B8R0.9 CC(C#C)OCC(O)=O Amb25092433 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.9 CC(C#N)NCC(O)=O Amb18293465 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.9 CC(C#N)SCC(O)=O Amb18293809 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.9 CC(C)=CCC(=C)C=O Amb25092965 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.9 CC(C)=CNC(=O)OC Amb25146144 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.9 CC(C)CCC(=O)C=C Amb25341966 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.9 CC(C)CCC(=O)CBr Amb24374602 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.9 CC(C)CCC(=O)CCl Amb20668816 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,1,0,0,0,0|1,0,1]=3 642 B8R0.9 CC(C)CCC(C)=NO Amb25235824 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.9 CC(C)CCC(O)C=O Amb24607253 [0,1,0,0,0,0|1,0,2]=4 644 B8R0.9 CC(C)CC\C(\C)=N/O Amb24547350 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.9 CC(C)CC\C(\C)=N\O Amb22732538 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.9 CC(C)COC(=O)NO Amb24481916 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.9 CC(C)SCC(=O)NO Amb25741291 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.9 CC(C=C)NCC(O)=O Amb18310594 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.9 CC(C=C)OCC(O)=O Amb18642764 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.9 CC(C=C)SCC(O)=O Amb18311113 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.9 CC(CBr)CCC(O)=O Amb25806134 [0,1,0,0,0,0|1,0,1]=3 652 B8R0.9 CC(CC)=C=CC(O)=O Amb25378500 [0,1,0,0,0,0|1,0,2]=4 653 B8R0.9 CC(CCC(=C)Cl)C=O Amb24532891 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.9 CC(CCC(C)=C)C=O Amb18642470 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.9 CC(CCC(C)=O)=CCl Amb24581923 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [0,1,0,0,0,0|1,0,0]=2 657 B8R0.9 CC(CCC(C)=O)C#N Amb18642304 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [0,1,0,0,0,0|1,0,1]=3 659 B8R0.9 CC(CCC(C)O)C=O Amb25781383 [0,1,0,0,0,0|1,0,2]=4 660 B8R0.9 CC(CCC(N)=O)C#N Amb25146074 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.9 CC(CCC(N)=O)CN Amb24745140 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [0,1,0,0,0,0|1,0,0]=2 663 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [0,1,0,0,0,0|0,0,1]=2 664 B8R0.9 CC(CCC(O)=O)C#N Amb18642500 [0,1,0,0,0,0|1,0,1]=3 665 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [0,1,0,0,0,0|1,0,1]=3 666 B8R0.9 CC(CC\C(=N/O)\N)C Amb10608991 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.9 CC(CC\C(=N\O)\N)C Amb10205331 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.9 CC(CN)CCC(O)=O Amb22059189 [0,1,0,0,0,0|1,0,1]=3 669 B8R0.9 CC(CN)OCC(O)=O Amb18629591 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.9 CC(CNC(=O)CBr)O Amb17322852 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.9 CC(CNC(=O)CCl)O Amb17324265 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.9 CC(CO)CCC(C)=C Amb24389869 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.9 CC(CO)CNC(C)=O Amb25050315 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.9 CC(CO)CSC(C)=O Amb24466300 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.9 CC(CO)OCC(O)=O Amb25675017 [0,1,0,0,0,0|1,0,2]=4 676 B8R0.9 CC(CO)SCC(C)=O Amb25195670 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.9 CC(CO)SCC(O)=O Amb18644427 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.9 CC(COC(C)=O)C=O Amb18642789 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.9 CC(CSC(C)=O)=CCl Amb24634070 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.9 CC(N)CCC(=O)C#C Amb24401215 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,1,0,0,0,0|1,0,2]=4 682 B8R0.9 CC(O)CCC(C)=CCl Amb25762077 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.9 CC(O)CCC(C)=NO Amb24749620 [0,1,0,0,0,0|1,0,2]=4 684 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [0,1,0,0,0,0|0,0,3]=4 685 B8R0.9 CC(O)CNC(=O)CO Amb25703101 [0,1,0,0,0,0|1,0,2]=4 686 B8R0.9 CC(O)CNC(=O)CS Amb24744011 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.9 CC(O)COC(=O)CBr Amb25253067 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.9 CC(ON)CNC(=O)C Amb17138377 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.9 CC(\C=C\C(C)=O)=NO Amb24513914 [0,1,0,0,0,0|1,0,2]=4 690 B8R0.9 CCC(=O)CCB(O)O Amb24736642 [0,1,0,0,0,0|1,0,1]=3 691 B8R0.9 CCC(=O)CCC(=O)C Amb17593347 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.9 CCC(=O)CCC(=O)Cl Amb24420925 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|0,0,0]=1 694 B8R0.9 CCC(=O)CCC(C)Cl Amb24571703 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.9 CCC(=O)CCC(Cl)Cl Amb24711496 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.9 CCC(=O)CCC(N)=O Amb24669836 [0,1,0,0,0,0|1,0,0]=2 697 B8R0.9 CCC(=O)CCN(C)C Amb24444934 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.9 CCC(=O)CCP(O)=O Amb24748238 [0,1,0,0,0,0|1,0,0]=2 699 B8R0.9 CCC(=O)CC[N+]([O-])=O Amb25236332 [0,1,0,0,0,0|1,0,1]=3 700 B8R0.9 CCC(=O)NCC(=C)Cl Amb25346537 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.9 CCC(=O)NCC(=O)N Amb17231864 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|1,0,0]=2 703 B8R0.9 CCC(=O)NCC(=S)N Amb17232011 [0,1,0,0,0,0|2,1,0]=4 704 B8R0.9 CCC(=O)NC[C@@H](C)O Amb25297640 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [0,1,0,0,0,0|1,0,0]=2 706 B8R0.9 CCC(=O)\C=C\C(O)=O Amb18642585 [0,1,0,0,0,0|0,0,2]=3 707 B8R0.9 CCC(=S)SCC(O)=O Amb24480232 [0,1,0,0,0,0|1,1,0]=3 708 B8R0.9 CCC(Br)CCC(=O)Cl Amb25352038 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.9 CCC(Br)CCC(C)=O Amb24480025 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.9 CCC(C)=CCC(C)=O Amb24736154 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.9 CCC(C)CCC(C)=O Amb22229980 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.9 CCC(C)CCC(O)=O Amb22352932 [0,1,0,0,0,0|1,0,1]=3 713 B8R0.9 CCC(C)OCC(O)=O Amb18307944 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.9 CCC(Cl)=CCC(O)=O Amb24580821 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.9 CCC(Cl)CCC(=O)Cl Amb24524189 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.9 CCC(N)CCC(O)=O Amb21961489 [0,1,0,0,0,0|1,0,1]=3 717 B8R0.9 CCC(O)CCC(C)=C Amb25073903 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.9 CCC(O)CCC(C)=O Amb24586292 [0,1,0,0,0,0|1,0,1]=3 719 B8R0.9 CCC(O)CNC(C)=O Amb24715716 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.9 CCC(O)NCC(O)=O Amb24445948 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.9 CCS(=O)CCC(C)=O Amb25765620 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.9 CCS(=O)NCC(C)=O Amb25177389 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.9 CC[C@@H](C)CCC(C)=O Amb24749043 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.9 CC[C@@H](N)CCC(O)=O Amb25065764 [0,1,0,0,0,0|1,0,1]=3 725 B8R0.9 CC[C@H](C)NCC(O)=O Amb25076151 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.9 CC[C@H](C)OCC(O)=O Amb25320561 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.9 CC[C@H](N)CCC(O)=O Amb25835678 [0,1,0,0,0,0|1,0,1]=3 728 B8R0.9 CC[C@H](O)CCC(N)=O Amb25785287 [0,1,0,0,0,0|1,0,2]=4 729 B8R0.9 CC[S+](C)CCC(O)=O Amb25794477 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.9 CC\C(\C)=C/CC(C)=O Amb24333826 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.9 CC\C(\C)=C\CC(C)=O Amb25773428 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.9 CN(C)CCC(=O)CS Amb25217335 [0,1,0,0,0,0|2,1,0]=4 733 B8R0.9 CN(CCC(N)=O)C=O Amb25146008 [0,1,0,0,0,0|2,0,0]=3 734 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [0,1,0,0,0,0|1,0,0]=2 735 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [0,1,0,0,0,0|1,0,0]=2 736 B8R0.9 CN(CCS(C)=O)C=O Amb24716324 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.9 CN(CNC(N)=O)N=O Amb24424786 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.9 CNC(=N)NCC(O)=O Amb24655458 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.9 CNC(=N)SCC(O)=O Amb24403395 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.9 CNC(=O)CCC(=O)C Amb17334107 [0,1,0,0,0,0|1,0,0]=2 741 B8R0.9 CNC(=O)CCC(=O)N Amb17334114 [0,1,0,0,0,0|1,0,0]=2 742 B8R0.9 CNC(=O)CCC(C)Cl Amb25851798 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.9 CNC(=O)CCC(C)N Amb24477857 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.9 CNC(=O)CCC(O)C Amb17334125 [0,1,0,0,0,0|1,0,1]=3 745 B8R0.9 CNC(=O)CCN(C)C Amb24735586 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.9 CNC(=O)CCS(C)=O Amb24476726 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.9 CNC(=O)CNC(O)=O Amb24740399 [0,1,0,0,0,0|1,0,0]=2 748 B8R0.9 CNC(=O)CSC(N)=N Amb25106852 [0,1,0,0,0,0|3,0,0]=4 749 B8R0.9 CNC(=O)NCC(=C)Br Amb25185103 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|1,0,0]=2 751 B8R0.9 CNC(=O)NCC(N)=N Amb25114509 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.9 CNC(=O)NCC(N)=O Amb24481795 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.9 CNC(=O)NCS([O-])=O Amb24547022 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.9 CNC(=O)NOC(N)=O Amb25672371 [0,1,0,0,0,0|3,0,0]=4 755 B8R0.9 CNC(=O)SCC(O)=O Amb24763198 [0,1,0,0,0,0|1,0,0]=2 756 B8R0.9 CNC(=S)SCC(O)=O Amb24649902 [0,1,0,0,0,0|1,1,0]=3 757 B8R0.9 CNC(C)CCC(O)=O Amb25339418 [0,1,0,0,0,0|1,0,1]=3 758 B8R0.9 COC(=N)CCN(C)C Amb25278317 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.9 COC(=N)CNC(N)=O Amb24515695 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.9 COC(=O)C#CC(O)=O Amb22492669 [0,1,0,0,0,0|0,0,2]=3 761 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [0,1,0,0,0,0|0,0,0]=1 763 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,1,0,0,0,0|1,0,1]=3 764 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,1,0,0,0,0|1,0,1]=3 765 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.9 COC(=O)CCC(Cl)Cl Amb25295532 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,1,0,0,0,0|1,1,0]=3 769 B8R0.9 COC(=O)CCS([O-])=O Amb21520328 [0,1,0,0,0,0|1,0,1]=3 770 B8R0.9 COC(=O)CC[C@@H](C)Cl Amb24480241 [0,1,0,0,0,0|1,0,1]=3 771 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,1,0,0,0,0|1,0,1]=3 772 B8R0.9 COC(=O)CC[C@@H](C)O Amb22388487 [0,1,0,0,0,0|0,0,2]=3 773 B8R0.9 COC(=O)CC[C@H](C)O Amb24351118 [0,1,0,0,0,0|0,0,2]=3 774 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [0,1,0,0,0,0|2,0,0]=3 775 B8R0.9 COC(=O)CNN(C)C Amb24693623 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.9 COC(=O)CNS(C)=O Amb24536728 [0,1,0,0,0,0|2,0,0]=3 777 B8R0.9 COC(=O)CSC(C)O Amb25032211 [0,1,0,0,0,0|1,0,2]=4 778 B8R0.9 COC(=O)CSC(N)=N Amb20676059 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [0,1,0,0,0,0|2,0,0]=3 780 B8R0.9 COC(=O)NCC(C)C Amb17861777 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.9 COC(=O)NCC(N)=N Amb24436947 [0,1,0,0,0,0|3,0,0]=4 782 B8R0.9 COC(=O)NC[C@H](C)O Amb25111936 [0,1,0,0,0,0|1,0,2]=4 783 B8R0.9 COC(=O)OCC(C)C Amb24416487 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb25060248 [0,1,0,0,0,0|1,0,2]=4 785 B8R0.9 COC(=O)\C=C\C(=O)O Amb10071357 [0,1,0,0,0,0|0,0,2]=3 786 B8R0.9 COC(=O)\C=C\C(N)=O Amb24458702 [0,1,0,0,0,0|1,0,2]=4 787 B8R0.9 COC(=O)\C=C\C([O-])=O Amb24121535 [0,1,0,0,0,0|0,0,3]=4 788 B8R0.9 COC(=S)NCC(O)=O Amb25146013 [0,1,0,0,0,0|1,1,0]=3 789 B8R0.9 COC(C)CCC(O)=O Amb24271104 [0,1,0,0,0,0|0,0,2]=3 790 B8R0.9 COC(C)CNC(C)=O Amb24574997 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.9 COC(C)COC(C)=O Amb22734341 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.9 COC(C)OCC(C)=O Amb24378350 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.9 COC(C)OCC(O)=O Amb24417299 [0,1,0,0,0,0|1,0,2]=4 794 B8R0.9 CON(C)CCC(C)=C Amb24718119 [0,1,0,0,0,0|3,0,0]=4 795 B8R0.9 COP(O)CCC(O)=O Amb22734636 [0,1,0,0,0,0|1,0,1]=3 796 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [0,1,0,0,0,0|0,0,2]=3 797 B8R0.9 CSC(=O)CCC(C)C Amb25743840 [0,1,0,0,0,0|1,1,1]=4 798 B8R0.9 CSC(=S)OCC(O)=O Amb25065342 [0,1,0,0,0,0|1,1,0]=3 799 B8R0.9 CSC(=S)SCC(O)=O Amb24479938 [0,1,0,0,0,0|1,1,0]=3 800 B8R0.9 CSC(C)CCC(O)=O Amb22059071 [0,1,0,0,0,0|0,1,1]=3 801 B8R0.9 C[C@@H](CBr)CCC(O)=O Amb24458738 [0,1,0,0,0,0|1,0,1]=3 802 B8R0.9 C[C@@H](CC)CCC(=O)O Amb16231507 [0,1,0,0,0,0|1,0,1]=3 803 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [0,1,0,0,0,0|1,0,1]=3 804 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [0,1,0,0,0,0|1,0,1]=3 805 B8R0.9 C[C@@H](CO)NCC(C)=O Amb24693447 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.9 C[C@H](CCC(O)=O)C#C Amb25250566 [0,1,0,0,0,0|1,0,1]=3 807 B8R0.9 C[C@H](CO)COC(C)=O Amb25846526 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.9 C[C@H](O)CCC(=O)NN Amb24395110 [0,1,0,0,0,0|1,0,2]=4 809 B8R0.9 C[C@H](O)CCC(C)=C=C Amb25256642 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.9 C[C@H](O)CNC(=O)CBr Amb24567754 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.9 C\C(=C/CC(C)=O)\C#C Amb25767766 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.9 C\C(=C/CC(C)=O)\C#N Amb25735739 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.9 C\C(=C\Cl)\OCC(C)=O Amb25061238 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [0,1,0,0,0,0|1,0,1]=3 815 B8R0.9 C\C(\C=CC(O)=O)=N\O Amb24640839 [0,1,0,0,0,0|0,0,3]=4 816 B8R0.9 C\C(\C=C\C(C)=O)=N/O Amb25243565 [0,1,0,0,0,0|1,0,2]=4 817 B8R0.9 C\C(\C=C\C(O)=O)=C/C Amb18642399 [0,1,0,0,0,0|1,0,2]=4 818 B8R0.9 C\C(\C=O)=C\CC(C)=C Amb18642231 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.9 C\C(\CC)=C/CC(O)=O Amb22011800 [0,1,0,0,0,0|1,0,1]=3 820 B8R0.9 C\C(\CCC(C)=O)=C/C Amb25768510 [0,1,0,0,0,0|2,0,0]=3 821 B8R0.9 C\C(\CCC(C)=O)=C\C Amb24610198 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [0,1,0,0,0,0|1,0,0]=2 823 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [0,1,0,0,0,0|1,0,0]=2 824 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [0,1,0,0,0,0|1,0,0]=2 825 B8R0.9 C\C(\COC(=O)Cl)=C\Cl Amb24480147 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.9 C\C(\COC(C)=O)=C/Br Amb25200999 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.9 C\C(\Cl)=C\CC(=O)CC Amb25377805 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.9 C\C(\N)=N\OC(=O)OC Amb25728140 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [0,1,0,0,0,0|1,0,0]=2 830 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [0,1,0,0,0,0|1,0,0]=2 831 B8R0.9 C\C=C(\C)/CCC(C)O Amb24646058 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [0,1,0,0,0,0|1,0,0]=2 833 B8R0.9 NC(=O)CCC(=O)N=O Amb24445359 [0,1,0,0,0,0|1,0,1]=3 834 B8R0.9 NC(=O)CCC(=O)NBr Amb24390936 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.9 NC(=O)CCC(=O)NCl Amb24425513 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [0,1,0,0,0,0|1,0,0]=2 837 B8R0.9 NC(=O)CNC(=O)CBr Amb25201255 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.9 NC(=O)CNC(=O)CN Amb22730172 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.9 NC(=O)CNC(=O)CN Amb22734748 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.9 NC(=O)CNC(=O)CS Amb24405222 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [0,1,0,0,0,0|2,0,0]=3 842 B8R0.9 NC(=O)NCC(=O)NN Amb24477825 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [0,1,0,0,0,0|1,0,2]=4 845 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [0,1,0,0,0,0|1,0,1]=3 846 B8R0.9 NC(CF)CCC(N)=O Amb24599972 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.9 NC(CF)CCC(O)=O Amb19148378 [0,1,0,0,0,0|1,0,1]=3 848 B8R0.9 NC(NCC(N)=O)=NO Amb25759831 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [0,1,0,0,0,0|0,0,0]=1 851 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|1,0,0]=2 852 B8R0.9 NCC(=O)NCP(O)O Amb24424485 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [0,1,0,0,0,0|1,0,0]=2 854 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [0,1,0,0,0,0|0,0,0]=1 855 B8R0.9 NCC(=S)NCC(O)=O Amb25077168 [0,1,0,0,0,0|1,1,0]=3 856 B8R0.9 NCC(N)CCC(O)=O Amb19328773 [0,1,0,0,0,0|1,0,1]=3 857 B8R0.9 NCC(O)CCC(N)=O Amb24340194 [0,1,0,0,0,0|1,0,2]=4 858 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [0,1,0,0,0,0|0,0,2]=3 859 B8R0.9 NCC(O)CCP(O)=O Amb24760103 [0,1,0,0,0,0|1,0,2]=4 860 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [0,1,0,0,0,0|0,0,2]=3 861 B8R0.9 NNC(=N)NCC(O)=O Amb24477722 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [0,1,0,0,0,0|1,0,0]=2 863 B8R0.9 NNC(=O)CNC(O)=O Amb25093417 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.9 NNC(=O)\C=C/C(O)=O Amb25046308 [0,1,0,0,0,0|1,0,2]=4 865 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [0,1,0,0,0,0|0,0,0]=1 866 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [0,1,0,0,0,0|1,0,1]=3 868 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [0,1,0,0,0,0|1,0,1]=3 869 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [0,1,0,0,0,0|1,0,2]=4 870 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [0,1,0,0,0,0|1,0,1]=3 871 B8R0.9 N[C@H](CF)CCC(O)=O Amb25339395 [0,1,0,0,0,0|1,0,1]=3 872 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.9 N[C@H](CS)CCC(O)=O Amb25348403 [0,1,0,0,0,0|1,0,1]=3 874 B8R0.9 O=C(CCl)CC=C(Cl)Cl Amb24635418 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.9 O=C(Cl)COC(=O)CCl Amb24339381 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [0,1,0,0,0,0|1,0,0]=2 877 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [0,1,0,0,0,0|0,0,1]=2 878 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [0,1,0,0,0,0|0,0,0]=1 879 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|0,0,0]=1 880 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [0,1,0,0,0,0|0,0,0]=1 881 B8R0.9 OC(=O)CCC(Br)CBr Amb24575822 [0,1,0,0,0,0|1,0,1]=3 882 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [0,1,0,0,0,0|1,0,2]=4 883 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|1,0,0]=2 886 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,0]=2 887 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|1,0,0]=2 889 B8R0.9 OC(=O)\C=C\C(=O)CBr Amb25718709 [0,1,0,0,0,0|0,0,2]=3 890 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [0,1,0,0,0,0|0,0,2]=3 891 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22337964 [0,1,0,0,0,0|1,0,2]=4 892 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22338796 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [0,1,0,0,0,0|1,0,1]=3 894 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [0,1,0,0,0,0|0,0,2]=3 895 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [0,1,0,0,0,0|0,0,2]=3 896 B8R0.9 ONC(=O)/C=C\C(O)=O Amb17673396 [0,1,0,0,0,0|1,0,2]=4 897 B8R0.9 ONC(=O)CCC(F)F Amb24414532 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.9 O\N=C(\CCN(C)C)/N Amb1118599 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [0,1,0,0,0,0|1,0,1]=3 900 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,1,0,0,0,0|1,0,1]=3 901 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,1,0,0,0,0|1,0,1]=3 902 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,1,0,0,0,0|1,0,1]=3 903 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,1,0,0,0,0|1,0,1]=3 904 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,1,0,0,0,0|1,0,1]=3 906 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 907 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,1,0,0,0,0|1,0,2]=4 908 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,1,0,0,0,0|1,0,2]=4 909 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,1,0,0,0,0|1,0,2]=4 910 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,1,0,0,0,0|1,0,1]=3 912 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,1,0,0,0,0|1,0,1]=3 913 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,1,0,0,0,0|1,0,1]=3 914 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,1,0,0,0,0|1,0,0]=2 915 B8R0.23 CC(=C)C(Cl)CC(C)=C Amb24479956 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.23 CC(=C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,1,0,0,0,0|1,0,0]=2 918 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,1,0,0,0,0|1,0,1]=3 919 B8R0.23 CC(=C)CC(C)C(N)=O Amb24475657 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,1,0,0,0,0|1,0,0]=2 921 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,1,0,0,0,0|1,0,0]=2 922 B8R0.23 CC(=C)CN(C)C(N)=O Amb25734583 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,1,0,0,0,0|1,0,0]=2 924 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,1,0,0,0,0|1,0,0]=2 925 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,1,0,0,0,0|1,0,0]=2 926 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,1,0,0,0,0|1,0,0]=2 927 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,1,0,0,0,0|1,0,0]=2 928 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,1,0,0,0,0|1,0,2]=4 929 B8R0.23 CC(=O)C(=C)NC(C)=O Amb24096350 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,1,0,0,0,0|1,0,1]=3 931 B8R0.23 CC(=O)C(=O)NC(N)=O Amb24411479 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.23 CC(=O)C(C)=NC(C)=O Amb25349449 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,1,0,0,0,0|0,0,0]=1 934 B8R0.23 CC(=O)C(C)OC(=O)Cl Amb24721759 [0,1,0,0,0,0|2,0,0]=3 935 B8R0.23 CC(=O)C(C)SC(C)=O Amb25833387 [0,1,0,0,0,0|2,0,0]=3 936 B8R0.23 CC(=O)C(Cl)C=C(Cl)Cl Amb24479967 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,1,0,0,0,0|0,0,0]=1 938 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|1,0,0]=2 939 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [0,1,0,0,0,0|0,0,2]=3 940 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,1,0,0,0,0|0,0,0]=1 941 B8R0.23 CC(=O)C(O)CN(C)C Amb24571624 [0,1,0,0,0,0|3,0,0]=4 942 B8R0.23 CC(=O)CC(=O)C(C)=C Amb17934088 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,1,0,0,0,0|0,0,1]=2 944 B8R0.23 CC(=O)CC(=O)N(C)O Amb24096670 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,1,0,0,0,0|0,0,0]=1 946 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,1,0,0,0,0|0,1,0]=2 947 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,1,0,0,0,0|0,0,0]=1 948 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,1,0,0,0,0|0,0,0]=1 949 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,1,0,0,0,0|0,0,0]=1 950 B8R0.23 CC(=O)C[C@@H](C)C(C)=C Amb25347412 [0,1,0,0,0,0|2,0,0]=3 951 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,1,0,0,0,0|0,0,0]=1 952 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,1,0,0,0,0|0,0,0]=1 953 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,1,0,0,0,0|0,0,0]=1 954 B8R0.23 CC(=O)N(C)CC(=C)Br Amb25180872 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.23 CC(=O)N(C)CC(C)=C Amb24481797 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.23 CC(=O)NC(C(=O)N)N Amb10558230 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.23 CC(=O)NC(C(=S)N)C Amb17399904 [0,1,0,0,0,0|2,1,0]=4 958 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,1,0,0,0,0|1,0,0]=2 959 B8R0.23 CC(=O)NN(C)C(N)=O Amb24449373 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl Amb25032144 [0,1,0,0,0,0|2,0,0]=3 961 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.23 CC(=O)N[C@H](C)C(N)=O Amb24478101 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,1,0,0,0,0|1,0,0]=2 964 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,1,0,0,0,0|1,0,0]=2 965 B8R0.23 CC(=O)O[C@@H](C)C(N)=O Amb25733380 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,1,0,0,0,0|0,0,0]=1 968 B8R0.23 CC(=O)[C@@H](C)OC(C)=O Amb25205804 [0,1,0,0,0,0|2,0,0]=3 969 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,1,0,0,0,0|0,0,0]=1 970 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,1,0,0,0,0|0,0,0]=1 971 B8R0.23 CC(=O)[C@H](C)NC(C)=O Amb24072918 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.23 CC(=O)\C(\C)=C/C(C)=O Amb24447751 [0,1,0,0,0,0|1,0,2]=4 973 B8R0.23 CC(=O)\C(\C)=C\C(C)=O Amb25773462 [0,1,0,0,0,0|1,0,2]=4 974 B8R0.23 CC(=O)\C(\C)=C\C(O)=O Amb22359749 [0,1,0,0,0,0|0,0,2]=3 975 B8R0.23 CC(=O)\C(\C)=N/C(C)=O Amb24072927 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,1,0,0,0,0|0,0,2]=3 977 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,1,0,0,0,0|0,0,2]=3 978 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,1,0,0,0,0|0,0,2]=3 979 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,1,0,0,0,0|0,0,2]=3 980 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,1,0,0,0,0|0,1,0]=2 981 B8R0.23 CC(=S)N[C@@H](C)C(O)=O Amb24529119 [0,1,0,0,0,0|1,1,0]=3 982 B8R0.23 CC(C(=O)N)CN(C)C Amb17231865 [0,1,0,0,0,0|3,0,0]=4 983 B8R0.23 CC(C(=O)O)NC(C)C Amb10199874 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.23 CC(C(=O)O)NC(C)C Amb1110769 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.23 CC(C(=O)O)OC(C)C Amb10607866 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.23 CC(C(C)C)CC(=O)O Amb10844380 [0,1,0,0,0,0|1,0,1]=3 987 B8R0.23 CC(C)=C(Br)CC(N)=O Amb24478813 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,1,0,0,0,0|1,0,1]=3 989 B8R0.23 CC(C)=C(Cl)CC(N)=O Amb24679667 [0,1,0,0,0,0|2,0,1]=4 990 B8R0.23 CC(C)=CC(=O)C(O)=O Amb18642579 [0,1,0,0,0,0|1,0,2]=4 991 B8R0.23 CC(C)=CC(C)C(C)=O Amb25749549 [0,1,0,0,0,0|2,0,1]=4 992 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,1,0,0,0,0|1,0,1]=3 993 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,1,0,0,0,0|1,0,1]=3 994 B8R0.23 CC(C)C(=C)CC(O)=O Amb25074109 [0,1,0,0,0,0|1,0,2]=4 995 B8R0.23 CC(C)C(Br)CC(N)=O Amb25706465 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.23 CC(C)C(C)CC(C)=O Amb25835876 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.23 CC(C)C(C)CC(N)=O Amb25146130 [0,1,0,0,0,0|2,0,1]=4 998 B8R0.23 CC(C)C(Cl)CC(=O)Cl Amb24479955 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.23 CC(C)C(F)CC(O)=O Amb25854273 [0,1,0,0,0,0|1,0,1]=3 1000 B8R0.23 CC(C)C(N)CC(=O)Cl Amb24763731 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.23 CC(C)C(N)CC(=O)S Amb24477693 [0,1,0,0,0,0|1,1,1]=4 1002 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.23 CC(C)C(O)CC(C)=O Amb24079595 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.23 CC(C)C(O)CC(N)=O Amb24481942 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.23 CC(C)C(S)CC(C)=O Amb24736725 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.23 CC(C)CC(=C)C(O)=O Amb18642603 [0,1,0,0,0,0|1,0,2]=4 1007 B8R0.23 CC(C)CC(Br)C(N)=O Amb24423796 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.23 CC(C)CC(C)C(C)=O Amb24640121 [0,1,0,0,0,0|2,0,1]=4 1009 B8R0.23 CC(C)CC(C)C(N)=O Amb25733229 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.23 CC(C)CC(Cl)C(N)=O Amb24534175 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [0,1,0,0,0,0|1,0,1]=3 1013 B8R0.23 CC(C)CC(N)C(C)=O Amb18203220 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.23 CC(C)CC(N)C(C)=O Amb22899479 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,1,0,0,0,0|1,0,1]=3 1016 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,1,0,0,0,0|1,0,1]=3 1017 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [0,1,0,0,0,0|1,0,1]=3 1018 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,1,0,0,0,0|1,0,1]=3 1019 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,1,0,0,0,0|1,0,1]=3 1020 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,1,0,0,0,0|1,0,1]=3 1021 B8R0.23 CC(C)C[C@@H](Br)C(=O)Cl Amb25290167 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.23 CC(C)C[C@@H](Br)C(N)=O Amb25310991 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [0,1,0,0,0,0|1,0,1]=3 1024 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [0,1,0,0,0,0|1,0,1]=3 1025 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [0,1,0,0,0,0|1,0,1]=3 1026 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,1,0,0,0,0|1,0,1]=3 1028 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [0,1,0,0,0,0|1,0,1]=3 1029 B8R0.23 CC(C)C[C@H](Cl)C(N)=O Amb25145996 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [0,1,0,0,0,0|1,0,1]=3 1031 B8R0.23 CC(C)C[C@H](N)C(=O)Cl Amb25842766 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,1,0,0,0,0|1,0,1]=3 1033 B8R0.23 CC(C)C[C@H](O)C(N)=O Amb24548495 [0,1,0,0,0,0|2,0,1]=4 1034 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [0,1,0,0,0,0|1,0,1]=3 1035 B8R0.23 CC(C)SC(F)C(O)=O Amb24671129 [0,1,0,0,0,0|2,0,1]=4 1036 B8R0.23 CC(C)S[C@@H](C)C(O)=O Amb25108429 [0,1,0,0,0,0|2,0,1]=4 1037 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,1,0,0,0,0|1,0,1]=3 1038 B8R0.23 CC(C)[C@@H](O)CC(C)=O Amb25147078 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [0,1,0,0,0,0|1,0,1]=3 1040 B8R0.23 CC(C)[C@H](C)CC(C)=O Amb25188966 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,1,0,0,0,0|2,0,1]=4 1042 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,1,0,0,0,0|1,0,1]=3 1043 B8R0.23 CC(C)[C@H](O)CC(C)=O Amb25135567 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [0,1,0,0,0,0|1,0,1]=3 1045 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.23 CC(CC(C)=O)C(C)O Amb24339979 [0,1,0,0,0,0|1,0,1]=3 1047 B8R0.23 CC(CC(C)=O)S(C)=O Amb25712236 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [0,1,0,0,0,0|1,0,1]=3 1049 B8R0.23 CC(CC(C)O)C(C)=O Amb25682085 [0,1,0,0,0,0|1,0,1]=3 1050 B8R0.23 CC(CC(F)F)C(C)=O Amb24360266 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.23 CC(CC(F)F)C(O)=O Amb22896466 [0,1,0,0,0,0|2,0,1]=4 1052 B8R0.23 CC(CC(N)=O)C(N)=N Amb25325023 [0,1,0,0,0,0|3,0,0]=4 1053 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.23 CC(CC(O)=O)C(C)N Amb23536744 [0,1,0,0,0,0|1,0,1]=3 1055 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.23 CC(CC(O)=O)N(C)N Amb25699365 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,1,0,0,0,0|1,0,0]=2 1058 B8R0.23 CC(CC([O-])=O)S([O-])=O Amb22470749 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,1,0,0,0,0|1,0,1]=3 1060 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.23 CC(CS([O-])=O)C([O-])=O Amb22470748 [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.23 CC(Cl)CC(Cl)C(C)=O Amb25700978 [0,1,0,0,0,0|2,0,1]=4 1063 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,1,0,0,0,0|1,0,1]=3 1064 B8R0.23 CC(N(C)C)CC(=O)N Amb17231867 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.23 CC(N(CC(=O)O)C)C Amb10609863 [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.23 CC(N)=[N+](C)CC([O-])=O Amb25339595 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.23 CC(N=C(N)S)C(O)=O Amb22229340 [0,1,0,0,0,0|2,1,0]=4 1068 B8R0.23 CC(NC(=O)Cl)C(=O)Cl Amb25049171 [0,1,0,0,0,0|3,0,0]=4 1069 B8R0.23 CC(NC(C)=O)B(O)O Amb25125858 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.23 CC(NC(C)=O)C(C)O Amb25188915 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.23 CC(NC(N)=N)C(O)=O Amb22522920 [0,1,0,0,0,0|3,0,0]=4 1072 B8R0.23 CC(NC(S)=S)C(O)=O Amb25336384 [0,1,0,0,0,0|2,1,0]=4 1073 B8R0.23 CC(NN(C)C)C(O)=O Amb24523085 [0,1,0,0,0,0|3,0,0]=4 1074 B8R0.23 CC(NS(C)=O)C(C)=O Amb25263940 [0,1,0,0,0,0|3,0,0]=4 1075 B8R0.23 CC(NS(C)=O)C(O)=O Amb25241916 [0,1,0,0,0,0|2,0,0]=3 1076 B8R0.23 CC(O)=CC(=O)C(O)=O Amb25047399 [0,1,0,0,0,0|0,0,3]=4 1077 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,1,0,0,0,0|0,0,2]=3 1078 B8R0.23 CC(O)C(O)CC(C)=C Amb24740055 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [0,1,0,0,0,0|1,0,1]=3 1080 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,1,0,0,0,0|0,0,3]=4 1081 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,1,0,0,0,0|0,0,2]=3 1082 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,1,0,0,0,0|0,0,2]=3 1083 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [0,1,0,0,0,0|1,0,2]=4 1084 B8R0.23 CC(O)CN(C)C(C)=O Amb24072011 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.23 CC(OC(N)=S)C(O)=O Amb25732591 [0,1,0,0,0,0|2,1,0]=4 1086 B8R0.23 CC(S(=O)CC(=O)O)C Amb10608021 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [0,1,0,0,0,0|0,1,1]=3 1088 B8R0.23 CN(C(=O)CC(=O)O)C Amb17399822 [0,1,0,0,0,0|2,0,1]=4 1089 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [0,1,0,0,0,0|3,0,0]=4 1091 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,1,0,0,0,0|2,0,0]=3 1092 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,1,0,0,0,0|2,0,0]=3 1093 B8R0.23 CN(C)CC(O)C(N)=O Amb24333804 [0,1,0,0,0,0|3,0,0]=4 1094 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,1,0,0,0,0|2,0,0]=3 1097 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.23 CN(CC(O)=O)C(N)=N Amb22002328 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.23 CN(CC(O)=O)C(N)=N Amb22167307 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.23 CN(CC(O)=O)C(N)=S Amb25115737 [0,1,0,0,0,0|2,1,0]=4 1101 B8R0.23 CN(CC(O)=O)[13C](N)=N Amb22367285 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.23 CN(N)C(=O)CC(O)=O Amb25326354 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,1,0,0,0,0|2,0,0]=3 1104 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,1,0,0,0,0|1,0,0]=2 1105 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,1,0,0,0,0|1,0,0]=2 1106 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,1,0,0,0,0|1,0,0]=2 1107 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,1,0,0,0,0|1,0,0]=2 1108 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [0,1,0,0,0,0|1,0,1]=3 1109 B8R0.23 C[C@@H](C(C)C)CC(=O)O Amb10844387 [0,1,0,0,0,0|1,0,1]=3 1110 B8R0.23 C[C@@H](CC(O)=O)C(Cl)Cl Amb24480304 [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,1,0,0,0,0|1,0,0]=2 1112 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [0,1,0,0,0,0|1,0,1]=3 1113 B8R0.23 C[C@@H](N)[C@H](O)CP(O)=O Amb25236573 [0,1,0,0,0,0|2,0,1]=4 1114 B8R0.23 C[C@@H](NC(C)=O)B(O)O Amb24741011 [0,1,0,0,0,0|2,0,1]=4 1115 B8R0.23 C[C@@H](NC(S)=S)C(O)=O Amb25073818 [0,1,0,0,0,0|2,1,0]=4 1116 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,1,0,0,0,0|0,0,3]=4 1117 B8R0.23 C[C@@H](O)CN(C)C(C)=O Amb24416218 [0,1,0,0,0,0|2,0,1]=4 1118 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,1,0,0,0,0|0,0,2]=3 1119 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,1,0,0,0,0|0,0,2]=3 1120 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,1,0,0,0,0|0,0,2]=3 1121 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,1,0,0,0,0|0,0,2]=3 1122 B8R0.23 C[C@@H](OC(C)=O)[C@@H](C)O Amb25333442 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [0,1,0,0,0,0|1,0,1]=3 1124 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [0,1,0,0,0,0|2,0,0]=3 1125 B8R0.23 C[C@H](CC(C)=C)[C@@H](C)O Amb25113682 [0,1,0,0,0,0|2,0,1]=4 1126 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,1,0,0,0,0|2,0,0]=3 1127 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,1,0,0,0,0|1,0,0]=2 1128 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,1,0,0,0,0|1,0,0]=2 1129 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,1,0,0,0,0|1,0,1]=3 1130 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [0,1,0,0,0,0|1,0,1]=3 1131 B8R0.23 C[C@H](NC(C)=O)[C@@H](C)O Amb25132762 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.23 C[C@H](NC(N)=N)C(O)=O Amb24388432 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,1,0,0,0,0|0,0,3]=4 1134 B8R0.23 C[C@H](O)CN(C)C(C)=O Amb24553313 [0,1,0,0,0,0|2,0,1]=4 1135 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,1,0,0,0,0|0,0,2]=3 1136 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,1,0,0,0,0|0,0,2]=3 1137 B8R0.23 C[C@H](OC(C)=O)[C@@H](C)O Amb24642757 [0,1,0,0,0,0|2,0,1]=4 1138 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.23 C[S+](C)CC(=O)C(O)=O Amb24524581 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.23 C[S+](C)CC(N)C([O-])=O Amb25242630 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [0,1,0,0,0,0|2,0,0]=3 1142 B8R0.23 C\C(=C/C(C)=C)\C(O)=O Amb24523653 [0,1,0,0,0,0|1,0,2]=4 1143 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.23 C\C(\Cl)=C\C(Cl)C(O)=O Amb24710290 [0,1,0,0,0,0|1,0,1]=3 1145 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,1,0,0,0,0|2,0,1]=4 1146 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [0,1,0,0,0,0|1,0,1]=3 1147 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [0,1,0,0,0,0|1,0,1]=3 1148 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,1,0,0,0,0|1,0,0]=2 1151 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,1,0,0,0,0|1,0,0]=2 1152 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,1,0,0,0,0|1,0,1]=3 1153 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,1,0,0,0,0|2,0,0]=3 1154 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,1,0,0,0,0|1,0,0]=2 1155 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,1,0,0,0,0|1,0,0]=2 1156 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,1,0,0,0,0|1,0,0]=2 1157 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,1,0,0,0,0|1,0,0]=2 1158 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,1,0,0,0,0|1,0,0]=2 1159 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,1,0,0,0,0|1,0,0]=2 1160 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,1,0,0,0,0|2,0,0]=3 1164 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,1,0,0,0,0|2,0,0]=3 1165 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,1,0,0,0,0|1,0,0]=2 1166 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,1,0,0,0,0|1,0,2]=4 1169 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,1,0,0,0,0|1,1,0]=3 1170 B8R0.23 NC(=S)CN(C(=O)C)C Amb17232013 [0,1,0,0,0,0|2,1,0]=4 1171 B8R0.23 NC(=S)N(N)CC(O)=O Amb24744103 [0,1,0,0,0,0|2,1,0]=4 1172 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,1,0,0,0,0|1,0,1]=3 1175 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,1,0,0,0,0|2,0,1]=4 1177 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,1,0,0,0,0|1,0,0]=2 1179 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,1,0,0,0,0|1,0,0]=2 1180 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,1,0,0,0,0|1,0,0]=2 1181 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,1,0,0,0,0|1,0,0]=2 1182 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,1,0,0,0,0|1,0,0]=2 1183 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,1,0,0,0,0|1,0,0]=2 1184 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,1,0,0,0,0|1,0,0]=2 1185 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,1,0,0,0,0|1,0,0]=2 1186 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [0,1,0,0,0,0|1,0,1]=3 1187 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,1,0,0,0,0|2,1,0]=4 1188 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,1,0,0,0,0|2,0,0]=3 1189 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,1,0,0,0,0|2,0,0]=3 1190 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,1,0,0,0,0|2,0,0]=3 1191 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,1,0,0,0,0|1,0,0]=2 1192 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,1,0,0,0,0|1,0,0]=2 1193 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,1,0,0,0,0|2,0,0]=3 1194 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,1,0,0,0,0|1,0,0]=2 1195 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,1,0,0,0,0|1,0,0]=2 1196 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,1,0,0,0,0|1,0,0]=2 1197 B8R0.23 N[C@@H](C(=O)N)CC(C)C Amb16183944 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,1,0,0,0,0|1,0,1]=3 1199 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,1,0,0,0,0|2,0,1]=4 1200 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,1,0,0,0,0|2,0,1]=4 1201 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,1,0,0,0,0|1,0,0]=2 1202 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,1,0,0,0,0|1,0,0]=2 1203 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,1,0,0,0,0|1,0,0]=2 1204 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,1,0,0,0,0|1,0,0]=2 1205 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,1,0,0,0,0|1,0,0]=2 1206 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,1,0,0,0,0|1,0,0]=2 1207 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,1,0,0,0,0|1,0,0]=2 1208 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [0,1,0,0,0,0|1,0,1]=3 1209 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [0,1,0,0,0,0|1,0,1]=3 1210 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [0,1,0,0,0,0|1,0,1]=3 1211 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [0,1,0,0,0,0|1,0,1]=3 1212 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,1,0,0,0,0|1,0,0]=2 1213 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,1,0,0,0,0|1,0,0]=2 1215 B8R0.23 N[C@H](C(=O)N)CC(C)C Amb10670112 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,1,0,0,0,0|1,0,1]=3 1217 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,1,0,0,0,0|1,0,0]=2 1219 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,1,0,0,0,0|2,1,0]=4 1221 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.23 O=C(Cl)C(Cl)CS(=O)Cl Amb24741781 [0,1,0,0,0,0|3,0,0]=4 1223 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [0,1,0,0,0,0|2,0,0]=3 1224 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,1,0,0,0,0|1,0,1]=3 1225 B8R0.23 OC(=O)C(Cl)C=C(Cl)Cl Amb24635775 [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.23 OC(=O)C(Cl)CC(Cl)Cl Amb25350003 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,1,0,0,0,0|2,0,0]=3 1228 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,1,0,0,0,0|1,0,0]=2 1229 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,1,0,0,0,0|1,0,0]=2 1231 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,1,0,0,0,0|1,0,0]=2 1232 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,1,0,0,0,0|1,0,0]=2 1233 B8R0.23 OC(=O)CC(=C(Cl)Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,1,0,0,0,0|0,0,1]=2 1235 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,1,0,0,0,0|1,0,0]=2 1236 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,1,0,0,0,0|1,0,0]=2 1237 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,1,0,0,0,0|1,0,0]=2 1238 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,1,0,0,0,0|2,0,0]=3 1239 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,1,0,0,0,0|1,0,0]=2 1240 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,1,0,0,0,0|2,0,0]=3 1241 B8R0.23 OC(=O)CN(C(=S)S)C Amb1042470 [0,1,0,0,0,0|2,1,0]=4 1242 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,1,0,0,0,0|1,0,0]=2 1243 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,1,0,0,0,0|0,0,2]=3 1244 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,1,0,0,0,0|1,0,0]=2 1245 B8R0.23 OC(=O)[C@@H](Cl)CC(Cl)Cl Amb25061364 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,1,0,0,0,0|1,0,0]=2 1247 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,1,0,0,0,0|1,0,0]=2 1248 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,1,0,0,0,0|1,0,0]=2 1249 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,1,0,0,0,0|1,0,0]=2 1250 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,1,0,0,0,0|1,0,0]=2 1251 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,1,0,0,0,0|1,0,2]=4 1252 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,1,0,0,0,0|1,0,2]=4 1253 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,1,0,0,0,0|1,0,2]=4 1254 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,1,0,0,0,0|1,0,2]=4 1255 B8R0.23 OC(=O)\C=C(\C(=C)C)/C Amb17593311 [0,1,0,0,0,0|1,0,2]=4 1256 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [0,1,0,0,0,0|1,0,1]=3 1257 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [0,1,0,0,0,0|1,0,2]=4 1260 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,1,0,0,0,0|1,0,0]=2 1261 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [0,1,0,0,0,0|1,0,1]=3 1263 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.23 [13CH3]N(CC(O)=O)C(N)=N Amb22367286 [0,1,0,0,0,0|3,0,0]=4 1265 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,1,0,0,0,0|1,0,1]=3 1266 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,1,0,0,0,0|1,0,0]=2 1267 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,1,0,0,0,0|1,0,0]=2 1268 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,1,0,0,0,0|1,0,0]=2 1269 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,1,0,0,0,0|1,0,0]=2 1270 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,1,0,0,0,0|1,0,0]=2 1271 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,1,0,0,0,0|1,0,0]=2 1272 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [0,1,0,0,0,0|1,0,1]=3 1274 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [0,1,0,0,0,0|1,0,1]=3 1275 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,1,0,0,0,0|1,0,0]=2 1276 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [0,1,0,0,0,0|1,0,1]=3 1277 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [0,1,0,0,0,0|1,0,1]=3 1278 B8R0.29 CC(=O)CCC(F)(F)F Amb24055935 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,1,0,0,0,0|1,0,1]=3 1280 B8R0.29 CC(=O)CCS(N)(=O)=O Amb25204902 [0,1,0,0,0,0|1,0,1]=3 1281 B8R0.29 CC(=O)CC[B-](F)(F)F Amb24746663 [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.29 CC(=O)CNS(C)(=O)=O Amb25723730 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.29 CC(=O)COS(C)(=O)=O Amb24737069 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.29 CC(=O)NCC(C)(C)O Amb25082896 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.29 CC(=O)NCS(C)(=O)=O Amb24356559 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.29 CC(=O)NCS(O)(=O)=O Amb25235237 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.29 CC(C)(C)CCC(=O)Cl Amb25105178 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.29 CC(C)(Cl)CCC(O)=O Amb18644451 [0,1,0,0,0,0|1,0,1]=3 1289 B8R0.29 CC(C)(O)CCC([O-])=O Amb24271108 [0,1,0,0,0,0|0,0,3]=4 1290 B8R0.29 CC(C)(S)CCC(O)=O Amb22489759 [0,1,0,0,0,0|0,1,1]=3 1291 B8R0.29 CC(C)([NH3+])CCC(O)=O Amb22372040 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.29 CC(C)=CCP(O)(O)=O Amb25308177 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.29 CC(F)(F)CCC(=O)Cl Amb25086105 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.29 CC(N)(F)CCC(O)=O Amb24672870 [0,1,0,0,0,0|1,0,1]=3 1295 B8R0.29 CC(N)CCP(C)(O)=O Amb25765644 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.29 CC(N)CCS(O)(=O)=O Amb24522970 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.29 CC(O)(O)NCC(O)=O Amb24715373 [0,1,0,0,0,0|1,0,2]=4 1298 B8R0.29 CC(O)CCS(C)(=O)=O Amb18180142 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.29 CS(=O)(=O)CCB(O)O Amb25800790 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.29 CS(=O)(=O)CCC(N)=N Amb18179242 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.29 CS(=O)(=O)CCS(=O)Cl Amb24582948 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.29 CS(=O)(=O)OCC(N)=O Amb24601490 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.29 CS(=O)(=O)OCC(O)=O Amb25783884 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.29 CS(=O)(=O)\C=C\C(O)=O Amb23511152 [0,1,0,0,0,0|1,0,2]=4 1305 B8R0.29 CS(C)(=O)=NCC(N)=O Amb24572132 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.29 C[C@@H](N)CCS(O)(=O)=O Amb22799661 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.29 C[C@H](N)CCS(O)(=O)=O Amb25342455 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.29 C[N+](C)(C)CCC(N)=O Amb24482186 [0,1,0,0,0,0|3,0,0]=4 1309 B8R0.29 C[N+](C)(C)CCC(O)=O Amb24117222 [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.29 C[Si](C)(C)CCC(N)=O Amb25745193 [0,1,0,0,0,0|2,1,0]=4 1311 B8R0.29 C[Si](C)(C)CCC(O)=O Amb19894136 [0,1,0,0,0,0|1,1,0]=3 1312 B8R0.29 C[Si](C)(C)CCC(O)=O Amb22274047 [0,1,0,0,0,0|1,1,0]=3 1313 B8R0.29 C[Si](C)(C)CCC([O-])=O Amb24121542 [0,1,0,0,0,0|1,1,1]=4 1314 B8R0.29 C[Si](C)(O)CCC(O)=O Amb24680973 [0,1,0,0,0,0|0,1,1]=3 1315 B8R0.29 NC(=O)CCS(O)(=O)=O Amb24678269 [0,1,0,0,0,0|2,0,0]=3 1316 B8R0.29 NC(=O)CNS(=O)(=O)C Amb17232098 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.29 NC(=O)COS(O)(=O)=O Amb24425511 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.29 NC(=O)NCP(O)(O)=O Amb25311924 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.29 NC(=S)CCS(=O)(=O)C Amb17503319 [0,1,0,0,0,0|2,1,0]=4 1320 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.29 OC(=O)CCC(Br)(F)F Amb10838819 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.29 OC(=O)CCC(F)(Cl)Cl Amb25062982 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.29 OC(=O)CCC(N)(C)C Amb13951332 [0,1,0,0,0,0|1,0,1]=3 1324 B8R0.29 OC(=O)CCP(=O)(O)C Amb1792559 [0,1,0,0,0,0|1,0,0]=2 1325 B8R0.29 OC(=O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.29 OC(=O)CCS(=O)(=O)Cl Amb24481869 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|2,0,0]=3 1328 B8R0.29 OC(=O)CCS(=O)(=O)S Amb24627680 [0,1,0,0,0,0|2,0,0]=3 1329 B8R0.29 OC(=O)CC[B-](F)(F)F Amb24351210 [0,1,0,0,0,0|3,0,0]=4 1330 B8R0.29 OC(=O)CC[Ge](Cl)(Cl)Cl Amb19930252 [0,1,0,0,0,0|2,1,0]=4 1331 B8R0.29 OC(=O)CC[P](O)(O)O Amb24543829 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.29 OC(=O)CNC(C)(C)C Amb10610332 [0,1,0,0,0,0|2,0,1]=4 1333 B8R0.29 OC(=O)CNP(O)(O)=O Amb25831517 [0,1,0,0,0,0|3,0,0]=4 1334 B8R0.29 OC(=O)CNS(=O)(=O)C Amb1120433 [0,1,0,0,0,0|2,0,0]=3 1335 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [0,1,0,0,0,0|3,0,0]=4 1336 B8R0.29 OC(=O)COCl(=O)(=O)=O Amb24532150 [0,1,0,0,0,0|3,0,0]=4 1337 B8R0.29 OC(=O)COP(O)(O)=O Amb24442945 [0,1,0,0,0,0|3,0,0]=4 1338 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [0,1,0,0,0,0|3,0,0]=4 1339 B8R0.29 OC(=O)CSS(=O)(=O)C Amb17610576 [0,1,0,0,0,0|2,0,0]=3 1340 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.29 [O-]C(=O)CC[Si](C)(C)C Amb10563760 [0,1,0,0,0,0|1,1,1]=4 1343 B8R0.29 [O-]C(=O)CC[Si](O)(O)O Amb19893682 [0,1,0,0,0,0|1,1,1]=4 1344 B8R1.3 C=C1CCC(=C)CC1 Amb22227744 [0,0,0,1,0,0|3,0,0]=4 1345 B8R1.3 C=C1CCC(=O)C=C1 Amb24416744 [0,0,0,1,0,0|2,0,1]=4 1346 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,1,0,0|2,0,0]=3 1347 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,1,0,0|2,0,0]=3 1348 B8R1.3 CC1CCC(=O)C=C1 Amb24556470 [0,0,0,1,0,0|2,0,1]=4 1349 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,1,0,0|1,0,1]=3 1350 B8R1.3 CC1CCC(=O)CS1 Amb23568547 [0,0,0,1,0,0|1,1,1]=4 1351 B8R1.3 CC1CCC(=O)NC1 Amb13952062 [0,0,0,1,0,0|2,0,1]=4 1352 B8R1.3 CC1CNC(=O)CO1 Amb22371080 [0,0,0,1,0,0|2,0,1]=4 1353 B8R1.3 CC1COC(=O)OC1 Amb21856480 [0,0,0,1,0,0|2,0,1]=4 1354 B8R1.3 CC=1CCC(=O)NC1 Amb25078192 [0,0,0,1,0,0|2,0,0]=3 1355 B8R1.3 CC=1CCC(O)CN1 Amb25700893 [0,0,0,1,0,0|2,0,1]=4 1356 B8R1.3 CC=1CC[C@@H](O)CC1 Amb25796430 [0,0,0,1,0,0|2,0,1]=4 1357 B8R1.3 CC=1CNC(=O)NC1 Amb24507686 [0,0,0,1,0,0|3,0,0]=4 1358 B8R1.3 CN1CCC(=O)C=C1 Amb17593148 [0,0,0,1,0,0|3,0,0]=4 1359 B8R1.3 CP1CCC(=O)CC1 Amb25767035 [0,0,0,1,0,0|3,0,0]=4 1360 B8R1.3 C[C@@H]1CCC(=O)CN1 Amb24481509 [0,0,0,1,0,0|2,0,1]=4 1361 B8R1.3 C[C@H]1CCC(=O)CO1 Amb25262664 [0,0,0,1,0,0|1,0,1]=3 1362 B8R1.3 C[C@H]1CNC(=O)CO1 Amb24589385 [0,0,0,1,0,0|2,0,1]=4 1363 B8R1.3 C[NH+]1CCC(=O)CC1 Amb10552693 [0,0,0,1,0,0|3,0,0]=4 1364 B8R1.3 NC1CCC(=O)CC1 Amb10067105 [0,0,0,1,0,0|2,0,1]=4 1365 B8R1.3 NC1CCC(=O)CC1 Amb21862513 [0,0,0,1,0,0|2,0,1]=4 1366 B8R1.3 NC1CCC(=O)CC1 Amb22831860 [0,0,0,1,0,0|2,0,1]=4 1367 B8R1.3 NC1CCC(=O)NC1 Amb13952208 [0,0,0,1,0,0|2,0,1]=4 1368 B8R1.3 NC1CNC(=O)CC1 Amb18833034 [0,0,0,1,0,0|2,0,1]=4 1369 B8R1.3 N[C@@H]1CNC(=O)CC1 Amb22748949 [0,0,0,1,0,0|2,0,1]=4 1370 B8R1.3 O=C1CCC(=O)CN1 Amb15692796 [0,0,0,1,0,0|1,0,0]=2 1371 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,1,0,0|2,0,0]=3 1372 B8R1.3 O=C1CCC(F)CC1 Amb20671078 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.3 O=C1CCC(I)CN1 Amb25341317 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.3 O=C1CNC(=O)CC1 Amb22491034 [0,0,0,1,0,0|1,0,0]=2 1375 B8R1.3 O=C1CNC(=O)OC1 Amb24481365 [0,0,0,1,0,0|1,0,0]=2 1376 B8R1.3 O=C1CNC(=S)CN1 Amb25804364 [0,0,0,1,0,0|2,1,0]=4 1377 B8R1.3 O=C1NCC(=O)NC1 Amb1011605 [0,0,0,1,0,0|2,0,0]=3 1378 B8R1.3 OC1CCC(=O)NC1 Amb10066907 [0,0,0,1,0,0|1,0,2]=4 1379 B8R1.3 OC1CCS(=O)CC1 Amb21988465 [0,0,0,1,0,0|2,0,1]=4 1380 B8R1.3 O[C@H]1CCC(=O)C=C1 Amb25707492 [0,0,0,1,0,0|1,0,2]=4 1381 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|2,0,0]=3 1382 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [0,0,0,1,0,0|1,0,0]=2 1383 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [0,0,0,1,0,0|1,0,0]=2 1384 B8R1.20 CC1CC1CC(N)=O Amb25772500 [0,0,0,1,0,0|2,0,1]=4 1385 B8R1.20 CC1CC1CC(O)=O Amb25316515 [0,0,0,1,0,0|1,0,1]=3 1386 B8R1.20 CC1OC1CC(O)=O Amb24710388 [0,0,0,1,0,0|0,0,2]=3 1387 B8R1.20 C[C@@H]1C[C@H]1CC(C)=O Amb24373459 [0,0,0,1,0,0|2,0,1]=4 1388 B8R1.20 C[C@@H]1O[C@H]1CC(N)=O Amb24629162 [0,0,0,1,0,0|1,0,2]=4 1389 B8R1.20 C[C@H]1C[C@H]1CC(C)=O Amb25257655 [0,0,0,1,0,0|2,0,1]=4 1390 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [0,0,0,1,0,0|1,0,1]=3 1391 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [0,0,0,1,0,0|0,0,2]=3 1392 B8R1.20 N[C@H]1C[C@H]1CC(O)=O Amb24585123 [0,0,0,1,0,0|1,0,1]=3 1393 B8R1.23 C=C1CC(C1)C(N)=O Amb22896664 [0,0,0,1,0,0|2,0,0]=3 1394 B8R1.23 CC(=C)C1CC(=O)C1 Amb25373403 [0,0,0,1,0,0|2,0,0]=3 1395 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,0,0,1,0,0|1,0,1]=3 1396 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,0,0,1,0,0|2,0,0]=3 1397 B8R1.23 CC(=O)N1CC(O)C1 Amb17935746 [0,0,0,1,0,0|2,0,1]=4 1398 B8R1.23 CC(C)C1CC(=O)C1 Amb25806486 [0,0,0,1,0,0|2,0,1]=4 1399 B8R1.23 CC(O)C1CC(=O)O1 Amb25317296 [0,0,0,1,0,0|0,0,2]=3 1400 B8R1.23 CC1CC(C1)C(=O)Cl Amb24361916 [0,0,0,1,0,0|2,0,1]=4 1401 B8R1.23 CC1CC(C1)C(C)=O Amb23590280 [0,0,0,1,0,0|2,0,1]=4 1402 B8R1.23 CC1CC(C1)C(O)=O Amb19515989 [0,0,0,1,0,0|1,0,1]=3 1403 B8R1.23 CC=1CC(C1)C(C)=O Amb24676939 [0,0,0,1,0,0|2,0,0]=3 1404 B8R1.23 CN1CC(C1)C(O)=O Amb19958116 [0,0,0,1,0,0|2,0,0]=3 1405 B8R1.23 C[C@@H]1C[C@@H](C1)C(O)=O Amb22746374 [0,0,0,1,0,0|1,0,1]=3 1406 B8R1.23 C[C@@H]1C[C@H](C1)C(O)=O Amb22746375 [0,0,0,1,0,0|1,0,1]=3 1407 B8R1.23 C[C@H](O)[C@@H]1CC(=O)O1 Amb24515159 [0,0,0,1,0,0|0,0,2]=3 1408 B8R1.23 C[C@H]1C[C@H](N1)C(O)=O Amb24514390 [0,0,0,1,0,0|1,0,1]=3 1409 B8R1.23 ClC(=O)C1CC(=C)C1 Amb10071441 [0,0,0,1,0,0|2,0,0]=3 1410 B8R1.23 ClC1CC(C1)C(=O)O Amb16233600 [0,0,0,1,0,0|1,0,1]=3 1411 B8R1.23 NC(=O)C1CC(=O)C1 Amb22896730 [0,0,0,1,0,0|1,0,0]=2 1412 B8R1.23 NC(=O)C1CC(O)C1 Amb23570502 [0,0,0,1,0,0|1,0,2]=4 1413 B8R1.23 NC(=S)N1CC(=O)C1 Amb24481424 [0,0,0,1,0,0|2,1,0]=4 1414 B8R1.23 NC1CC(C1)C(=O)O Amb10610660 [0,0,0,1,0,0|1,0,1]=3 1415 B8R1.23 NC1CC(C1)C(N)=O Amb20622654 [0,0,0,1,0,0|2,0,1]=4 1416 B8R1.23 NC1CC(C1)C(O)=O Amb21963541 [0,0,0,1,0,0|1,0,1]=3 1417 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O Amb10604131 [0,0,0,1,0,0|1,0,1]=3 1418 B8R1.23 N[C@@H]1C[C@@H](C1)C(N)=O Amb22896793 [0,0,0,1,0,0|2,0,1]=4 1419 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O Amb10604102 [0,0,0,1,0,0|1,0,1]=3 1420 B8R1.23 N[C@@H]1C[C@H](C1)C(N)=O Amb22896794 [0,0,0,1,0,0|2,0,1]=4 1421 B8R1.23 N[C@@H]1C[C@H](C1)C(O)=O Amb19514893 [0,0,0,1,0,0|1,0,1]=3 1422 B8R1.23 O=C(Cl)C1CC(Cl)C1 Amb24739809 [0,0,0,1,0,0|2,0,1]=4 1423 B8R1.23 O=C1CC(C1)C(=O)Cl Amb16230813 [0,0,0,1,0,0|1,0,0]=2 1424 B8R1.23 O=C1CC(C1)C(=O)O Amb1106387 [0,0,0,1,0,0|0,0,0]=1 1425 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [0,0,0,1,0,0|1,0,0]=2 1426 B8R1.23 O=C1CC(N1)S(=O)Cl Amb25835668 [0,0,0,1,0,0|3,0,0]=4 1427 B8R1.23 O=C1C[C@@H](O1)C(Cl)Cl Amb25108146 [0,0,0,1,0,0|2,0,1]=4 1428 B8R1.23 OC(=O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,0|1,0,1]=3 1429 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [0,0,0,1,0,0|1,0,0]=2 1430 B8R1.23 OC(=O)[C@@H]1C[C@@H](Br)C1 Amb24339433 [0,0,0,1,0,0|1,0,1]=3 1431 B8R1.23 OC(=O)[C@H]1CC(=O)O1 Amb25705638 [0,0,0,1,0,0|1,0,0]=2 1432 B8R1.23 OC1CC(C1)C(=O)Cl Amb24661280 [0,0,0,1,0,0|1,0,2]=4 1433 B8R1.23 O[C@@H]1C[C@H](C1)C(O)=O Amb19516178 [0,0,0,1,0,0|0,0,2]=3 1434 B8R1.23 O[C@H]1C[C@H](C1)C(O)=O Amb19516179 [0,0,0,1,0,0|0,0,2]=3 1435 B8R1.35 CC(=O)CCC1CC1 Amb25305448 [0,0,0,1,0,0|2,0,1]=4 1436 B8R1.35 CC(=O)NCC1CO1 Amb23557281 [0,0,0,1,0,0|2,0,1]=4 1437 B8R1.35 CC(=O)NC[C@H]1CO1 Amb25068125 [0,0,0,1,0,0|2,0,1]=4 1438 B8R1.35 CC(=O)OCC1CO1 Amb10789133 [0,0,0,1,0,0|2,0,1]=4 1439 B8R1.35 O=C(Cl)CCC1CC1 Amb25337452 [0,0,0,1,0,0|2,0,1]=4 1440 B8R1.35 OC(=O)CC=C1CC1 Amb25119812 [0,0,0,1,0,0|1,0,1]=3 1441 B8R1.51 CC1(C)CC(=O)CC1 Amb19516867 [0,0,0,1,0,0|2,0,1]=4 1442 B8R1.51 CC1(C)COC(=O)O1 Amb24404748 [0,0,0,1,0,0|2,0,1]=4 1443 B8R1.51 CC1(C)CSC(=O)O1 Amb24357776 [0,0,0,1,0,0|2,0,1]=4 1444 B8R1.51 CC1(O)CC(=O)CC1 Amb25129578 [0,0,0,1,0,0|1,0,1]=3 1445 B8R1.51 CC1(O)CCC(=O)N1 Amb24483013 [0,0,0,1,0,0|1,0,2]=4 1446 B8R1.51 CC1(O)CCC(=O)O1 Amb22338334 [0,0,0,1,0,0|0,0,2]=3 1447 B8R1.51 CC1=CS(=O)(=O)CC1 Amb1351742 [0,0,0,1,0,0|2,0,1]=4 1448 B8R1.51 CC=1CCP(C)(=O)C1 Amb22734692 [0,0,0,1,0,0|3,0,0]=4 1449 B8R1.51 CP1(=O)CC(=O)CC1 Amb25231314 [0,0,0,1,0,0|2,0,0]=3 1450 B8R1.51 CP1(=O)CCC(=O)O1 Amb22228817 [0,0,0,1,0,0|1,0,0]=2 1451 B8R1.51 CP1(=S)CC(=O)CC1 Amb24388618 [0,0,0,1,0,0|2,1,0]=4 1452 B8R1.51 C[C@@]1(O)CNC(=O)C1 Amb24672065 [0,0,0,1,0,0|2,0,1]=4 1453 B8R1.51 C[N+]1(C)CC(=O)CC1 Amb25735729 [0,0,0,1,0,0|3,0,0]=4 1454 B8R1.51 NC1CP(O)(=O)CC1 Amb25231215 [0,0,0,1,0,0|2,0,1]=4 1455 B8R1.51 O=C1CC(F)(F)CC1 Amb21963547 [0,0,0,1,0,0|2,0,1]=4 1456 B8R1.51 O=C1CCC(O1)([2H])[2H] Amb17610398 [0,0,0,1,0,0|2,0,1]=4 1457 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,0,0,1,0,0|1,0,1]=3 1458 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,0,0,1,0,0|2,0,1]=4 1459 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,0,0,1,0,0|2,0,0]=3 1460 B8R1.51 O=C1COC(O1)(C)C Amb10601611 [0,0,0,1,0,0|2,0,1]=4 1461 B8R1.51 O=C1NCC(O1)(C)C Amb16202554 [0,0,0,1,0,0|2,0,1]=4 1462 B8R1.51 OC1=N[N+](CC1)(C)C Amb10777461 [0,0,0,1,0,0|3,0,0]=4 1463 B8R1.77 CC(=O)C1CC1(C)C Amb22011884 [0,0,0,1,0,0|2,0,1]=4 1464 B8R1.77 CC(=O)C1CC1(F)F Amb25219948 [0,0,0,1,0,0|2,0,1]=4 1465 B8R1.77 CC1(C)NC1C(O)=O Amb23401629 [0,0,0,1,0,0|2,0,1]=4 1466 B8R1.77 CC1(C)OC1C(O)=O Amb24481352 [0,0,0,1,0,0|2,0,1]=4 1467 B8R1.77 CC1(C)S[C@H]1C(O)=O Amb24445654 [0,0,0,1,0,0|2,0,1]=4 1468 B8R1.77 CC1(Cl)CC1C(O)=O Amb24629731 [0,0,0,1,0,0|1,0,1]=3 1469 B8R1.77 ClC(=O)C1CC1(C)C Amb16230811 [0,0,0,1,0,0|2,0,1]=4 1470 B8R1.77 NC(=O)[C@@H]1CC1(C)C Amb10072071 [0,0,0,1,0,0|2,0,1]=4 1471 B8R1.77 OC(=O)C1CC1(Br)Br Amb24651946 [0,0,0,1,0,0|2,0,1]=4 1472 B8R1.77 OC(=O)C1CC1(Cl)Cl Amb1106460 [0,0,0,1,0,0|2,0,1]=4 1473 B8R1.77 OC(=O)C1CC1(F)Cl Amb10841879 [0,0,0,1,0,0|2,0,1]=4 1474 B6R0.2 C=C(Br)CC(N)=O Amb25174913 [0,0,0,0,1,0|2,0,1]=4 1475 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [0,0,0,0,1,0|1,0,1]=3 1476 B6R0.2 C=C(Cl)CC(N)=O Amb24376175 [0,0,0,0,1,0|2,0,1]=4 1477 B6R0.2 CC(=C)CC(=O)C Amb17593075 [0,0,0,0,1,0|2,0,0]=3 1478 B6R0.2 CC(=CC(=O)N)C Amb10561758 [0,0,0,0,1,0|2,0,1]=4 1479 B6R0.2 CC(=CC(=O)O)C Amb1485519 [0,0,0,0,1,0|1,0,1]=3 1480 B6R0.2 CC(=N)CC(N)=O Amb25259783 [0,0,0,0,1,0|2,0,0]=3 1481 B6R0.2 CC(=O)CC(=C)Br Amb25662372 [0,0,0,0,1,0|2,0,0]=3 1482 B6R0.2 CC(=O)CC(=O)Br Amb24422459 [0,0,0,0,1,0|1,0,0]=2 1483 B6R0.2 CC(=O)CC(C)=N Amb22345922 [0,0,0,0,1,0|2,0,0]=3 1484 B6R0.2 CC(=O)CC(C)=O Amb22727963 [0,0,0,0,1,0|1,0,0]=2 1485 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [0,0,0,0,1,0|1,0,2]=4 1486 B6R0.2 CC(=O)CC(C)[O-] Amb22729909 [0,0,0,0,1,0|1,0,2]=4 1487 B6R0.2 CC(=O)CC(Cl)Cl Amb24476084 [0,0,0,0,1,0|2,0,1]=4 1488 B6R0.2 CC(=O)CC(F)F Amb24669174 [0,0,0,0,1,0|2,0,1]=4 1489 B6R0.2 CC(=O)CC(N)=S Amb24102403 [0,0,0,0,1,0|1,1,0]=3 1490 B6R0.2 CC(=O)CC(O)=O Amb22348460 [0,0,0,0,1,0|0,0,0]=1 1491 B6R0.2 CC(=O)CC(O)=S Amb24689856 [0,0,0,0,1,0|0,1,0]=2 1492 B6R0.2 CC(=O)CC(O)O Amb25273111 [0,0,0,0,1,0|0,0,2]=3 1493 B6R0.2 CC(=O)CC([O-])=O Amb22265051 [0,0,0,0,1,0|0,0,1]=2 1494 B6R0.2 CC(=O)CP(Cl)Cl Amb25319017 [0,0,0,0,1,0|3,0,0]=4 1495 B6R0.2 CC(=O)CS(C)=O Amb25025354 [0,0,0,0,1,0|2,0,0]=3 1496 B6R0.2 CC(=O)C[N+]([O-])=O Amb18833135 [0,0,0,0,1,0|1,0,1]=3 1497 B6R0.2 CC(=O)C[S+](C)C Amb24614662 [0,0,0,0,1,0|3,0,0]=4 1498 B6R0.2 CC(=O)NC(=S)N Amb10068733 [0,0,0,0,1,0|2,1,0]=4 1499 B6R0.2 CC(=O)NC(N)=N Amb22754056 [0,0,0,0,1,0|3,0,0]=4 1500 B6R0.2 CC(=O)OC(N)=N Amb25242014 [0,0,0,0,1,0|3,0,0]=4 1501 B6R0.2 CC(=O)O[Al](O)O Amb22336483 [0,0,0,0,1,0|2,0,1]=4 1502 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22045487 [0,0,0,0,1,0|1,0,2]=4 1503 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22053694 [0,0,0,0,1,0|1,0,2]=4 1504 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22054021 [0,0,0,0,1,0|1,0,2]=4 1505 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22730050 [0,0,0,0,1,0|1,0,2]=4 1506 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22730391 [0,0,0,0,1,0|1,0,2]=4 1507 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22733055 [0,0,0,0,1,0|1,0,2]=4 1508 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734591 [0,0,0,0,1,0|1,0,2]=4 1509 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734615 [0,0,0,0,1,0|1,0,2]=4 1510 B6R0.2 CC(=O)\C=C(\C)/[O-] Amb22734932 [0,0,0,0,1,0|1,0,2]=4 1511 B6R0.2 CC(=S)C=C(C)O Amb24518407 [0,0,0,0,1,0|1,1,1]=4 1512 B6R0.2 CC(=S)CC(N)=O Amb24479846 [0,0,0,0,1,0|1,1,0]=3 1513 B6R0.2 CC(Br)=CC(O)=O Amb25347173 [0,0,0,0,1,0|1,0,1]=3 1514 B6R0.2 CC(Br)CC(N)=O Amb24635749 [0,0,0,0,1,0|2,0,1]=4 1515 B6R0.2 CC(C)=NC(N)=O Amb24682478 [0,0,0,0,1,0|3,0,0]=4 1516 B6R0.2 CC(C)CC([O-])=O Amb22732147 [0,0,0,0,1,0|1,0,2]=4 1517 B6R0.2 CC(C)CC([O-])=O Amb22732282 [0,0,0,0,1,0|1,0,2]=4 1518 B6R0.2 CC(C)CC([O-])=O Amb22734041 [0,0,0,0,1,0|1,0,2]=4 1519 B6R0.2 CC(C)CC([O-])=O Amb22734425 [0,0,0,0,1,0|1,0,2]=4 1520 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [0,0,0,0,1,0|1,0,1]=3 1521 B6R0.2 CC(C)C[13C]([O-])=O Amb22336662 [0,0,0,0,1,0|1,0,2]=4 1522 B6R0.2 CC(CC(=C)C)O Amb17593083 [0,0,0,0,1,0|2,0,1]=4 1523 B6R0.2 CC(CC(=O)C)Cl Amb17593234 [0,0,0,0,1,0|2,0,1]=4 1524 B6R0.2 CC(CC(=O)C)N Amb2583230 [0,0,0,0,1,0|2,0,1]=4 1525 B6R0.2 CC(CC(=O)C)O Amb17593091 [0,0,0,0,1,0|1,0,1]=3 1526 B6R0.2 CC(Cl)=CC(N)=O Amb24567853 [0,0,0,0,1,0|2,0,1]=4 1527 B6R0.2 CC(F)=CC(O)=O Amb24676595 [0,0,0,0,1,0|1,0,1]=3 1528 B6R0.2 CC(F)CC(O)=O Amb24561809 [0,0,0,0,1,0|1,0,1]=3 1529 B6R0.2 CC(I)=CC(O)=O Amb24668934 [0,0,0,0,1,0|1,0,1]=3 1530 B6R0.2 CC(I)CC(N)=O Amb25783800 [0,0,0,0,1,0|2,0,1]=4 1531 B6R0.2 CC(N)=CC(O)=O Amb25856437 [0,0,0,0,1,0|1,0,1]=3 1532 B6R0.2 CC(N)CC(=O)Cl Amb25830663 [0,0,0,0,1,0|2,0,1]=4 1533 B6R0.2 CC(N)CC(C)=O Amb22587050 [0,0,0,0,1,0|2,0,1]=4 1534 B6R0.2 CC(N)CC(N)=O Amb18281237 [0,0,0,0,1,0|2,0,1]=4 1535 B6R0.2 CC(N)CC(O)=O Amb19888354 [0,0,0,0,1,0|1,0,1]=3 1536 B6R0.2 CC(O)CC(O)=O Amb22348403 [0,0,0,0,1,0|0,0,2]=3 1537 B6R0.2 CC(O)CP(O)=O Amb24406357 [0,0,0,0,1,0|1,0,2]=4 1538 B6R0.2 CC(O)SC(C)=O Amb24544015 [0,0,0,0,1,0|2,0,1]=4 1539 B6R0.2 CC(S)=CC(C)=O Amb24611600 [0,0,0,0,1,0|1,1,1]=4 1540 B6R0.2 CC(S)CC(C)=O Amb24600676 [0,0,0,0,1,0|1,1,1]=4 1541 B6R0.2 CC(S)CC(N)=O Amb24479823 [0,0,0,0,1,0|1,1,1]=4 1542 B6R0.2 CC(S)CC(O)=O Amb18281031 [0,0,0,0,1,0|0,1,1]=3 1543 B6R0.2 CN(Br)CC(O)=O Amb25745878 [0,0,0,0,1,0|2,0,0]=3 1544 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [0,0,0,0,1,0|3,0,0]=4 1545 B6R0.2 CN(C)CC([O-])=O Amb22002291 [0,0,0,0,1,0|2,0,1]=4 1546 B6R0.2 CN(C)CS(O)=O Amb25376029 [0,0,0,0,1,0|3,0,0]=4 1547 B6R0.2 CN(CC(=O)N)C Amb17231806 [0,0,0,0,1,0|3,0,0]=4 1548 B6R0.2 CN(Cl)CC(O)=O Amb24455857 [0,0,0,0,1,0|2,0,0]=3 1549 B6R0.2 CN(N)CC(O)=O Amb23592296 [0,0,0,0,1,0|2,0,0]=3 1550 B6R0.2 CN(O)CC(O)=O Amb24732008 [0,0,0,0,1,0|1,0,1]=3 1551 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,0,0,1,0|2,0,0]=3 1552 B6R0.2 CS(=O)CC(O)=O Amb18957960 [0,0,0,0,1,0|1,0,0]=2 1553 B6R0.2 CS(C)=CC(O)=O Amb25717234 [0,0,0,0,1,0|2,0,1]=4 1554 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [0,0,0,0,1,0|0,0,3]=4 1555 B6R0.2 C[13C](=O)O[13C](C)=O Amb22353530 [0,0,0,0,1,0|2,0,0]=3 1556 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [0,0,0,0,1,0|1,0,1]=3 1557 B6R0.2 C[C@@H](Cl)CC(=O)Cl Amb25321802 [0,0,0,0,1,0|2,0,1]=4 1558 B6R0.2 C[C@@H](N)CC(N)=O Amb25789836 [0,0,0,0,1,0|2,0,1]=4 1559 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [0,0,0,0,1,0|1,0,2]=4 1560 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [0,0,0,0,1,0|0,1,1]=3 1561 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [0,0,0,0,1,0|1,0,1]=3 1562 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [0,0,0,0,1,0|1,0,1]=3 1563 B6R0.2 C[C@H](Cl)CC(=O)Cl Amb25053837 [0,0,0,0,1,0|2,0,1]=4 1564 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [0,0,0,0,1,0|1,0,1]=3 1565 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [0,0,0,0,1,0|1,0,1]=3 1566 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [0,0,0,0,1,0|1,0,1]=3 1567 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [0,0,0,0,1,0|0,0,2]=3 1568 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [0,0,0,0,1,0|0,1,1]=3 1569 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [0,0,0,0,1,0|3,0,0]=4 1570 B6R0.2 C[NH+](C)CC(O)=O Amb24113881 [0,0,0,0,1,0|2,0,0]=3 1571 B6R0.2 C\C(=C/C(=O)C)\N Amb1149988 [0,0,0,0,1,0|2,0,1]=4 1572 B6R0.2 C\C(\Br)=C\C(O)=O Amb25662428 [0,0,0,0,1,0|1,0,1]=3 1573 B6R0.2 C\C(\Cl)=C/C(C)=O Amb25795658 [0,0,0,0,1,0|2,0,1]=4 1574 B6R0.2 C\C(\Cl)=C/C(O)=O Amb18123483 [0,0,0,0,1,0|1,0,1]=3 1575 B6R0.2 C\C(\Cl)=C\C(N)=O Amb24714532 [0,0,0,0,1,0|2,0,1]=4 1576 B6R0.2 C\C(\Cl)=C\C(O)=O Amb23556468 [0,0,0,0,1,0|1,0,1]=3 1577 B6R0.2 C\C(\F)=C/C(C)=O Amb24614698 [0,0,0,0,1,0|2,0,1]=4 1578 B6R0.2 C\C(\F)=C\C(C)=O Amb25717786 [0,0,0,0,1,0|2,0,1]=4 1579 B6R0.2 C\C(\I)=C/C(N)=O Amb25378941 [0,0,0,0,1,0|2,0,1]=4 1580 B6R0.2 C\C(\I)=C\C(O)=O Amb24741877 [0,0,0,0,1,0|1,0,1]=3 1581 B6R0.2 C\C(\N)=C\C(N)=O Amb22002462 [0,0,0,0,1,0|2,0,1]=4 1582 B6R0.2 C\C(\O)=C\C(C)=O Amb22034390 [0,0,0,0,1,0|1,0,1]=3 1583 B6R0.2 C\C(\[O-])=C/C(C)=O Amb19894693 [0,0,0,0,1,0|1,0,2]=4 1584 B6R0.2 C\C(\[O-])=C\C(C)=O Amb19959976 [0,0,0,0,1,0|1,0,2]=4 1585 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239360 [0,0,0,0,1,0|1,0,2]=4 1586 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239373 [0,0,0,0,1,0|1,0,2]=4 1587 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239374 [0,0,0,0,1,0|1,0,2]=4 1588 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20239443 [0,0,0,0,1,0|1,0,2]=4 1589 B6R0.2 C\C(\[O-])=C\C(C)=O Amb20246565 [0,0,0,0,1,0|1,0,2]=4 1590 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045337 [0,0,0,0,1,0|1,0,2]=4 1591 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045339 [0,0,0,0,1,0|1,0,2]=4 1592 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045350 [0,0,0,0,1,0|1,0,2]=4 1593 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045370 [0,0,0,0,1,0|1,0,2]=4 1594 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045376 [0,0,0,0,1,0|1,0,2]=4 1595 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045378 [0,0,0,0,1,0|1,0,2]=4 1596 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045379 [0,0,0,0,1,0|1,0,2]=4 1597 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045386 [0,0,0,0,1,0|1,0,2]=4 1598 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045388 [0,0,0,0,1,0|1,0,2]=4 1599 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045392 [0,0,0,0,1,0|1,0,2]=4 1600 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045393 [0,0,0,0,1,0|1,0,2]=4 1601 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045408 [0,0,0,0,1,0|1,0,2]=4 1602 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045419 [0,0,0,0,1,0|1,0,2]=4 1603 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045578 [0,0,0,0,1,0|1,0,2]=4 1604 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045602 [0,0,0,0,1,0|1,0,2]=4 1605 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045712 [0,0,0,0,1,0|1,0,2]=4 1606 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045835 [0,0,0,0,1,0|1,0,2]=4 1607 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045854 [0,0,0,0,1,0|1,0,2]=4 1608 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22045869 [0,0,0,0,1,0|1,0,2]=4 1609 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22052617 [0,0,0,0,1,0|1,0,2]=4 1610 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053071 [0,0,0,0,1,0|1,0,2]=4 1611 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053499 [0,0,0,0,1,0|1,0,2]=4 1612 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053500 [0,0,0,0,1,0|1,0,2]=4 1613 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053502 [0,0,0,0,1,0|1,0,2]=4 1614 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053503 [0,0,0,0,1,0|1,0,2]=4 1615 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053559 [0,0,0,0,1,0|1,0,2]=4 1616 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053596 [0,0,0,0,1,0|1,0,2]=4 1617 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053692 [0,0,0,0,1,0|1,0,2]=4 1618 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053697 [0,0,0,0,1,0|1,0,2]=4 1619 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053737 [0,0,0,0,1,0|1,0,2]=4 1620 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053933 [0,0,0,0,1,0|1,0,2]=4 1621 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053935 [0,0,0,0,1,0|1,0,2]=4 1622 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053939 [0,0,0,0,1,0|1,0,2]=4 1623 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053940 [0,0,0,0,1,0|1,0,2]=4 1624 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22053954 [0,0,0,0,1,0|1,0,2]=4 1625 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054002 [0,0,0,0,1,0|1,0,2]=4 1626 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054020 [0,0,0,0,1,0|1,0,2]=4 1627 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054022 [0,0,0,0,1,0|1,0,2]=4 1628 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22054119 [0,0,0,0,1,0|1,0,2]=4 1629 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22466635 [0,0,0,0,1,0|1,0,2]=4 1630 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22728947 [0,0,0,0,1,0|1,0,2]=4 1631 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729908 [0,0,0,0,1,0|1,0,2]=4 1632 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729969 [0,0,0,0,1,0|1,0,2]=4 1633 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22729970 [0,0,0,0,1,0|1,0,2]=4 1634 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22730028 [0,0,0,0,1,0|1,0,2]=4 1635 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22730125 [0,0,0,0,1,0|1,0,2]=4 1636 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22731170 [0,0,0,0,1,0|1,0,2]=4 1637 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22733289 [0,0,0,0,1,0|1,0,2]=4 1638 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22733723 [0,0,0,0,1,0|1,0,2]=4 1639 B6R0.2 C\C(\[O-])=C\C(C)=O Amb22735083 [0,0,0,0,1,0|1,0,2]=4 1640 B6R0.2 N=C(Cl)CC(O)=O Amb25796071 [0,0,0,0,1,0|2,0,0]=3 1641 B6R0.2 NC(=N)CC(=O)N Amb1981332 [0,0,0,0,1,0|3,0,0]=4 1642 B6R0.2 NC(=N)NC(=O)C Amb2236591 [0,0,0,0,1,0|3,0,0]=4 1643 B6R0.2 NC(=O)CC(=N)[NH3+] Amb2439350 [0,0,0,0,1,0|3,0,0]=4 1644 B6R0.2 NC(=O)CC(=O)N Amb1971463 [0,0,0,0,1,0|2,0,0]=3 1645 B6R0.2 NC(=O)CC(=S)N Amb1155422 [0,0,0,0,1,0|2,1,0]=4 1646 B6R0.2 NC(=O)CC(O)O Amb25810087 [0,0,0,0,1,0|1,0,2]=4 1647 B6R0.2 NC(=O)CC([O-])=O Amb22263088 [0,0,0,0,1,0|1,0,1]=3 1648 B6R0.2 NC(=O)[CH-]C(N)=O Amb24591184 [0,0,0,0,1,0|2,0,1]=4 1649 B6R0.2 NC(F)CC(O)=O Amb24479804 [0,0,0,0,1,0|2,0,1]=4 1650 B6R0.2 N[13C](=O)N[13C](N)=O Amb22367408 [0,0,0,0,1,0|3,0,0]=4 1651 B6R0.2 N[13C](=O)[13CH2][13C](=O)N Amb17616663 [0,0,0,0,1,0|2,0,0]=3 1652 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [0,0,0,0,1,0|1,0,2]=4 1653 B6R0.2 N[C@@H](F)CC(O)=O Amb25854307 [0,0,0,0,1,0|2,0,1]=4 1654 B6R0.2 OB(O)CC(O)=O Amb24053058 [0,0,0,0,1,0|2,0,1]=4 1655 B6R0.2 OC(=O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,1]=4 1656 B6R0.2 OC(=O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,1]=4 1657 B6R0.2 OC(=O)CC(=S)N Amb17465742 [0,0,0,0,1,0|1,1,0]=3 1658 B6R0.2 OC(=O)CC(F)Br Amb25336987 [0,0,0,0,1,0|2,0,1]=4 1659 B6R0.2 OC(=O)CC(F)F Amb22001551 [0,0,0,0,1,0|2,0,1]=4 1660 B6R0.2 OC(=O)CC(O)=O Amb21935659 [0,0,0,0,1,0|1,0,0]=2 1661 B6R0.2 OC(=O)CC(O)=O Amb22230690 [0,0,0,0,1,0|1,0,0]=2 1662 B6R0.2 OC(=O)CC(O)=O Amb22230927 [0,0,0,0,1,0|1,0,0]=2 1663 B6R0.2 OC(=O)CN(Cl)Cl Amb25133084 [0,0,0,0,1,0|3,0,0]=4 1664 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [0,0,0,0,1,0|1,0,0]=2 1665 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [0,0,0,0,1,0|1,0,0]=2 1666 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [0,0,0,0,1,0|1,0,0]=2 1667 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [0,0,0,0,1,0|2,0,0]=3 1668 B6R0.2 [13CH3]C(=O)OC([13CH3])=O Amb22336728 [0,0,0,0,1,0|2,0,0]=3 1669 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [0,0,0,0,1,0|0,0,3]=4 1670 B6R0.2 [13CH3][13C](=O)O[13C]([13CH3])=O Amb22338759 [0,0,0,0,1,0|2,0,0]=3 1671 B6R0.2 [15NH2]C(=O)[15NH]C([15NH2])=O Amb22367466 [0,0,0,0,1,0|3,0,0]=4 1672 B6R0.2 [15NH2]C(=[15N]C(=O)C)[15NH2] Amb17614859 [0,0,0,0,1,0|3,0,0]=4 1673 B6R0.2 [BH3-][S+](C)CC(O)=O Amb24480870 [0,0,0,0,1,0|2,0,0]=3 1674 B6R0.2 [O-]C(=O)CC(=O)[O-] Amb10070428 [0,0,0,0,1,0|1,0,1]=3 1675 B6R0.2 [O-]C(=O)CC([O-])=O Amb22730396 [0,0,0,0,1,0|1,0,1]=3 1676 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [0,0,0,0,1,0|0,0,3]=4 1677 B6R0.2 [O-][N+](=O)CC(=O)N Amb10069145 [0,0,0,0,1,0|2,0,1]=4 1678 B6R0.2 [O-][N+](=O)CC(=O)N Amb1101925 [0,0,0,0,1,0|2,0,1]=4 1679 B8R0.28 C=C(Br)CNCC(N)=O Amb18303969 [0,0,0,0,0,1|2,0,1]=4 1680 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [0,0,0,0,0,1|1,0,1]=3 1681 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [0,0,0,0,0,1|1,0,1]=3 1682 B8R0.28 C=C(Cl)CNCC(N)=O Amb18303604 [0,0,0,0,0,1|2,0,1]=4 1683 B8R0.28 C=C(Cl)COCC(N)=O Amb24744113 [0,0,0,0,0,1|2,0,1]=4 1684 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [0,0,0,0,0,1|1,0,1]=3 1685 B8R0.28 CC(=C)CCCC(C)=C Amb22228385 [0,0,0,0,0,1|3,0,0]=4 1686 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [0,0,0,0,0,1|2,0,0]=3 1687 B8R0.28 CC(=C)CCNC(N)=S Amb25084920 [0,0,0,0,0,1|2,1,0]=4 1688 B8R0.28 CC(=C)CCOC(N)=O Amb24760559 [0,0,0,0,0,1|2,0,0]=3 1689 B8R0.28 CC(=C)CNCC(=C)Cl Amb24688800 [0,0,0,0,0,1|3,0,0]=4 1690 B8R0.28 CC(=C)COCC(C)=C Amb17934025 [0,0,0,0,0,1|3,0,0]=4 1691 B8R0.28 CC(=C)CSCC(C)=C Amb21618743 [0,0,0,0,0,1|3,0,0]=4 1692 B8R0.28 CC(=C)C[Ru]CC(C)=C Amb22002190 [0,0,0,0,0,1|3,0,0]=4 1693 B8R0.28 CC(=C)\C=C\CC(O)=O Amb18642409 [0,0,0,0,0,1|1,0,1]=3 1694 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [0,0,0,0,0,1|1,0,0]=2 1695 B8R0.28 CC(=O)C=NNC(N)=O Amb24561654 [0,0,0,0,0,1|2,0,1]=4 1696 B8R0.28 CC(=O)CC=C=C(C)C Amb17593280 [0,0,0,0,0,1|2,0,1]=4 1697 B8R0.28 CC(=O)CCC=C(F)F Amb24478042 [0,0,0,0,0,1|2,0,0]=3 1698 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [0,0,0,0,0,1|1,0,1]=3 1699 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [0,0,0,0,0,1|1,0,0]=2 1700 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [0,0,0,0,0,1|1,0,0]=2 1701 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|0,0,0]=1 1702 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,0,1|1,0,0]=2 1703 B8R0.28 CC(=O)CCCC(Cl)Cl Amb24480288 [0,0,0,0,0,1|2,0,1]=4 1704 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,0,1|1,0,0]=2 1705 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [0,0,0,0,0,1|1,0,1]=3 1706 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [0,0,0,0,0,1|1,0,0]=2 1707 B8R0.28 CC(=O)CCOC(F)F Amb25276866 [0,0,0,0,0,1|2,0,1]=4 1708 B8R0.28 CC(=O)CCO[SiH](C)C Amb25233637 [0,0,0,0,0,1|2,1,0]=4 1709 B8R0.28 CC(=O)CC\C=C(/Cl)\C Amb17593664 [0,0,0,0,0,1|2,0,0]=3 1710 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [0,0,0,0,0,1|1,0,0]=2 1711 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,0,0,0,0,1|0,0,0]=1 1712 B8R0.28 CC(=O)COCC(F)F Amb24396675 [0,0,0,0,0,1|2,0,1]=4 1713 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [0,0,0,0,0,1|1,0,0]=2 1714 B8R0.28 CC(=O)CSCC(=C)Br Amb24421359 [0,0,0,0,0,1|2,0,0]=3 1715 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [0,0,0,0,0,1|1,0,0]=2 1716 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [0,0,0,0,0,1|0,0,1]=2 1717 B8R0.28 CC(=O)C\C=C/C(C)=C Amb25810284 [0,0,0,0,0,1|2,0,1]=4 1718 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,0,0,0,0,1|0,0,1]=2 1719 B8R0.28 CC(=O)C\C=C\C(C)=C Amb24744667 [0,0,0,0,0,1|2,0,1]=4 1720 B8R0.28 CC(=O)N=C=CC(C)=O Amb24072229 [0,0,0,0,0,1|1,0,2]=4 1721 B8R0.28 CC(=O)N=CNC(C)=O Amb24541273 [0,0,0,0,0,1|2,0,1]=4 1722 B8R0.28 CC(=O)NCCC(=S)N Amb17232012 [0,0,0,0,0,1|1,1,0]=3 1723 B8R0.28 CC(=O)NCCC(F)F Amb24534489 [0,0,0,0,0,1|2,0,1]=4 1724 B8R0.28 CC(=O)NOCC(N)=S Amb24451570 [0,0,0,0,0,1|2,1,0]=4 1725 B8R0.28 CC(=O)N\C=C\C(N)=O Amb24477760 [0,0,0,0,0,1|1,0,2]=4 1726 B8R0.28 CC(=O)OCC=C(F)F Amb16186005 [0,0,0,0,0,1|2,0,1]=4 1727 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,0,0,0,0,1|0,0,0]=1 1728 B8R0.28 CC(=O)OCCS(C)=O Amb24481662 [0,0,0,0,0,1|2,0,0]=3 1729 B8R0.28 CC(=O)O[Ba]OC(=O)C Amb10844613 [0,0,0,0,0,1|3,0,0]=4 1730 B8R0.28 CC(=O)O[Ca]OC(C)=O Amb22264860 [0,0,0,0,0,1|3,0,0]=4 1731 B8R0.28 CC(=O)O[Ca]OC(C)=O Amb22336267 [0,0,0,0,0,1|3,0,0]=4 1732 B8R0.28 CC(=O)O[Cd]OC(C)=O Amb22350451 [0,0,0,0,0,1|3,0,0]=4 1733 B8R0.28 CC(=O)O[Co]OC(C)=O Amb22338091 [0,0,0,0,0,1|3,0,0]=4 1734 B8R0.28 CC(=O)O[Co]OC(C)=O Amb22363263 [0,0,0,0,0,1|3,0,0]=4 1735 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22052496 [0,0,0,0,0,1|3,0,0]=4 1736 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22338197 [0,0,0,0,0,1|3,0,0]=4 1737 B8R0.28 CC(=O)O[Fe]OC(C)=O Amb22338217 [0,0,0,0,0,1|3,0,0]=4 1738 B8R0.28 CC(=O)O[Hg]OC(=O)C Amb16185776 [0,0,0,0,0,1|3,0,0]=4 1739 B8R0.28 CC(=O)O[Mg]OC(C)=O Amb22040076 [0,0,0,0,0,1|3,0,0]=4 1740 B8R0.28 CC(=O)O[Mg]OC(C)=O Amb22337577 [0,0,0,0,0,1|3,0,0]=4 1741 B8R0.28 CC(=O)O[Mn]OC(C)=O Amb22338042 [0,0,0,0,0,1|3,0,0]=4 1742 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22051702 [0,0,0,0,0,1|3,0,0]=4 1743 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22338559 [0,0,0,0,0,1|3,0,0]=4 1744 B8R0.28 CC(=O)O[Pb]OC(C)=O Amb22052504 [0,0,0,0,0,1|3,0,0]=4 1745 B8R0.28 CC(=O)O[Pb]OC(C)=O Amb22350672 [0,0,0,0,0,1|3,0,0]=4 1746 B8R0.28 CC(=O)O[Pb]OC(C)=O Amb22351529 [0,0,0,0,0,1|3,0,0]=4 1747 B8R0.28 CC(=O)O[Pb]OC(C)=O Amb22353099 [0,0,0,0,0,1|3,0,0]=4 1748 B8R0.28 CC(=O)O[Pd]OC(=O)C Amb13890307 [0,0,0,0,0,1|3,0,0]=4 1749 B8R0.28 CC(=O)O[Pd]OC(C)=O Amb19929253 [0,0,0,0,0,1|3,0,0]=4 1750 B8R0.28 CC(=O)O[Rh]OC(C)=O Amb19929807 [0,0,0,0,0,1|3,0,0]=4 1751 B8R0.28 CC(=O)O[Sr]OC(C)=O Amb22348499 [0,0,0,0,0,1|3,0,0]=4 1752 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22337710 [0,0,0,0,0,1|3,0,0]=4 1753 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22351898 [0,0,0,0,0,1|3,0,0]=4 1754 B8R0.28 CC(=O)O\N=C\C(C)=O Amb25043999 [0,0,0,0,0,1|2,0,1]=4 1755 B8R0.28 CC(=O)SCC=C(C)C Amb17617246 [0,0,0,0,0,1|2,0,1]=4 1756 B8R0.28 CC(=O)SCCB(O)O Amb25854421 [0,0,0,0,0,1|1,0,1]=3 1757 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [0,0,0,0,0,1|1,0,0]=2 1758 B8R0.28 CC(=O)SCNC(C)=O Amb24662115 [0,0,0,0,0,1|2,0,0]=3 1759 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [0,0,0,0,0,1|1,0,1]=3 1760 B8R0.28 CC(=O)\C=C/NC(C)=O Amb24072874 [0,0,0,0,0,1|1,0,2]=4 1761 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [0,0,0,0,0,1|1,0,1]=3 1762 B8R0.28 CC(=O)\C=C\NC(C)=O Amb24072848 [0,0,0,0,0,1|1,0,2]=4 1763 B8R0.28 CC(=O)\C=C\OC(C)=O Amb25225602 [0,0,0,0,0,1|1,0,2]=4 1764 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,0,0,0,0,1|0,0,1]=2 1765 B8R0.28 CC(=S)NCCC(C)=O Amb24682550 [0,0,0,0,0,1|1,1,0]=3 1766 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [0,0,0,0,0,1|0,1,0]=2 1767 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [0,0,0,0,0,1|1,0,0]=2 1768 B8R0.28 CC(Br)CCCC(=O)Cl Amb25364942 [0,0,0,0,0,1|2,0,1]=4 1769 B8R0.28 CC(Br)CCCC(C)=O Amb24340312 [0,0,0,0,0,1|2,0,1]=4 1770 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [0,0,0,0,0,1|1,0,1]=3 1771 B8R0.28 CC(Br)CCNC(C)=O Amb24618949 [0,0,0,0,0,1|2,0,1]=4 1772 B8R0.28 CC(Br)CCOC(C)=O Amb24626624 [0,0,0,0,0,1|2,0,1]=4 1773 B8R0.28 CC(C)/C=C/CC(O)=O Amb17844074 [0,0,0,0,0,1|1,0,2]=4 1774 B8R0.28 CC(C)=CC#CC(O)=O Amb24670652 [0,0,0,0,0,1|1,0,2]=4 1775 B8R0.28 CC(C)=CCCC(N)=O Amb24655596 [0,0,0,0,0,1|2,0,0]=3 1776 B8R0.28 CC(C)=CCNC(N)=O Amb25858742 [0,0,0,0,0,1|2,0,1]=4 1777 B8R0.28 CC(C)=CCOC(=O)Cl Amb24455011 [0,0,0,0,0,1|2,0,1]=4 1778 B8R0.28 CC(C)=CCOC(C)=O Amb22002433 [0,0,0,0,0,1|2,0,1]=4 1779 B8R0.28 CC(C)=CCOC(N)=O Amb25378568 [0,0,0,0,0,1|2,0,1]=4 1780 B8R0.28 CC(C)=COCC(C)=O Amb24389019 [0,0,0,0,0,1|2,0,1]=4 1781 B8R0.28 CC(C)=C\C=C\C(O)=O Amb18642414 [0,0,0,0,0,1|1,0,2]=4 1782 B8R0.28 CC(C)CCCC(=O)Cl Amb24477882 [0,0,0,0,0,1|2,0,1]=4 1783 B8R0.28 CC(C)CCCC(N)=O Amb24579456 [0,0,0,0,0,1|2,0,1]=4 1784 B8R0.28 CC(C)CCNC(=O)Cl Amb25378849 [0,0,0,0,0,1|2,0,1]=4 1785 B8R0.28 CC(C)CCOC(N)=O Amb25299964 [0,0,0,0,0,1|2,0,1]=4 1786 B8R0.28 CC(C)CCSC(N)=O Amb24680835 [0,0,0,0,0,1|2,0,1]=4 1787 B8R0.28 CC(C)CNCC(C)=O Amb25067661 [0,0,0,0,0,1|2,0,1]=4 1788 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [0,0,0,0,0,1|1,0,1]=3 1789 B8R0.28 CC(C)CNCS(O)=O Amb24478690 [0,0,0,0,0,1|2,0,1]=4 1790 B8R0.28 CC(C)CSCC(N)=O Amb25283648 [0,0,0,0,0,1|2,0,1]=4 1791 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [0,0,0,0,0,1|2,0,1]=4 1792 B8R0.28 CC(C)OCCC(C)=O Amb22229804 [0,0,0,0,0,1|2,0,1]=4 1793 B8R0.28 CC(C)OCCC(N)=O Amb25783535 [0,0,0,0,0,1|2,0,1]=4 1794 B8R0.28 CC(C)OCCS(O)=O Amb24551322 [0,0,0,0,0,1|2,0,1]=4 1795 B8R0.28 CC(C)ONCC(O)=O Amb24690245 [0,0,0,0,0,1|2,0,1]=4 1796 B8R0.28 CC(C)SCCC(N)=O Amb25739954 [0,0,0,0,0,1|2,0,1]=4 1797 B8R0.28 CC(C)SSCC(O)=O Amb24425479 [0,0,0,0,0,1|2,0,1]=4 1798 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [0,0,0,0,0,1|0,0,2]=3 1799 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [0,0,0,0,0,1|0,0,3]=4 1800 B8R0.28 CC(CCNC(=O)N)C Amb1104833 [0,0,0,0,0,1|2,0,1]=4 1801 B8R0.28 CC(CNCC(=C)C)O Amb17308667 [0,0,0,0,0,1|2,0,1]=4 1802 B8R0.28 CC(CNCC(=O)N)C Amb1118171 [0,0,0,0,0,1|2,0,1]=4 1803 B8R0.28 CC(COCC(=O)N)C Amb2131093 [0,0,0,0,0,1|2,0,1]=4 1804 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [0,0,0,0,0,1|1,0,1]=3 1805 B8R0.28 CC(Cl)=CCCC(C)=O Amb25274421 [0,0,0,0,0,1|2,0,0]=3 1806 B8R0.28 CC(Cl)=CCNC(C)=O Amb25111784 [0,0,0,0,0,1|2,0,1]=4 1807 B8R0.28 CC(Cl)=CCNC(N)=O Amb25174965 [0,0,0,0,0,1|2,0,1]=4 1808 B8R0.28 CC(Cl)CCCC(C)=O Amb25724389 [0,0,0,0,0,1|2,0,1]=4 1809 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [0,0,0,0,0,1|1,0,1]=3 1810 B8R0.28 CC(Cl)CCSC(C)=O Amb25146226 [0,0,0,0,0,1|2,0,1]=4 1811 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [0,0,0,0,0,1|1,0,1]=3 1812 B8R0.28 CC(F)CCOC(C)=O Amb24481945 [0,0,0,0,0,1|2,0,1]=4 1813 B8R0.28 CC(F)COCC(C)=O Amb25178543 [0,0,0,0,0,1|2,0,1]=4 1814 B8R0.28 CC(N)=NN=CC(O)=O Amb24455612 [0,0,0,0,0,1|2,0,1]=4 1815 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [0,0,0,0,0,1|1,0,1]=3 1816 B8R0.28 CC(N)CCNC(C)=O Amb24384456 [0,0,0,0,0,1|2,0,1]=4 1817 B8R0.28 CC(N)COCC(O)=O Amb25368702 [0,0,0,0,0,1|1,0,1]=3 1818 B8R0.28 CC(NCCC(=O)O)C Amb1106349 [0,0,0,0,0,1|1,0,1]=3 1819 B8R0.28 CC(O)CCCC(C)=C Amb24478673 [0,0,0,0,0,1|2,0,1]=4 1820 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [0,0,0,0,0,1|1,0,1]=3 1821 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [0,0,0,0,0,1|1,0,2]=4 1822 B8R0.28 CC(O)CCNS(C)=O Amb25176978 [0,0,0,0,0,1|2,0,1]=4 1823 B8R0.28 CC(O)CCOC(N)=O Amb25293990 [0,0,0,0,0,1|1,0,2]=4 1824 B8R0.28 CC(O)CCSC(C)=O Amb25846896 [0,0,0,0,0,1|1,0,1]=3 1825 B8R0.28 CC(O)CC\C=C(\C)/Br Amb24430963 [0,0,0,0,0,1|2,0,1]=4 1826 B8R0.28 CC(O)CNCC(C)=O Amb24589662 [0,0,0,0,0,1|1,0,1]=3 1827 B8R0.28 CC(O)CSCC(N)=O Amb25690591 [0,0,0,0,0,1|1,0,2]=4 1828 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [0,0,0,0,0,1|0,0,2]=3 1829 B8R0.28 CC(O)C\C=C\C(O)=O Amb18642771 [0,0,0,0,0,1|0,0,3]=4 1830 B8R0.28 CC(O)NCCC(N)=O Amb24446895 [0,0,0,0,0,1|1,0,2]=4 1831 B8R0.28 CC(S)CCOC(C)=O Amb25077156 [0,0,0,0,0,1|1,1,1]=4 1832 B8R0.28 CC(S)\C=C/CC(O)=O Amb18644289 [0,0,0,0,0,1|0,1,2]=4 1833 B8R0.28 CC(S)\C=C\CC(O)=O Amb24514919 [0,0,0,0,0,1|0,1,2]=4 1834 B8R0.28 CN(C)C=NCC(O)=O Amb24740176 [0,0,0,0,0,1|2,0,1]=4 1835 B8R0.28 CN(C)CC#CC(O)=O Amb24471923 [0,0,0,0,0,1|2,0,1]=4 1836 B8R0.28 CN(C)CCNC(O)=S Amb25106929 [0,0,0,0,0,1|2,1,0]=4 1837 B8R0.28 CN(C)NCCC(O)=O Amb24113891 [0,0,0,0,0,1|2,0,0]=3 1838 B8R0.28 CN(CCNC(=O)N)C Amb1129425 [0,0,0,0,0,1|3,0,0]=4 1839 B8R0.28 CN(C\C=C\C(=O)O)C Amb15695416 [0,0,0,0,0,1|2,0,1]=4 1840 B8R0.28 CS(=O)CCCC(N)=S Amb24629819 [0,0,0,0,0,1|2,1,0]=4 1841 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [0,0,0,0,0,1|1,0,0]=2 1842 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [0,0,0,0,0,1|1,0,1]=3 1843 B8R0.28 CS(=O)NOCC(O)=O Amb24588744 [0,0,0,0,0,1|2,0,0]=3 1844 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [0,0,0,0,0,1|1,0,1]=3 1845 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [0,0,0,0,0,1|1,0,1]=3 1846 B8R0.28 C[C@@H](O)CCC=C(C)C Amb22049561 [0,0,0,0,0,1|2,0,1]=4 1847 B8R0.28 C[C@@H](O)CCOC(C)=O Amb25357488 [0,0,0,0,0,1|1,0,1]=3 1848 B8R0.28 C[C@@H](O)CNCC(N)=O Amb25260382 [0,0,0,0,0,1|1,0,2]=4 1849 B8R0.28 C[C@@H](O)CSCC(N)=O Amb25799456 [0,0,0,0,0,1|1,0,2]=4 1850 B8R0.28 C[C@@H](O)C\C=C\C(O)=O Amb25250610 [0,0,0,0,0,1|0,0,3]=4 1851 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [0,0,0,0,0,1|1,0,1]=3 1852 B8R0.28 C[C@H](N)CSCC(N)=O Amb25054209 [0,0,0,0,0,1|2,0,1]=4 1853 B8R0.28 C[C@H](O)CC#CC(O)=O Amb24627681 [0,0,0,0,0,1|0,0,3]=4 1854 B8R0.28 C[C@H](O)CCC=C(C)C Amb22049564 [0,0,0,0,0,1|2,0,1]=4 1855 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [0,0,0,0,0,1|0,0,2]=3 1856 B8R0.28 C[C@H](O)CCNC(N)=O Amb25272281 [0,0,0,0,0,1|1,0,2]=4 1857 B8R0.28 C[C@H](O)CSCC(N)=O Amb25202527 [0,0,0,0,0,1|1,0,2]=4 1858 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [0,0,0,0,0,1|2,0,0]=3 1859 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [0,0,0,0,0,1|2,0,0]=3 1860 B8R0.28 NC(=N)NCCS(O)=O Amb25103204 [0,0,0,0,0,1|3,0,0]=4 1861 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [0,0,0,0,0,1|3,0,0]=4 1862 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [0,0,0,0,0,1|2,0,0]=3 1863 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [0,0,0,0,0,1|2,0,1]=4 1864 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [0,0,0,0,0,1|2,0,0]=3 1865 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [0,0,0,0,0,1|2,0,0]=3 1866 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,0]=2 1867 B8R0.28 NC(=O)CSCC(N)=N Amb23313355 [0,0,0,0,0,1|3,0,0]=4 1868 B8R0.28 NC(=O)NCCB(O)O Amb25246659 [0,0,0,0,0,1|2,0,1]=4 1869 B8R0.28 NC(=O)NCCC(N)=N Amb25102435 [0,0,0,0,0,1|3,0,0]=4 1870 B8R0.28 NC(=O)NCNC(N)=O Amb24105508 [0,0,0,0,0,1|3,0,0]=4 1871 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [0,0,0,0,0,1|2,0,1]=4 1872 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,1]=4 1873 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [0,0,0,0,0,1|2,0,1]=4 1874 B8R0.28 NC(=S)CCOC(N)=O Amb25104739 [0,0,0,0,0,1|2,1,0]=4 1875 B8R0.28 NC(=S)SCCC(N)=O Amb24691673 [0,0,0,0,0,1|2,1,0]=4 1876 B8R0.28 NC(N)=NCCC(=O)Cl Amb24524091 [0,0,0,0,0,1|3,0,0]=4 1877 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [0,0,0,0,0,1|2,0,0]=3 1878 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,0,1|2,0,0]=3 1879 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,0,1|1,0,1]=3 1880 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|1,0,2]=4 1881 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [0,0,0,0,0,1|1,0,0]=2 1882 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [0,0,0,0,0,1|2,0,0]=3 1883 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,0,0,0,0,1|1,0,0]=2 1884 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [0,0,0,0,0,1|2,0,1]=4 1885 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [0,0,0,0,0,1|2,0,1]=4 1886 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,0,1|1,0,0]=2 1887 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,0,1|1,0,0]=2 1888 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,0,0,0,0,1|2,0,0]=3 1889 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,0,0,0,0,1|0,0,0]=1 1890 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [0,0,0,0,0,1|1,1,0]=3 1891 B8R0.28 OC(=O)CCOC(F)F Amb25342869 [0,0,0,0,0,1|2,0,1]=4 1892 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [0,0,0,0,0,1|2,0,0]=3 1893 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,0,0,0,0,1|0,0,0]=1 1894 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,0,0,0,0,1|2,0,1]=4 1895 B8R0.28 OC(=O)CNCC(F)F Amb24433048 [0,0,0,0,0,1|2,0,1]=4 1896 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,0,0,0,0,1|2,0,0]=3 1897 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,0,0,0,0,1|1,0,0]=2 1898 B8R0.28 OC(=O)CSC=C(Cl)Cl Amb24479937 [0,0,0,0,0,1|2,0,1]=4 1899 B8R0.28 OC(=O)CSCC(F)F Amb18791606 [0,0,0,0,0,1|2,0,1]=4 1900 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,0,1|1,0,1]=3 1901 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,0,0,0,0,1|3,0,0]=4 1902 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,0,0,0,0,1|1,0,1]=3 1903 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [0,0,0,0,0,1|1,0,2]=4 1904 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,0,1|1,0,0]=2 1905 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [0,0,0,0,0,1|1,0,1]=3 1906 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [0,0,0,0,0,1|1,0,1]=3 1907 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [0,0,0,0,0,1|1,0,1]=3 1908 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [0,0,0,0,0,1|2,0,0]=3 1909 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [0,0,0,0,0,1|2,0,0]=3 1910 B5R0.1 BC(=O)NCC Amb22343194 [2,0,0,0,0,0|2,0,0]=4 1911 B5R0.1 C/C=C/C(C)=O Amb17940030 [2,0,0,0,0,0|1,0,1]=4 1912 B5R0.1 C=C(F)CCO Amb25747437 [2,0,0,0,0,0|1,0,1]=4 1913 B5R0.1 C=C=CC(O)=O Amb24391957 [2,0,0,0,0,0|0,0,2]=4 1914 B5R0.1 CC(=C)CC=C Amb22347764 [2,0,0,0,0,0|1,0,1]=4 1915 B5R0.1 CC(=C)CCBr Amb21857866 [2,0,0,0,0,0|2,0,0]=4 1916 B5R0.1 CC(=C)CCN Amb17673481 [2,0,0,0,0,0|2,0,0]=4 1917 B5R0.1 CC(=C)NC=O Amb25065862 [2,0,0,0,0,0|2,0,0]=4 1918 B5R0.1 CC(=N)NCO Amb24751321 [2,0,0,0,0,0|2,0,0]=4 1919 B5R0.1 CC(=O)C=C=C Amb23447108 [2,0,0,0,0,0|0,0,2]=4 1920 B5R0.1 CC(=O)CC#C Amb17673302 [2,0,0,0,0,0|0,0,2]=4 1921 B5R0.1 CC(=O)CC#N Amb1102132 [2,0,0,0,0,0|1,0,1]=4 1922 B5R0.1 CC(=O)CC#N Amb22274239 [2,0,0,0,0,0|1,0,1]=4 1923 B5R0.1 CC(=O)CC=O Amb17666764 [2,0,0,0,0,0|0,0,0]=2 1924 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|1,0,0]=3 1925 B5R0.1 CC(=O)CCN Amb10067110 [2,0,0,0,0,0|1,0,0]=3 1926 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|1,0,0]=3 1927 B5R0.1 CC(=O)CN=O Amb24645582 [2,0,0,0,0,0|1,0,0]=3 1928 B5R0.1 CC(=O)CON Amb25128844 [2,0,0,0,0,0|2,0,0]=4 1929 B5R0.1 CC(=O)CSCl Amb24631131 [2,0,0,0,0,0|2,0,0]=4 1930 B5R0.1 CC(=O)NC=C Amb24323579 [2,0,0,0,0,0|1,0,1]=4 1931 B5R0.1 CC(=O)NC=S Amb24390998 [2,0,0,0,0,0|1,1,0]=4 1932 B5R0.1 CC(=O)NCCl Amb25790034 [2,0,0,0,0,0|2,0,0]=4 1933 B5R0.1 CC(=O)NCS Amb25124326 [2,0,0,0,0,0|1,1,0]=4 1934 B5R0.1 CC(=O)OC=C Amb21618930 [2,0,0,0,0,0|1,0,1]=4 1935 B5R0.1 CC(=O)OC=C Amb22338143 [2,0,0,0,0,0|1,0,1]=4 1936 B5R0.1 CC(=O)OC=C Amb22338476 [2,0,0,0,0,0|1,0,1]=4 1937 B5R0.1 CC(=O)OC=C Amb22366845 [2,0,0,0,0,0|1,0,1]=4 1938 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|1,0,0]=3 1939 B5R0.1 CC(=O)OCCl Amb17673336 [2,0,0,0,0,0|2,0,0]=4 1940 B5R0.1 CC(=O)OCI Amb25226851 [2,0,0,0,0,0|2,0,0]=4 1941 B5R0.1 CC(=O)OCN Amb24359000 [2,0,0,0,0,0|2,0,0]=4 1942 B5R0.1 CC(=O)O[13CH]=[13CH2] Amb22351356 [2,0,0,0,0,0|1,0,1]=4 1943 B5R0.1 CC(=O)SCBr Amb25349900 [2,0,0,0,0,0|2,0,0]=4 1944 B5R0.1 CC(=O)\C=C/N Amb25147403 [2,0,0,0,0,0|1,0,1]=4 1945 B5R0.1 CC(=O)\C=C\Br Amb25803449 [2,0,0,0,0,0|1,0,1]=4 1946 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [2,0,0,0,0,0|1,0,1]=4 1947 B5R0.1 CC(=O)\C=C\I Amb25269482 [2,0,0,0,0,0|1,0,1]=4 1948 B5R0.1 CC(=S)NCO Amb25739054 [2,0,0,0,0,0|1,1,0]=4 1949 B5R0.1 CC(Br)=CCO Amb25719036 [2,0,0,0,0,0|1,0,1]=4 1950 B5R0.1 CC(Br)CC=O Amb25074611 [2,0,0,0,0,0|1,0,1]=4 1951 B5R0.1 CC(C)C[13CH]=O Amb22353955 [2,0,0,0,0,0|1,0,1]=4 1952 B5R0.1 CC(Cl)=CCO Amb24061938 [2,0,0,0,0,0|1,0,1]=4 1953 B5R0.1 CC(Cl)CC=O Amb18640602 [2,0,0,0,0,0|1,0,1]=4 1954 B5R0.1 CC(F)CCO Amb21951900 [2,0,0,0,0,0|1,0,1]=4 1955 B5R0.1 CC(I)=CCO Amb24652791 [2,0,0,0,0,0|1,0,1]=4 1956 B5R0.1 CC(N)CC=O Amb25292247 [2,0,0,0,0,0|1,0,1]=4 1957 B5R0.1 CC(O)CCO Amb22227721 [2,0,0,0,0,0|0,0,2]=4 1958 B5R0.1 CC(O)CCO Amb22232248 [2,0,0,0,0,0|0,0,2]=4 1959 B5R0.1 CC(S)CC=O Amb18122380 [2,0,0,0,0,0|0,1,1]=4 1960 B5R0.1 CC(S)CCO Amb19148316 [2,0,0,0,0,0|0,1,1]=4 1961 B5R0.1 CC=CC(C)=O Amb24061083 [2,0,0,0,0,0|1,0,1]=4 1962 B5R0.1 CCCB(O)O Amb2447105 [2,0,0,0,0,0|1,0,1]=4 1963 B5R0.1 CCCC(=C)Br Amb22583743 [2,0,0,0,0,0|2,0,0]=4 1964 B5R0.1 CCCC(=N)N Amb10610381 [2,0,0,0,0,0|2,0,0]=4 1965 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,0]=3 1966 B5R0.1 CCCC(=S)Cl Amb24626931 [2,0,0,0,0,0|1,1,0]=4 1967 B5R0.1 CCCC(N)O Amb25147414 [2,0,0,0,0,0|1,0,1]=4 1968 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,0]=3 1969 B5R0.1 CCCC(O)Br Amb25106743 [2,0,0,0,0,0|1,0,1]=4 1970 B5R0.1 CCCC(O)Cl Amb22552567 [2,0,0,0,0,0|1,0,1]=4 1971 B5R0.1 CCCC([O-])=O Amb17772223 [2,0,0,0,0,0|0,0,1]=3 1972 B5R0.1 CCCC([O-])=O Amb22732283 [2,0,0,0,0,0|0,0,1]=3 1973 B5R0.1 CCCC([O-])=O Amb22732651 [2,0,0,0,0,0|0,0,1]=3 1974 B5R0.1 CCCN(C)O Amb25024622 [2,0,0,0,0,0|2,0,0]=4 1975 B5R0.1 CCCS(=O)Cl Amb25025566 [2,0,0,0,0,0|2,0,0]=4 1976 B5R0.1 CCCS(N)=O Amb24733579 [2,0,0,0,0,0|2,0,0]=4 1977 B5R0.1 CCCS(O)=O Amb24615072 [2,0,0,0,0,0|1,0,0]=3 1978 B5R0.1 CCCS([O-])=O Amb19929119 [2,0,0,0,0,0|1,0,1]=4 1979 B5R0.1 CCC[13C](O)=O Amb22337992 [2,0,0,0,0,0|0,0,0]=2 1980 B5R0.1 CCC[13C](O)=O Amb22338339 [2,0,0,0,0,0|0,0,0]=2 1981 B5R0.1 CCNC(=O)Br Amb24563760 [2,0,0,0,0,0|2,0,0]=4 1982 B5R0.1 CCNC(=O)Cl Amb25791793 [2,0,0,0,0,0|2,0,0]=4 1983 B5R0.1 CCNC(O)=S Amb24612743 [2,0,0,0,0,0|1,1,0]=4 1984 B5R0.1 CCOC([13CH3])=O Amb22363103 [2,0,0,0,0,0|1,0,1]=4 1985 B5R0.1 CCOP(O)=O Amb22360741 [2,0,0,0,0,0|2,0,0]=4 1986 B5R0.1 CCO[13C](C)=O Amb22363160 [2,0,0,0,0,0|1,0,1]=4 1987 B5R0.1 CCO[13C]([13CH3])=O Amb22351310 [2,0,0,0,0,0|1,0,1]=4 1988 B5R0.1 CCO[14C](N)=O Amb22732757 [2,0,0,0,0,0|2,0,0]=4 1989 B5R0.1 CCSC(N)=O Amb24394612 [2,0,0,0,0,0|2,0,0]=4 1990 B5R0.1 CC[13CH2]C(O)=O Amb22367520 [2,0,0,0,0,0|0,0,0]=2 1991 B5R0.1 CC[13CH2]C([O-])=O Amb22351787 [2,0,0,0,0,0|0,0,1]=3 1992 B5R0.1 CC[13CH2][13C](O)=O Amb22351790 [2,0,0,0,0,0|0,0,0]=2 1993 B5R0.1 CN(C)CC=O Amb22002191 [2,0,0,0,0,0|2,0,0]=4 1994 B5R0.1 CN(C)CC=O Amb22491245 [2,0,0,0,0,0|2,0,0]=4 1995 B5R0.1 CN(C)CC=O Amb22491584 [2,0,0,0,0,0|2,0,0]=4 1996 B5R0.1 CN(C)CC=O Amb22756473 [2,0,0,0,0,0|2,0,0]=4 1997 B5R0.1 CN(C)CC=O Amb23440511 [2,0,0,0,0,0|2,0,0]=4 1998 B5R0.1 CN(O)CCO Amb25234570 [2,0,0,0,0,0|1,0,1]=4 1999 B5R0.1 CNCC(=O)C Amb17621974 [2,0,0,0,0,0|1,0,1]=4 2000 B5R0.1 CNCC(=O)N Amb10610205 [2,0,0,0,0,0|2,0,0]=4 2001 B5R0.1 CNCC(C)=O Amb21959975 [2,0,0,0,0,0|1,0,1]=4 2002 B5R0.1 CNCC([O-])=O Amb20246714 [2,0,0,0,0,0|1,0,1]=4 2003 B5R0.1 CNCP(O)=O Amb24478116 [2,0,0,0,0,0|2,0,0]=4 2004 B5R0.1 COCC(=O)Br Amb25282928 [2,0,0,0,0,0|2,0,0]=4 2005 B5R0.1 COCC(=O)N Amb1153776 [2,0,0,0,0,0|2,0,0]=4 2006 B5R0.1 CS(=O)CC=O Amb25173706 [2,0,0,0,0,0|1,0,0]=3 2007 B5R0.1 CS(=O)CCCl Amb24116979 [2,0,0,0,0,0|2,0,0]=4 2008 B5R0.1 CS(=O)CCN Amb19889121 [2,0,0,0,0,0|2,0,0]=4 2009 B5R0.1 CS(=O)CCN Amb20248083 [2,0,0,0,0,0|2,0,0]=4 2010 B5R0.1 CSCC(=O)Cl Amb24528357 [2,0,0,0,0,0|2,0,0]=4 2011 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,0]=3 2012 B5R0.1 CSCC(C)=O Amb20621731 [2,0,0,0,0,0|1,0,1]=4 2013 B5R0.1 CSCC(N)=O Amb19515874 [2,0,0,0,0,0|2,0,0]=4 2014 B5R0.1 C[13CH2]CC([O-])=O Amb22367521 [2,0,0,0,0,0|0,0,1]=3 2015 B5R0.1 C[C@@H](Cl)CCO Amb24478443 [2,0,0,0,0,0|1,0,1]=4 2016 B5R0.1 C[C@@H](N)CCO Amb19515999 [2,0,0,0,0,0|1,0,1]=4 2017 B5R0.1 C[C@@H](N)CCO Amb22746127 [2,0,0,0,0,0|1,0,1]=4 2018 B5R0.1 C[C@@H](O)CC=O Amb24356009 [2,0,0,0,0,0|0,0,2]=4 2019 B5R0.1 C[C@H](N)CCO Amb19515998 [2,0,0,0,0,0|1,0,1]=4 2020 B5R0.1 C[C@H](N)CCO Amb24055217 [2,0,0,0,0,0|1,0,1]=4 2021 B5R0.1 C[NH+](C)CCO Amb22493791 [2,0,0,0,0,0|2,0,0]=4 2022 B5R0.1 C[S+](C)CCO Amb24420852 [2,0,0,0,0,0|2,0,0]=4 2023 B5R0.1 C[SiH](C)CCO Amb25184701 [2,0,0,0,0,0|1,1,0]=4 2024 B5R0.1 C\C(=C/CO)\I Amb17616110 [2,0,0,0,0,0|1,0,1]=4 2025 B5R0.1 C\C(\Br)=C\C=O Amb18124620 [2,0,0,0,0,0|1,0,1]=4 2026 B5R0.1 C\C(\Cl)=C/C=O Amb18640408 [2,0,0,0,0,0|1,0,1]=4 2027 B5R0.1 C\C(\Cl)=C\CO Amb25663061 [2,0,0,0,0,0|1,0,1]=4 2028 B5R0.1 C\C(\I)=C/C=O Amb25095164 [2,0,0,0,0,0|1,0,1]=4 2029 B5R0.1 C\C(\I)=C\C=O Amb24424054 [2,0,0,0,0,0|1,0,1]=4 2030 B5R0.1 C\C=C\C(=O)Br Amb25026006 [2,0,0,0,0,0|1,0,1]=4 2031 B5R0.1 C\C=C\C([O-])=O Amb22231404 [2,0,0,0,0,0|0,0,2]=4 2032 B5R0.1 N#CCC(O)=O Amb20247050 [2,0,0,0,0,0|1,0,1]=4 2033 B5R0.1 NC(=O)CC=C Amb17610156 [2,0,0,0,0,0|1,0,1]=4 2034 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,0]=3 2035 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 2036 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 2037 B5R0.1 NC(=O)CNO Amb25199017 [2,0,0,0,0,0|2,0,0]=4 2038 B5R0.1 NC(=O)NCO Amb17674341 [2,0,0,0,0,0|2,0,0]=4 2039 B5R0.1 NC(=O)OCO Amb25662384 [2,0,0,0,0,0|2,0,0]=4 2040 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 2041 B5R0.1 NCCC(=O)N Amb1137251 [2,0,0,0,0,0|2,0,0]=4 2042 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 2043 B5R0.1 NCCP(O)=O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 2044 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 2045 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 2046 B5R0.1 O=C(Br)CCCl Amb24474527 [2,0,0,0,0,0|2,0,0]=4 2047 B5R0.1 O=C(I)CCCl Amb25146462 [2,0,0,0,0,0|2,0,0]=4 2048 B5R0.1 O=C=CC(=O)C Amb10603952 [2,0,0,0,0,0|0,0,2]=4 2049 B5R0.1 O=C=NC(=O)C Amb17231800 [2,0,0,0,0,0|1,0,1]=4 2050 B5R0.1 OC(=O)C=C=O Amb24671304 [2,0,0,0,0,0|0,0,2]=4 2051 B5R0.1 OC(=O)CC=O Amb22169407 [2,0,0,0,0,0|0,0,0]=2 2052 B5R0.1 OC(=O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 2053 B5R0.1 OC(=O)CI=O Amb25146428 [2,0,0,0,0,0|1,0,0]=3 2054 B5R0.1 OC(=O)CNBr Amb25053433 [2,0,0,0,0,0|2,0,0]=4 2055 B5R0.1 OC(=O)CNCl Amb24653229 [2,0,0,0,0,0|2,0,0]=4 2056 B5R0.1 OC(=O)CNI Amb25216175 [2,0,0,0,0,0|2,0,0]=4 2057 B5R0.1 OC(=O)CSCl Amb24597301 [2,0,0,0,0,0|2,0,0]=4 2058 B5R0.1 OC(=O)C[Hg]Cl Amb22347659 [2,0,0,0,0,0|2,0,0]=4 2059 B5R0.1 OC(=O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,1]=4 2060 B5R0.1 OC(=O)\C=C\F Amb24417763 [2,0,0,0,0,0|1,0,1]=4 2061 B5R0.1 OC(=O)\C=C\I Amb20242758 [2,0,0,0,0,0|1,0,1]=4 2062 B5R0.1 OCCS(=O)=O Amb24474283 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.1 ONCC(O)=O Amb24120360 [2,0,0,0,0,0|1,0,1]=4 2064 B5R0.1 OP(=O)CC=O Amb25706451 [2,0,0,0,0,0|1,0,0]=3 2065 B5R0.1 OP(=O)CCBr Amb24634095 [2,0,0,0,0,0|2,0,0]=4 2066 B5R0.1 OP(=O)CCCl Amb24465178 [2,0,0,0,0,0|2,0,0]=4 2067 B5R0.1 [13CH3]CCC([O-])=O Amb22351845 [2,0,0,0,0,0|0,0,1]=3 2068 B5R0.1 [13CH3]C[13CH2]C([O-])=O Amb22351704 [2,0,0,0,0,0|0,0,1]=3 2069 B5R0.1 [13CH3][13CH2][13CH2][13C]([O-])=O Amb22353296 [2,0,0,0,0,0|0,0,1]=3 2070 B5R0.1 [15NH2]C[13CH2][13C](O)=O Amb22353834 [2,0,0,0,0,0|1,0,0]=3 2071 B5R0.1 [15NH2][13CH2][13CH2][13C](O)=O Amb22353457 [2,0,0,0,0,0|1,0,0]=3 2072 B5R0.1 [2H]C(=O)OCC Amb22336312 [2,0,0,0,0,0|2,0,0]=4 2073 B5R0.1 [O-]C(=O)CCBr Amb22229633 [2,0,0,0,0,0|1,0,1]=4 2074 B5R0.1 [O-]C(=O)CCCl Amb10604124 [2,0,0,0,0,0|1,0,1]=4 2075 B5R0.1 [O-]C(=O)CCCl Amb22051669 [2,0,0,0,0,0|1,0,1]=4 2076 B5R0.1 [O-]C(=O)CCO Amb22055495 [2,0,0,0,0,0|1,0,0]=3 2077 B5R0.1 [O-]\C=C\C(=O)C Amb15772268 [2,0,0,0,0,0|0,0,2]=4 2078 B5R0.1 [O-]\C=C\C(=O)C Amb2228039 [2,0,0,0,0,0|0,0,2]=4 2079 B5R0.2 C=CCOC=O Amb22051694 [2,0,0,0,0,0|1,0,1]=4 2080 B5R0.2 CCCCC=C Amb22338530 [2,0,0,0,0,0|1,0,1]=4 2081 B5R0.2 CCCCNO Amb24686451 [2,0,0,0,0,0|1,0,1]=4 2082 B5R0.2 CCSCC=O Amb17940620 [2,0,0,0,0,0|1,0,1]=4 2083 B5R0.2 CNCCC=C Amb18993048 [2,0,0,0,0,0|2,0,0]=4 2084 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|1,0,0]=3 2085 B5R0.2 COCCNO Amb25284480 [2,0,0,0,0,0|2,0,0]=4 2086 B5R0.2 CSCCC=C Amb24431590 [2,0,0,0,0,0|2,0,0]=4 2087 B5R0.2 CSCNC=O Amb24421815 [2,0,0,0,0,0|2,0,0]=4 2088 B5R0.2 C\C=C/CC=O Amb24728871 [2,0,0,0,0,0|0,0,1]=3 2089 B5R0.2 C\C=C/CCO Amb19930204 [2,0,0,0,0,0|0,0,2]=4 2090 B5R0.2 C\C=C\CCO Amb24655557 [2,0,0,0,0,0|0,0,2]=4 2091 B5R0.2 N\C=C\CC=O Amb24706738 [2,0,0,0,0,0|1,0,1]=4 2092 B5R0.2 O=CC#CC=O Amb25714016 [2,0,0,0,0,0|0,0,2]=4 2093 B5R0.2 O=CCCC=O Amb22231966 [2,0,0,0,0,0|0,0,0]=2 2094 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,1]=4 2095 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,1]=4 2096 B5R0.2 O=CCCSCl Amb25146622 [2,0,0,0,0,0|2,0,0]=4 2097 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,1,0]=4 2098 B5R0.2 O=CCOCC Amb24052108 [2,0,0,0,0,0|1,0,1]=4 2099 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 2100 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,2]=4 2101 B5R0.2 OCCCC=O Amb24589235 [2,0,0,0,0,0|0,0,1]=3 2102 B5R0.2 ON=CCC=O Amb25744688 [2,0,0,0,0,0|1,0,1]=4 2103 B5R0.2 O\N=C\CC=O Amb24640219 [2,0,0,0,0,0|1,0,1]=4 2104 B5R0.2 [C-]#[N+]CCC=O Amb24706723 [2,0,0,0,0,0|1,0,1]=4 2105 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [1,1,0,0,0,0|0,0,2]=4 2106 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [1,1,0,0,0,0|0,0,2]=4 2107 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [1,1,0,0,0,0|0,0,2]=4 2108 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [1,1,0,0,0,0|0,0,1]=3 2109 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [1,1,0,0,0,0|0,0,1]=3 2110 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [1,1,0,0,0,0|0,0,1]=3 2111 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [1,1,0,0,0,0|0,0,1]=3 2112 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [1,1,0,0,0,0|1,0,1]=4 2113 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [1,1,0,0,0,0|0,0,1]=3 2114 B7R0.2 C=CN(Br)CC(O)=O Amb24629979 [1,1,0,0,0,0|1,0,1]=4 2115 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [1,1,0,0,0,0|0,0,1]=3 2116 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [1,1,0,0,0,0|0,0,1]=3 2117 B7R0.2 CC(=C)CC(N)CO Amb24665584 [1,1,0,0,0,0|1,0,1]=4 2118 B7R0.2 CC(=C)CC(O)C=C Amb24062963 [1,1,0,0,0,0|2,0,0]=4 2119 B7R0.2 CC(=C)C[C@H](O)CO Amb25235652 [1,1,0,0,0,0|1,0,1]=4 2120 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [1,1,0,0,0,0|0,0,2]=4 2121 B7R0.2 CC(=O)CC(=O)NO Amb24096625 [1,1,0,0,0,0|1,0,1]=4 2122 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [1,1,0,0,0,0|0,0,1]=3 2123 B7R0.2 CC(=O)CC(Cl)CCl Amb25335495 [1,1,0,0,0,0|1,0,1]=4 2124 B7R0.2 CC(=O)CC(O)C#C Amb24690832 [1,1,0,0,0,0|1,0,1]=4 2125 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [1,1,0,0,0,0|1,0,0]=3 2126 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [1,1,0,0,0,0|0,0,0]=2 2127 B7R0.2 CC(=O)CC(O)CO Amb25304727 [1,1,0,0,0,0|0,0,1]=3 2128 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [1,1,0,0,0,0|0,0,0]=2 2129 B7R0.2 CC(=O)CN(C)C=O Amb25134136 [1,1,0,0,0,0|1,0,0]=3 2130 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [1,1,0,0,0,0|0,0,1]=3 2131 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [1,1,0,0,0,0|1,0,0]=3 2132 B7R0.2 CC(=O)C[C@H](O)CCl Amb25810138 [1,1,0,0,0,0|1,0,1]=4 2133 B7R0.2 CC(=O)C\C(\Cl)=C/C Amb24553550 [1,1,0,0,0,0|1,0,1]=4 2134 B7R0.2 CC(=O)C\C(\Cl)=C\C Amb25834378 [1,1,0,0,0,0|1,0,1]=4 2135 B7R0.2 CC(=O)C\C(\Cl)=C\Cl Amb24736103 [1,1,0,0,0,0|1,0,1]=4 2136 B7R0.2 CC(=O)OC(=C)C=O Amb25695435 [1,1,0,0,0,0|1,0,1]=4 2137 B7R0.2 CC(=O)OC(Cl)C=C Amb24373805 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.2 CC(=O)\C=C(\C)/C=O Amb18641689 [1,1,0,0,0,0|0,0,2]=4 2139 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.2 CC(C)CC(C)C=O Amb18641813 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.2 CC(C)CC(Cl)C=O Amb24482192 [1,1,0,0,0,0|1,0,1]=4 2142 B7R0.2 CC(C)C[C@@H](N)C=O Amb25698367 [1,1,0,0,0,0|1,0,1]=4 2143 B7R0.2 CC(C)C[C@@H](O)C=O Amb25104909 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.2 CC(C)C[C@H](Cl)C=O Amb24661911 [1,1,0,0,0,0|1,0,1]=4 2145 B7R0.2 CC(C=O)C=C(C)C Amb18641696 [1,1,0,0,0,0|1,0,1]=4 2146 B7R0.2 CC(C=O)NC(C)=O Amb18641830 [1,1,0,0,0,0|1,0,0]=3 2147 B7R0.2 CC(C=O)OC(C)=O Amb18641863 [1,1,0,0,0,0|1,0,0]=3 2148 B7R0.2 CC(CBr)CC(C)=O Amb24365894 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.2 CC(CC(=C)Br)C=O Amb24380828 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.2 CC(CC(=O)Cl)C=C Amb25278347 [1,1,0,0,0,0|1,0,1]=4 2151 B7R0.2 CC(CC(C)=C)C=O Amb18641711 [1,1,0,0,0,0|1,0,0]=3 2152 B7R0.2 CC(CC(C)=O)=CCl Amb25685302 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.2 CC(CC(C)=O)C#C Amb24738456 [1,1,0,0,0,0|1,0,1]=4 2154 B7R0.2 CC(CC(C)=O)C#N Amb18124227 [1,1,0,0,0,0|1,0,1]=4 2155 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [1,1,0,0,0,0|0,0,0]=2 2156 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [1,1,0,0,0,0|1,0,1]=4 2157 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [1,1,0,0,0,0|0,0,1]=3 2158 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [1,1,0,0,0,0|0,0,0]=2 2159 B7R0.2 CC(CC(O)=O)CO Amb18198168 [1,1,0,0,0,0|0,0,2]=4 2160 B7R0.2 CC(CC(O)=O)SCl Amb24483173 [1,1,0,0,0,0|2,0,0]=4 2161 B7R0.2 CC(CC)CC(=O)Cl Amb10844649 [1,1,0,0,0,0|1,0,1]=4 2162 B7R0.2 CC(CN)CC(C)=O Amb18251072 [1,1,0,0,0,0|1,0,1]=4 2163 B7R0.2 CC(CN)CC(O)=O Amb18124263 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.2 CC(CN)CC(O)=O Amb20669501 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.2 CC(CO)CC(C)=O Amb24606485 [1,1,0,0,0,0|0,0,1]=3 2166 B7R0.2 CC(CO)CC(N)=O Amb24452895 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.2 CC(CO)OC(C)=O Amb25144303 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.2 CC(NC)CC(=O)N Amb17231826 [1,1,0,0,0,0|2,0,0]=4 2169 B7R0.2 CCC(=C)CC(O)=O Amb18641782 [1,1,0,0,0,0|0,0,2]=4 2170 B7R0.2 CCC(=O)CC(O)=O Amb18641869 [1,1,0,0,0,0|0,0,2]=4 2171 B7R0.2 CCC(Br)CC(O)=O Amb24370499 [1,1,0,0,0,0|0,0,1]=3 2172 B7R0.2 CCC(C)CC(N)=O Amb25230669 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.2 CCC(CC(=O)C)C Amb10608208 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.2 CCC(CC(=O)O)N Amb1993862 [1,1,0,0,0,0|0,0,1]=3 2175 B7R0.2 CCC(CC(=O)O)O Amb10844270 [1,1,0,0,0,0|0,0,1]=3 2176 B7R0.2 CCC(Cl)CC(=O)Cl Amb24390220 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.2 CCC(N)CC(C)=O Amb18631696 [1,1,0,0,0,0|1,0,1]=4 2178 B7R0.2 CCC(N)CC(N)=O Amb25727686 [1,1,0,0,0,0|1,0,1]=4 2179 B7R0.2 CCC(O)CC(C)=O Amb25065181 [1,1,0,0,0,0|1,0,1]=4 2180 B7R0.2 CCC(O)CC(N)=O Amb24616660 [1,1,0,0,0,0|1,0,1]=4 2181 B7R0.2 CCC(O)CC(O)=O Amb22363067 [1,1,0,0,0,0|0,0,1]=3 2182 B7R0.2 CCC(S)CC(O)=O Amb18303084 [1,1,0,0,0,0|0,0,1]=3 2183 B7R0.2 CCN(N)CC(O)=O Amb25738005 [1,1,0,0,0,0|1,0,1]=4 2184 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [1,1,0,0,0,0|1,0,1]=4 2185 B7R0.2 CC[C@@H](Br)CC(O)=O Amb24467852 [1,1,0,0,0,0|0,0,1]=3 2186 B7R0.2 CC[C@@H](C)CC(=O)Cl Amb23425123 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.2 CC[C@@H](C)CC(N)=O Amb25310922 [1,1,0,0,0,0|1,0,1]=4 2188 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [1,1,0,0,0,0|0,0,1]=3 2189 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [1,1,0,0,0,0|1,0,1]=4 2190 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [1,1,0,0,0,0|0,0,1]=3 2191 B7R0.2 CC[C@H](C)CC(C)=O Amb24614519 [1,1,0,0,0,0|1,0,1]=4 2192 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [1,1,0,0,0,0|0,0,1]=3 2193 B7R0.2 CC[S+](C)CC(O)=O Amb24710040 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.2 CN(C)CC(O)C=O Amb25233179 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [1,1,0,0,0,0|1,0,0]=3 2196 B7R0.2 CNC(C)CC(N)=O Amb19960012 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.2 CNC(C)CC(O)=O Amb21959674 [1,1,0,0,0,0|1,0,0]=3 2198 B7R0.2 CN[C@@H](C)CC(O)=O Amb25255193 [1,1,0,0,0,0|1,0,0]=3 2199 B7R0.2 CN[C@H](C)CC(O)=O Amb25339129 [1,1,0,0,0,0|1,0,0]=3 2200 B7R0.2 COC(=O)CC(=O)O Amb16232032 [1,1,0,0,0,0|1,0,1]=4 2201 B7R0.2 CO[C@@H](C)CC(O)=O Amb24481367 [1,1,0,0,0,0|1,0,0]=3 2202 B7R0.2 CO[C@@H](O)CC(C)=O Amb24450127 [1,1,0,0,0,0|2,0,0]=4 2203 B7R0.2 CS(=O)C[C@H](N)CO Amb24436533 [1,1,0,0,0,0|1,0,1]=4 2204 B7R0.2 CSC(C)CC(C)=O Amb25714199 [1,1,0,0,0,0|2,0,0]=4 2205 B7R0.2 CSC(C)CC(O)=O Amb18967824 [1,1,0,0,0,0|1,0,0]=3 2206 B7R0.2 C[C@@H](C=C)NC(C)=O Amb25084335 [1,1,0,0,0,0|2,0,0]=4 2207 B7R0.2 C[C@@H](C=O)C=C(C)C Amb24333258 [1,1,0,0,0,0|1,0,1]=4 2208 B7R0.2 C[C@@H](C=O)OC(C)=O Amb24724866 [1,1,0,0,0,0|1,0,0]=3 2209 B7R0.2 C[C@@H](CC(=C)Br)C=O Amb25325003 [1,1,0,0,0,0|1,0,1]=4 2210 B7R0.2 C[C@@H](CC(C)=C)C=O Amb24375353 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.2 C[C@@H](CC(C)=O)C#C Amb25721483 [1,1,0,0,0,0|1,0,1]=4 2212 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [1,1,0,0,0,0|0,0,0]=2 2213 B7R0.2 C[C@@H](CC(O)=O)ON Amb25189045 [1,1,0,0,0,0|2,0,0]=4 2214 B7R0.2 C[C@@H](CO)CC(C)=C Amb25845281 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.2 C[C@@H](CO)CC(C)=O Amb25072788 [1,1,0,0,0,0|0,0,1]=3 2216 B7R0.2 C[C@@H](CO)OC(C)=O Amb25681753 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.2 C[C@H](C=O)C=C(C)C Amb25293775 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [1,1,0,0,0,0|0,0,1]=3 2219 B7R0.2 C[C@H](CO)NC(C)=O Amb24426644 [1,1,0,0,0,0|1,0,1]=4 2220 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [1,1,0,0,0,0|0,0,2]=4 2221 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [1,1,0,0,0,0|0,0,2]=4 2222 B7R0.2 C\C(\CC(C)=O)=N\O Amb24457353 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.2 C\C(\CC(N)=O)=C\C Amb25055448 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [1,1,0,0,0,0|0,0,1]=3 2225 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [1,1,0,0,0,0|0,0,1]=3 2226 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [1,1,0,0,0,0|1,0,0]=3 2228 B7R0.2 NC(CF)CC(O)=O Amb24428065 [1,1,0,0,0,0|1,0,1]=4 2229 B7R0.2 NC(CO)CC(N)=O Amb24384089 [1,1,0,0,0,0|1,0,1]=4 2230 B7R0.2 NC(CS)CC(O)=O Amb25090412 [1,1,0,0,0,0|0,1,1]=4 2231 B7R0.2 NCC(F)CC(O)=O Amb24550169 [1,1,0,0,0,0|1,0,1]=4 2232 B7R0.2 NCC(N)CC(O)=O Amb19515145 [1,1,0,0,0,0|1,0,1]=4 2233 B7R0.2 NCC(N)CC(O)=O Amb21858324 [1,1,0,0,0,0|1,0,1]=4 2234 B7R0.2 NCC(N)CC(O)=O Amb22751661 [1,1,0,0,0,0|1,0,1]=4 2235 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [1,1,0,0,0,0|1,0,1]=4 2236 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [1,1,0,0,0,0|1,0,1]=4 2239 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [1,1,0,0,0,0|1,0,0]=3 2240 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [1,1,0,0,0,0|1,0,1]=4 2241 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [1,1,0,0,0,0|0,0,1]=3 2242 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [1,1,0,0,0,0|1,0,1]=4 2243 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [1,1,0,0,0,0|0,0,0]=2 2244 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [1,1,0,0,0,0|0,0,2]=4 2245 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [1,1,0,0,0,0|1,0,1]=4 2246 B7R0.2 O=NN(CC(=O)O)C Amb17618622 [1,1,0,0,0,0|2,0,0]=4 2247 B7R0.2 OC(=O)CC(Br)CCl Amb25834578 [1,1,0,0,0,0|1,0,1]=4 2248 B7R0.2 OC(=O)CC(Cl)CCl Amb25335414 [1,1,0,0,0,0|1,0,1]=4 2249 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [1,1,0,0,0,0|0,0,0]=2 2250 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [1,1,0,0,0,0|1,0,0]=3 2251 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [1,1,0,0,0,0|2,0,0]=4 2252 B7R0.2 OC(=O)\C=C(/Cl)\C=O Amb24452824 [1,1,0,0,0,0|0,0,2]=4 2253 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [1,1,0,0,0,0|1,0,1]=4 2254 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [1,1,0,0,0,0|0,0,2]=4 2255 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [1,1,0,0,0,0|0,0,2]=4 2256 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [1,1,0,0,0,0|1,0,1]=4 2257 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [1,1,0,0,0,0|0,0,1]=3 2258 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [1,1,0,0,0,0|1,0,1]=4 2259 B7R0.3 BrCC(=O)NCC=C Amb2089072 [1,1,0,0,0,0|2,0,0]=4 2260 B7R0.3 C#CCCC(=O)CBr Amb25362236 [1,1,0,0,0,0|1,0,1]=4 2261 B7R0.3 C#CCCC(=O)CN Amb25678834 [1,1,0,0,0,0|1,0,1]=4 2262 B7R0.3 C=CC(=C)CCC=O Amb18123988 [1,1,0,0,0,0|1,0,1]=4 2263 B7R0.3 C=CC(=O)CCCO Amb25284731 [1,1,0,0,0,0|0,0,2]=4 2264 B7R0.3 C=CC(O)CCC=O Amb24573986 [1,1,0,0,0,0|1,0,1]=4 2265 B7R0.3 C=CCCC(=C)C=O Amb25800063 [1,1,0,0,0,0|1,0,1]=4 2266 B7R0.3 C=CCCC(=C)CO Amb25849790 [1,1,0,0,0,0|1,0,1]=4 2267 B7R0.3 C=CCCC(=O)C=C Amb24524288 [1,1,0,0,0,0|1,0,1]=4 2268 B7R0.3 C=CCCC(=O)CBr Amb22059627 [1,1,0,0,0,0|1,0,0]=3 2269 B7R0.3 C=CCCC(=O)CCl Amb22059504 [1,1,0,0,0,0|1,0,0]=3 2270 B7R0.3 C=CCCC(=O)CN Amb24411061 [1,1,0,0,0,0|1,0,0]=3 2271 B7R0.3 C=CCCC(=O)CO Amb25763185 [1,1,0,0,0,0|0,0,1]=3 2272 B7R0.3 C=CCNC(=O)CN Amb21958702 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.3 C=CCOC(=O)CBr Amb24634325 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.3 C=CCOC(=O)CN Amb18641828 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.3 C=CCOC(=O)CO Amb24475151 [1,1,0,0,0,0|1,0,1]=4 2276 B7R0.3 C=CCOC(=O)NO Amb24457536 [1,1,0,0,0,0|1,0,1]=4 2277 B7R0.3 CC(=CCCO)C=O Amb25366501 [1,1,0,0,0,0|0,0,2]=4 2278 B7R0.3 CC(CCC=C)C=O Amb25100921 [1,1,0,0,0,0|1,0,1]=4 2279 B7R0.3 CC(CCC=O)=C=C Amb24481520 [1,1,0,0,0,0|1,0,0]=3 2280 B7R0.3 CC(CCC=O)C#N Amb18641636 [1,1,0,0,0,0|1,0,1]=4 2281 B7R0.3 CC(CCC=O)C=C Amb18641704 [1,1,0,0,0,0|1,0,1]=4 2282 B7R0.3 CC(CCCO)=CBr Amb24355350 [1,1,0,0,0,0|1,0,1]=4 2283 B7R0.3 CC(CCCO)=CCl Amb25073713 [1,1,0,0,0,0|1,0,1]=4 2284 B7R0.3 CC(CCCO)C=O Amb24690170 [1,1,0,0,0,0|0,0,2]=4 2285 B7R0.3 CC(CO)CCC=O Amb25693017 [1,1,0,0,0,0|0,0,2]=4 2286 B7R0.3 CCC(=C)CNC=O Amb25299418 [1,1,0,0,0,0|2,0,0]=4 2287 B7R0.3 CCC(=O)CCC#N Amb25321503 [1,1,0,0,0,0|1,0,1]=4 2288 B7R0.3 CCC(=O)CCC=O Amb18641783 [1,1,0,0,0,0|0,0,0]=2 2289 B7R0.3 CCC(=O)CCCBr Amb25765636 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.3 CCC(=O)CCCF Amb25101437 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.3 CCC(=O)CCCN Amb18833012 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.3 CCC(=O)CCCO Amb24629709 [1,1,0,0,0,0|0,0,1]=3 2293 B7R0.3 CCC(=O)CCSC Amb25680024 [1,1,0,0,0,0|2,0,0]=4 2294 B7R0.3 CCC(=O)CNC=O Amb23442770 [1,1,0,0,0,0|1,0,0]=3 2295 B7R0.3 CCC(=O)C\C=C/Cl Amb25810351 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.3 CCC(=O)NCC=O Amb17102054 [1,1,0,0,0,0|1,0,0]=3 2297 B7R0.3 CCC(=O)OCC=C Amb22050537 [1,1,0,0,0,0|2,0,0]=4 2298 B7R0.3 CCC(=O)OCC=O Amb25779377 [1,1,0,0,0,0|1,0,0]=3 2299 B7R0.3 CCC(=O)SCC=C Amb22043318 [1,1,0,0,0,0|2,0,0]=4 2300 B7R0.3 CCC(=O)\C=C/C=O Amb25770041 [1,1,0,0,0,0|0,0,2]=4 2301 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|0,0,2]=4 2302 B7R0.3 CCC(C)CCC=O Amb25125664 [1,1,0,0,0,0|1,0,1]=4 2303 B7R0.3 CCCCC(=C)CO Amb25079813 [1,1,0,0,0,0|1,0,1]=4 2304 B7R0.3 CCCCC(=N)OC Amb17617956 [1,1,0,0,0,0|1,0,1]=4 2305 B7R0.3 CCCCC(=N)OC Amb25353357 [1,1,0,0,0,0|1,0,1]=4 2306 B7R0.3 CCCCC(=O)C#N Amb22729179 [1,1,0,0,0,0|1,0,1]=4 2307 B7R0.3 CCCCC(=O)C=C Amb25062494 [1,1,0,0,0,0|1,0,1]=4 2308 B7R0.3 CCCCC(=O)C=O Amb18124252 [1,1,0,0,0,0|0,0,2]=4 2309 B7R0.3 CCCCC(=O)CBr Amb24563421 [1,1,0,0,0,0|1,0,1]=4 2310 B7R0.3 CCCCC(=O)CCl Amb17593420 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.3 CCCCC(=O)CF Amb24483296 [1,1,0,0,0,0|1,0,1]=4 2312 B7R0.3 CCCCC(=O)CN Amb24473062 [1,1,0,0,0,0|1,0,1]=4 2313 B7R0.3 CCCCC(=O)SC Amb25225724 [1,1,0,0,0,0|0,1,1]=4 2314 B7R0.3 CCCCC(C)=NO Amb19515982 [1,1,0,0,0,0|1,0,1]=4 2315 B7R0.3 CCCC[14C](=O)O[Na] Amb22734535 [1,1,0,0,0,0|0,0,1]=3 2316 B7R0.3 CCCC[C@@H](O)C=O Amb24481527 [1,1,0,0,0,0|0,0,2]=4 2317 B7R0.3 CCCC\C(\C)=N\O Amb21520448 [1,1,0,0,0,0|1,0,1]=4 2318 B7R0.3 CCCNC(=O)OC Amb17797997 [1,1,0,0,0,0|1,0,1]=4 2319 B7R0.3 CCCOC(=O)NO Amb24630559 [1,1,0,0,0,0|1,0,1]=4 2320 B7R0.3 CCNCC(=O)OC Amb19514718 [1,1,0,0,0,0|1,0,1]=4 2321 B7R0.3 CCS(=O)CCCO Amb25226262 [1,1,0,0,0,0|1,0,1]=4 2322 B7R0.3 CCSCC(=O)CO Amb25686953 [1,1,0,0,0,0|1,0,1]=4 2323 B7R0.3 CC[C@H](C)CCC=O Amb25102725 [1,1,0,0,0,0|1,0,1]=4 2324 B7R0.3 CC\C(\C)=C/CC=O Amb24657093 [1,1,0,0,0,0|1,0,1]=4 2325 B7R0.3 CN(C=O)CCCO Amb17593211 [1,1,0,0,0,0|1,0,1]=4 2326 B7R0.3 CNC(=O)CCC#C Amb18636143 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.3 CNC(=O)CCC#N Amb17334052 [1,1,0,0,0,0|1,0,1]=4 2328 B7R0.3 CNC(=O)CCC=C Amb25041195 [1,1,0,0,0,0|1,0,0]=3 2329 B7R0.3 CNC(=O)CCCBr Amb24552452 [1,1,0,0,0,0|1,0,1]=4 2330 B7R0.3 CNC(=O)CCCCl Amb1137464 [1,1,0,0,0,0|1,0,1]=4 2331 B7R0.3 CNC(=O)CCCO Amb17231829 [1,1,0,0,0,0|0,0,1]=3 2332 B7R0.3 CNC(=O)CCN=C Amb24713898 [1,1,0,0,0,0|2,0,0]=4 2333 B7R0.3 CNC(=O)CCON Amb25744608 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.3 CNC(=O)CN=C=O Amb25340772 [1,1,0,0,0,0|1,0,1]=4 2335 B7R0.3 CNC(=O)CNC=O Amb25789179 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.3 CNC(=O)NCC=C Amb25067787 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.3 CNC(=O)NCCO Amb24376074 [1,1,0,0,0,0|1,0,1]=4 2338 B7R0.3 CNC(=O)SCC=C Amb24334058 [1,1,0,0,0,0|2,0,0]=4 2339 B7R0.3 CNC(=S)CCC=C Amb24481333 [1,1,0,0,0,0|1,1,0]=4 2340 B7R0.3 CNCCC(=O)C#C Amb24528728 [1,1,0,0,0,0|2,0,0]=4 2341 B7R0.3 CNCCC(=O)NC Amb19959924 [1,1,0,0,0,0|2,0,0]=4 2342 B7R0.3 CNCCC(=O)OC Amb22168213 [1,1,0,0,0,0|1,0,0]=3 2343 B7R0.3 CNCC\C(\N)=N/O Amb19981296 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.3 CNCC\C(\N)=N\O Amb22410480 [1,1,0,0,0,0|2,0,0]=4 2345 B7R0.3 COC(=C)CCC=O Amb18641791 [1,1,0,0,0,0|1,0,0]=3 2346 B7R0.3 COC(=O)CCC#C Amb18115985 [1,1,0,0,0,0|0,0,2]=4 2347 B7R0.3 COC(=O)CCC=C Amb2369959 [1,1,0,0,0,0|0,0,1]=3 2348 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,0]=2 2349 B7R0.3 COC(=O)CCCS Amb19373761 [1,1,0,0,0,0|0,1,1]=4 2350 B7R0.3 COC(=O)CCNN Amb24524272 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.3 COC(=O)CCNO Amb24644523 [1,1,0,0,0,0|1,0,0]=3 2352 B7R0.3 COC(=O)CCON Amb18641968 [1,1,0,0,0,0|2,0,0]=4 2353 B7R0.3 COC(=O)CC[Zn]Br Amb22898090 [1,1,0,0,0,0|2,0,0]=4 2354 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,0]=3 2355 B7R0.3 COC(=O)CNCO Amb25369412 [1,1,0,0,0,0|1,0,1]=4 2356 B7R0.3 COC(=O)CNOC Amb25725740 [1,1,0,0,0,0|2,0,0]=4 2357 B7R0.3 COC(=O)C\C=C\I Amb24531368 [1,1,0,0,0,0|1,0,1]=4 2358 B7R0.3 COC(=O)NCC=C Amb17794125 [1,1,0,0,0,0|1,0,1]=4 2359 B7R0.3 COC(=O)\C=C/C=O Amb24483047 [1,1,0,0,0,0|0,0,2]=4 2360 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,2]=4 2361 B7R0.3 COCCC(=N)OC Amb24334438 [1,1,0,0,0,0|2,0,0]=4 2362 B7R0.3 COCCC(=O)C#N Amb24645428 [1,1,0,0,0,0|2,0,0]=4 2363 B7R0.3 COCCC(=O)C=C Amb24744935 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.3 COCCC(=O)C=O Amb24722152 [1,1,0,0,0,0|1,0,1]=4 2365 B7R0.3 COCCC(=O)CBr Amb25708389 [1,1,0,0,0,0|2,0,0]=4 2366 B7R0.3 COCCC(=O)CCl Amb20622320 [1,1,0,0,0,0|2,0,0]=4 2367 B7R0.3 COCCC(=O)CO Amb25049164 [1,1,0,0,0,0|1,0,0]=3 2368 B7R0.3 COCCC(=O)CS Amb24646143 [1,1,0,0,0,0|1,1,0]=4 2369 B7R0.3 COCC\C(\N)=N/O Amb19890177 [1,1,0,0,0,0|2,0,0]=4 2370 B7R0.3 COCC\C(\N)=N\O Amb22490466 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.3 CO\C(\C)=C\CC=O Amb25365197 [1,1,0,0,0,0|0,0,2]=4 2372 B7R0.3 CSC(=O)NCC=C Amb24531747 [1,1,0,0,0,0|2,0,0]=4 2373 B7R0.3 CSC(=O)NCCO Amb24460774 [1,1,0,0,0,0|1,0,1]=4 2374 B7R0.3 CSC(=O)\C=C/C=O Amb25857347 [1,1,0,0,0,0|0,0,2]=4 2375 B7R0.3 CSC(=O)\C=C\C=O Amb24680317 [1,1,0,0,0,0|0,0,2]=4 2376 B7R0.3 CSCCC(=O)C#C Amb24402673 [1,1,0,0,0,0|2,0,0]=4 2377 B7R0.3 CSCCC(=O)C#N Amb25730124 [1,1,0,0,0,0|2,0,0]=4 2378 B7R0.3 CSCCC(=O)C=C Amb25334636 [1,1,0,0,0,0|2,0,0]=4 2379 B7R0.3 CSCCC(=O)NO Amb25756883 [1,1,0,0,0,0|1,0,0]=3 2380 B7R0.3 CSCCC(N)=NO Amb25127504 [1,1,0,0,0,0|2,0,0]=4 2381 B7R0.3 CSCCC(O)C=O Amb25107714 [1,1,0,0,0,0|1,0,1]=4 2382 B7R0.3 CSCC[C@@H](O)C=O Amb24481522 [1,1,0,0,0,0|1,0,1]=4 2383 B7R0.3 C[C@@H](CCC=O)C=C Amb25025116 [1,1,0,0,0,0|1,0,1]=4 2384 B7R0.3 C[C@@H](CO)CCC=O Amb24602985 [1,1,0,0,0,0|0,0,2]=4 2385 B7R0.3 C[C@H](CCC=C)C=O Amb25790613 [1,1,0,0,0,0|1,0,1]=4 2386 B7R0.3 C[C@H](CCC=O)C=C Amb25810817 [1,1,0,0,0,0|1,0,1]=4 2387 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [1,1,0,0,0,0|0,0,1]=3 2388 B7R0.3 C\C(\C=C)=C\CC=O Amb18641621 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.3 C\C(\C=O)=C/CC=C Amb18123725 [1,1,0,0,0,0|1,0,1]=4 2390 B7R0.3 C\C=C(/C)\CCC=O Amb18641710 [1,1,0,0,0,0|1,0,0]=3 2391 B7R0.3 C\C=C(\C)/CCC=O Amb24425599 [1,1,0,0,0,0|1,0,0]=3 2392 B7R0.3 C\C=C(\C)/CCCO Amb25080181 [1,1,0,0,0,0|1,0,1]=4 2393 B7R0.3 C\C=C(\Cl)/CCCO Amb25344045 [1,1,0,0,0,0|1,0,1]=4 2394 B7R0.3 C\C=C/CC(=C)C=O Amb25785570 [1,1,0,0,0,0|1,0,1]=4 2395 B7R0.3 C\C=C/CC(=O)CC Amb25357896 [1,1,0,0,0,0|1,0,1]=4 2396 B7R0.3 C\C=C\CC(=C)CO Amb25256052 [1,1,0,0,0,0|1,0,1]=4 2397 B7R0.3 C\C=C\CC(=O)CC Amb24590969 [1,1,0,0,0,0|1,0,1]=4 2398 B7R0.3 C\C=C\CC(=O)CCl Amb24349552 [1,1,0,0,0,0|1,0,1]=4 2399 B7R0.3 C\C=C\CC(=O)NC Amb25026166 [1,1,0,0,0,0|1,0,1]=4 2400 B7R0.3 C\C=C\CC(=O)NN Amb25264800 [1,1,0,0,0,0|1,0,1]=4 2401 B7R0.3 ClCC(=O)NCC=C Amb1151297 [1,1,0,0,0,0|2,0,0]=4 2402 B7R0.3 ClCCCC(=O)CC Amb17593423 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.3 NC(CNC=O)=NO Amb24481467 [1,1,0,0,0,0|2,0,0]=4 2404 B7R0.3 NCC(=O)CCCO Amb24471240 [1,1,0,0,0,0|0,0,1]=3 2405 B7R0.3 NCC(=O)NCCO Amb21958723 [1,1,0,0,0,0|1,0,1]=4 2406 B7R0.3 NNC(=O)CCNO Amb25128022 [1,1,0,0,0,0|2,0,0]=4 2407 B7R0.3 O=C(CCCCl)CCl Amb22395285 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.3 O=C(CCl)CCCBr Amb22395325 [1,1,0,0,0,0|1,0,1]=4 2409 B7R0.3 O=CC(Cl)=CCC=O Amb24745897 [1,1,0,0,0,0|1,0,1]=4 2410 B7R0.3 O=CCCC(=O)C=O Amb25024665 [1,1,0,0,0,0|0,0,1]=3 2411 B7R0.3 O=CCCN(N=O)C Amb17617679 [1,1,0,0,0,0|1,0,0]=3 2412 B7R0.3 OC(CBr)CCC=O Amb24559224 [1,1,0,0,0,0|0,0,2]=4 2413 B7R0.3 OCC(=O)CCCCl Amb24481374 [1,1,0,0,0,0|1,0,1]=4 2414 B7R0.3 OCC(=O)\C=C/C=O Amb18641763 [1,1,0,0,0,0|0,0,2]=4 2415 B7R0.3 OCC(=O)\C=C\C=O Amb24574003 [1,1,0,0,0,0|0,0,2]=4 2416 B7R0.3 OCC(O)CCC=O Amb24669095 [1,1,0,0,0,0|0,0,2]=4 2417 B7R0.3 OCCNC(=O)CBr Amb17325573 [1,1,0,0,0,0|1,0,1]=4 2418 B7R0.3 OCCOC(=O)CCl Amb25173827 [1,1,0,0,0,0|1,0,1]=4 2419 B7R0.3 OC[C@@H](O)CCC=O Amb24482301 [1,1,0,0,0,0|0,0,2]=4 2420 B7R0.3 OC[C@H](O)CCC=O Amb25123219 [1,1,0,0,0,0|0,0,2]=4 2421 B7R0.3 O[C@@H](CBr)CCC=O Amb24390114 [1,1,0,0,0,0|0,0,2]=4 2422 B7R0.4 BrCCCCC(=O)C Amb16234126 [1,1,0,0,0,0|1,0,1]=4 2423 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|0,0,2]=4 2424 B7R0.4 C#C\C=C\CC(O)=O Amb24409578 [1,1,0,0,0,0|0,0,2]=4 2425 B7R0.4 C=C(Br)CCCC=O Amb24390485 [1,1,0,0,0,0|1,0,1]=4 2426 B7R0.4 C=CCCCC(=O)C Amb17593171 [1,1,0,0,0,0|1,0,0]=3 2427 B7R0.4 C=CCCCC(N)=O Amb24579642 [1,1,0,0,0,0|1,0,1]=4 2428 B7R0.4 C=CCCNC(N)=O Amb25789999 [1,1,0,0,0,0|1,0,1]=4 2429 B7R0.4 C=CCCNC(O)=S Amb25083092 [1,1,0,0,0,0|0,1,1]=4 2430 B7R0.4 C=CCNCC(=C)C Amb17308750 [1,1,0,0,0,0|2,0,0]=4 2431 B7R0.4 C=CCSCC(=O)O Amb1110888 [1,1,0,0,0,0|0,0,1]=3 2432 B7R0.4 C=CCSCC(N)=O Amb19129905 [1,1,0,0,0,0|1,0,1]=4 2433 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [1,1,0,0,0,0|0,0,2]=4 2434 B7R0.4 CC#CCCC(C)=O Amb24471185 [1,1,0,0,0,0|1,0,1]=4 2435 B7R0.4 CC(=C)C#CCC=O Amb24482170 [1,1,0,0,0,0|1,0,1]=4 2436 B7R0.4 CC(=C)CCCC=C Amb25787099 [1,1,0,0,0,0|2,0,0]=4 2437 B7R0.4 CC(=C)CCCC=O Amb18641705 [1,1,0,0,0,0|1,0,0]=3 2438 B7R0.4 CC(=C)CNCCO Amb24591963 [1,1,0,0,0,0|1,0,1]=4 2439 B7R0.4 CC(=C)C\C=C\C=O Amb18640955 [1,1,0,0,0,0|1,0,1]=4 2440 B7R0.4 CC(=C)OCCCO Amb24581723 [1,1,0,0,0,0|1,0,1]=4 2441 B7R0.4 CC(=O)CCCC#C Amb18115312 [1,1,0,0,0,0|1,0,1]=4 2442 B7R0.4 CC(=O)CCCC=O Amb18641775 [1,1,0,0,0,0|0,0,0]=2 2443 B7R0.4 CC(=O)CCN=C=O Amb24481500 [1,1,0,0,0,0|0,0,1]=3 2444 B7R0.4 CC(=O)CCN=[N+]=[N-] Amb18522048 [1,1,0,0,0,0|2,0,0]=4 2445 B7R0.4 CC(=O)CCNC=O Amb25075578 [1,1,0,0,0,0|0,0,0]=2 2446 B7R0.4 CC(=O)CCOC=O Amb24408302 [1,1,0,0,0,0|0,0,0]=2 2447 B7R0.4 CC(=O)CC\C=C/Br Amb25758398 [1,1,0,0,0,0|1,0,0]=3 2448 B7R0.4 CC(=O)CC\C=C\Br Amb25336747 [1,1,0,0,0,0|1,0,0]=3 2449 B7R0.4 CC(=O)CNCC#C Amb24528702 [1,1,0,0,0,0|1,0,1]=4 2450 B7R0.4 CC(=O)CNCCO Amb18108527 [1,1,0,0,0,0|0,0,1]=3 2451 B7R0.4 CC(=O)CNCCS Amb25328157 [1,1,0,0,0,0|0,1,1]=4 2452 B7R0.4 CC(=O)COCC=O Amb18641868 [1,1,0,0,0,0|0,0,0]=2 2453 B7R0.4 CC(=O)COCCCl Amb25346574 [1,1,0,0,0,0|1,0,1]=4 2454 B7R0.4 CC(=O)COCCN Amb18630459 [1,1,0,0,0,0|1,0,1]=4 2455 B7R0.4 CC(=O)CSCC#C Amb25333140 [1,1,0,0,0,0|1,0,1]=4 2456 B7R0.4 CC(=O)CSCC=C Amb25767863 [1,1,0,0,0,0|1,0,0]=3 2457 B7R0.4 CC(=O)CSCCCl Amb25110707 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.4 CC(=O)CSCCF Amb24621173 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.4 CC(=O)C\C=C\C=C Amb24711717 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.4 CC(=O)C\C=C\CO Amb24583096 [1,1,0,0,0,0|0,0,1]=3 2461 B7R0.4 CC(=O)NCCC#C Amb21942373 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.4 CC(=O)NCCCF Amb25048794 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.4 CC(=O)NCCCI Amb24733809 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.4 CC(=O)NCCCN Amb10610286 [1,1,0,0,0,0|1,0,1]=4 2465 B7R0.4 CC(=O)NCCNN Amb24117179 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.4 CC(=O)NCCNN Amb25076762 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.4 CC(=O)NCCON Amb17138368 [1,1,0,0,0,0|1,0,1]=4 2468 B7R0.4 CC(=O)NCCSCl Amb24482235 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.4 CC(=O)NCNC=O Amb24568316 [1,1,0,0,0,0|1,0,0]=3 2470 B7R0.4 CC(=O)NOCC=C Amb25189056 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.4 CC(=O)N\C=C\C=O Amb18124245 [1,1,0,0,0,0|0,0,2]=4 2472 B7R0.4 CC(=O)OCCC#N Amb18641722 [1,1,0,0,0,0|1,0,1]=4 2473 B7R0.4 CC(=O)OCCC=O Amb18641862 [1,1,0,0,0,0|0,0,0]=2 2474 B7R0.4 CC(=O)OCCCF Amb22008199 [1,1,0,0,0,0|1,0,1]=4 2475 B7R0.4 CC(=O)OCCCI Amb24532815 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.4 CC(=O)OCCCN Amb18641920 [1,1,0,0,0,0|1,0,1]=4 2477 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|0,0,1]=3 2478 B7R0.4 CC(=O)OC\C=C\Cl Amb25144667 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.4 CC(=O)O\C=C\C=O Amb25237598 [1,1,0,0,0,0|0,0,2]=4 2480 B7R0.4 CC(=O)SCCC#N Amb22351951 [1,1,0,0,0,0|1,0,1]=4 2481 B7R0.4 CC(=O)SCCC=C Amb24117956 [1,1,0,0,0,0|1,0,0]=3 2482 B7R0.4 CC(=O)SCCC=O Amb25101351 [1,1,0,0,0,0|0,0,0]=2 2483 B7R0.4 CC(=O)SCCCBr Amb17610077 [1,1,0,0,0,0|1,0,1]=4 2484 B7R0.4 CC(=O)SCCCF Amb25240055 [1,1,0,0,0,0|1,0,1]=4 2485 B7R0.4 CC(=O)SCCCN Amb25368304 [1,1,0,0,0,0|1,0,1]=4 2486 B7R0.4 CC(=O)SCNC=O Amb25378456 [1,1,0,0,0,0|1,0,0]=3 2487 B7R0.4 CC(=O)SC\C=C\Cl Amb24483090 [1,1,0,0,0,0|1,0,1]=4 2488 B7R0.4 CC(=O)SC\C=C\O Amb24371969 [1,1,0,0,0,0|0,0,1]=3 2489 B7R0.4 CC(=O)S\C=C\C=O Amb24668965 [1,1,0,0,0,0|0,0,2]=4 2490 B7R0.4 CC(=O)S\C=C\CO Amb25098660 [1,1,0,0,0,0|1,0,1]=4 2491 B7R0.4 CC(Br)CCOC=O Amb25109882 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.4 CC(C)=C=CCC=O Amb24444474 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.4 CC(C)=CCCC=C Amb25789441 [1,1,0,0,0,0|2,0,0]=4 2494 B7R0.4 CC(C)CCC=NO Amb24531460 [1,1,0,0,0,0|1,0,1]=4 2495 B7R0.4 CC(C)CCCC=O Amb17940235 [1,1,0,0,0,0|1,0,1]=4 2496 B7R0.4 CC(O)CCCC=O Amb18641887 [1,1,0,0,0,0|0,0,2]=4 2497 B7R0.4 CC(O)CCNC=O Amb24533830 [1,1,0,0,0,0|0,0,2]=4 2498 B7R0.4 CC=C=CCC(C)=O Amb24100849 [1,1,0,0,0,0|1,0,1]=4 2499 B7R0.4 CC=C=CCC(O)=O Amb25118481 [1,1,0,0,0,0|0,0,1]=3 2500 B7R0.4 CC=CCCC(C)=C Amb22228882 [1,1,0,0,0,0|2,0,0]=4 2501 B7R0.4 CCCCCC([O-])=O Amb22337624 [1,1,0,0,0,0|0,0,2]=4 2502 B7R0.4 CCCCCC([O-])=O Amb22525161 [1,1,0,0,0,0|0,0,2]=4 2503 B7R0.4 CCCCCC([O-])=O Amb22730527 [1,1,0,0,0,0|0,0,2]=4 2504 B7R0.4 CCCCCC([O-])=O Amb22731343 [1,1,0,0,0,0|0,0,2]=4 2505 B7R0.4 CCCCC[13C](O)=O Amb22353417 [1,1,0,0,0,0|0,0,1]=3 2506 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,1,0,0,0,0|1,0,1]=4 2507 B7R0.4 CCCCOC(=O)F Amb24710483 [1,1,0,0,0,0|1,0,1]=4 2508 B7R0.4 CCCCSC(=O)C Amb10552685 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.4 CCCCSC(N)=O Amb24533653 [1,1,0,0,0,0|1,0,1]=4 2511 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [1,1,0,0,0,0|0,0,1]=3 2512 B7R0.4 CCCNCC(=O)N Amb1124632 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|0,0,1]=3 2514 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|0,0,1]=3 2515 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|0,0,1]=3 2516 B7R0.4 CCNCCC(C)=O Amb18641851 [1,1,0,0,0,0|1,0,1]=4 2517 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,1,0,0,0,0|1,0,1]=4 2518 B7R0.4 CCSSCC(O)=O Amb25233433 [1,1,0,0,0,0|1,0,1]=4 2519 B7R0.4 CC\C=C\CC(N)=O Amb24595892 [1,1,0,0,0,0|1,0,1]=4 2520 B7R0.4 CN(C)CCCC=O Amb22753951 [1,1,0,0,0,0|2,0,0]=4 2521 B7R0.4 CN(C)CCCC=O Amb24117840 [1,1,0,0,0,0|2,0,0]=4 2522 B7R0.4 CN(C)CCNC=O Amb21858796 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|0,0,1]=3 2524 B7R0.4 CNCCCC(N)=O Amb18303611 [1,1,0,0,0,0|1,0,1]=4 2525 B7R0.4 CNCCCS(O)=O Amb24656214 [1,1,0,0,0,0|1,0,1]=4 2526 B7R0.4 CNCCNC(N)=O Amb18299975 [1,1,0,0,0,0|2,0,0]=4 2527 B7R0.4 CNCCOC(C)=O Amb18124262 [1,1,0,0,0,0|2,0,0]=4 2528 B7R0.4 CNCCOC(N)=O Amb25136928 [1,1,0,0,0,0|2,0,0]=4 2529 B7R0.4 CNC\C=C\C(O)=O Amb25368293 [1,1,0,0,0,0|1,0,1]=4 2530 B7R0.4 COCCCC(=O)Cl Amb24481572 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.4 COCCCC(N)=O Amb24670109 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.4 COCCNC(=O)N Amb1104938 [1,1,0,0,0,0|2,0,0]=4 2533 B7R0.4 COCCOC(N)=O Amb25054225 [1,1,0,0,0,0|2,0,0]=4 2534 B7R0.4 COCSCC(C)=O Amb24717297 [1,1,0,0,0,0|1,0,1]=4 2535 B7R0.4 COC\C=C\C(O)=O Amb18296423 [1,1,0,0,0,0|1,0,1]=4 2536 B7R0.4 CONCCC(C)=C Amb24543965 [1,1,0,0,0,0|2,0,0]=4 2537 B7R0.4 CONCCC(C)=O Amb25342369 [1,1,0,0,0,0|1,0,0]=3 2538 B7R0.4 CONCCC(N)=O Amb24481431 [1,1,0,0,0,0|2,0,0]=4 2539 B7R0.4 CONCCC(O)=O Amb24441275 [1,1,0,0,0,0|1,0,0]=3 2540 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [1,1,0,0,0,0|0,0,1]=3 2541 B7R0.4 CS(=O)CCNC=O Amb24350245 [1,1,0,0,0,0|1,0,0]=3 2542 B7R0.4 CS(=O)NCCCO Amb25233860 [1,1,0,0,0,0|1,0,1]=4 2543 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,0,1]=3 2544 B7R0.4 CSCCCC(C)=O Amb25122381 [1,1,0,0,0,0|0,1,1]=4 2545 B7R0.4 CSCCCC(N)=O Amb19129736 [1,1,0,0,0,0|1,0,1]=4 2546 B7R0.4 CSCCOC(=O)Cl Amb25857013 [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.4 CSC\C=C\C(O)=O Amb18291627 [1,1,0,0,0,0|1,0,1]=4 2548 B7R0.4 CS\C=C/CC(C)=O Amb25064716 [1,1,0,0,0,0|0,1,1]=4 2549 B7R0.4 CS\C=C\CC(C)=O Amb24690833 [1,1,0,0,0,0|0,1,1]=4 2550 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [1,1,0,0,0,0|0,0,2]=4 2551 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [1,1,0,0,0,0|0,0,1]=3 2552 B7R0.4 C\C(\F)=C\CCC=O Amb25290222 [1,1,0,0,0,0|1,0,0]=3 2553 B7R0.4 C\C=C/CCC(C)=O Amb24333832 [1,1,0,0,0,0|1,0,0]=3 2554 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [1,1,0,0,0,0|0,0,2]=4 2555 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [1,1,0,0,0,0|0,0,2]=4 2556 B7R0.4 C\C=C\CCC(=O)Cl Amb25246754 [1,1,0,0,0,0|1,0,0]=3 2557 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [1,1,0,0,0,0|0,0,0]=2 2558 B7R0.4 C\C=C\CCC(C)=C Amb25746764 [1,1,0,0,0,0|2,0,0]=4 2559 B7R0.4 C\C=C\CCC(N)=O Amb25343167 [1,1,0,0,0,0|1,0,0]=3 2560 B7R0.4 C\C=C\CNC(C)=O Amb24370252 [1,1,0,0,0,0|1,0,1]=4 2561 B7R0.4 C\C=C\OCC(C)=O Amb24481479 [1,1,0,0,0,0|1,0,1]=4 2562 B7R0.4 ClC(=O)OCCC=C Amb10844792 [1,1,0,0,0,0|1,0,1]=4 2563 B7R0.4 N#CCCCC(=O)C Amb17106756 [1,1,0,0,0,0|1,0,1]=4 2564 B7R0.4 N#CCCCC(O)=O Amb18560874 [1,1,0,0,0,0|0,0,2]=4 2565 B7R0.4 N#CCSCC(=O)C Amb17501747 [1,1,0,0,0,0|1,0,1]=4 2566 B7R0.4 N#CSCCC(O)=O Amb24481186 [1,1,0,0,0,0|1,0,1]=4 2567 B7R0.4 N#C\C=C/CC(O)=O Amb18641630 [1,1,0,0,0,0|0,0,2]=4 2568 B7R0.4 NC(=O)CCCCI Amb25788033 [1,1,0,0,0,0|1,0,1]=4 2569 B7R0.4 NC(=O)CCNC=O Amb24630476 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [1,1,0,0,0,0|1,0,1]=4 2571 B7R0.4 NC(=O)CONC=O Amb25783022 [1,1,0,0,0,0|2,0,0]=4 2572 B7R0.4 NC(=O)CSCC=O Amb25806671 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.4 NC(=O)C\C=C\CCl Amb25169594 [1,1,0,0,0,0|1,0,1]=4 2574 B7R0.4 NC(N)=NCCC=O Amb25265924 [1,1,0,0,0,0|2,0,0]=4 2575 B7R0.4 NCCCCC(N)=O Amb18641897 [1,1,0,0,0,0|1,0,1]=4 2576 B7R0.4 NCCCCC([O-])=O Amb22753853 [1,1,0,0,0,0|0,0,2]=4 2577 B7R0.4 NCCCCP(O)=O Amb24520720 [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.4 NCCCNC(O)=O Amb24093884 [1,1,0,0,0,0|1,0,1]=4 2579 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,1]=4 2580 B7R0.4 NCCNCC(O)=O Amb19958818 [1,1,0,0,0,0|1,0,1]=4 2581 B7R0.4 NCCOCC(O)=O Amb18630146 [1,1,0,0,0,0|1,0,1]=4 2582 B7R0.4 NCCOCC(O)=O Amb22751540 [1,1,0,0,0,0|1,0,1]=4 2583 B7R0.4 NCCSCC(=O)C Amb17500454 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.4 NCCSCC(O)=O Amb20622325 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.4 NC\C=C\CC(O)=O Amb18641825 [1,1,0,0,0,0|0,0,1]=3 2587 B7R0.4 NNCCCC(O)=O Amb24455803 [1,1,0,0,0,0|1,0,1]=4 2588 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|0,0,2]=4 2589 B7R0.4 NOCCCC(O)=O Amb22011795 [1,1,0,0,0,0|0,0,2]=4 2590 B7R0.4 O=C(Cl)C\C=C\CCl Amb25127032 [1,1,0,0,0,0|1,0,1]=4 2591 B7R0.4 O=C(F)CCCCCl Amb24472276 [1,1,0,0,0,0|1,0,1]=4 2592 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [1,1,0,0,0,0|1,0,1]=4 2593 B7R0.4 O=CCCC=C(C)C Amb17593168 [1,1,0,0,0,0|1,0,0]=3 2594 B7R0.4 O=CCCC=C(F)F Amb25827612 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,0]=2 2596 B7R0.4 O=CCCNC(=O)C Amb17102165 [1,1,0,0,0,0|0,0,0]=2 2597 B7R0.4 OC(=O)CCC=C=C Amb10605299 [1,1,0,0,0,0|0,0,1]=3 2598 B7R0.4 OC(=O)CCN=C=S Amb24562253 [1,1,0,0,0,0|0,1,1]=4 2599 B7R0.4 OC(=O)CCNC=O Amb18290434 [1,1,0,0,0,0|0,0,0]=2 2600 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|0,0,1]=3 2601 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [1,1,0,0,0,0|0,0,1]=3 2602 B7R0.4 OC(=O)CNCCS Amb18124468 [1,1,0,0,0,0|0,1,1]=4 2603 B7R0.4 OC(=O)COCCBr Amb24057760 [1,1,0,0,0,0|1,0,1]=4 2604 B7R0.4 OC(=O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,1]=4 2605 B7R0.4 OC(=O)CSCC=O Amb24628311 [1,1,0,0,0,0|0,0,0]=2 2606 B7R0.4 OC(=O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,1]=4 2607 B7R0.4 OC(=O)CSCCS Amb24711400 [1,1,0,0,0,0|0,1,1]=4 2608 B7R0.4 OC(=O)CS\C=C/Cl Amb24693896 [1,1,0,0,0,0|1,0,1]=4 2609 B7R0.4 OC(=O)CS\C=C\Cl Amb18125504 [1,1,0,0,0,0|1,0,1]=4 2610 B7R0.4 OC(=O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,0,1]=3 2611 B7R0.4 OC(=O)C\C=C\C=C Amb17593152 [1,1,0,0,0,0|0,0,2]=4 2612 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [1,1,0,0,0,0|0,0,1]=3 2613 B7R0.4 OC(=O)C\C=C\CBr Amb18125611 [1,1,0,0,0,0|0,0,1]=3 2614 B7R0.4 OC(=O)C\C=C\CCl Amb18124409 [1,1,0,0,0,0|0,0,1]=3 2615 B7R0.4 OC(=O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,0,1]=3 2616 B7R0.4 OCC#CCC(O)=O Amb24395623 [1,1,0,0,0,0|0,0,2]=4 2617 B7R0.4 OCCCCC(=O)C Amb10603864 [1,1,0,0,0,0|0,0,1]=3 2618 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [1,1,0,0,0,0|0,0,2]=4 2619 B7R0.4 OCCCCC(O)=O Amb22351244 [1,1,0,0,0,0|0,0,1]=3 2620 B7R0.4 OCCSCC(=O)O Amb1110090 [1,1,0,0,0,0|0,0,2]=4 2621 B7R0.4 SCCCCC(=O)O Amb17503767 [1,1,0,0,0,0|0,0,1]=3 2622 B7R0.4 [N-]=[N+]=NCCC(O)=O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [1,1,0,0,0,0|0,0,2]=4 2624 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [1,1,0,0,0,0|0,0,2]=4 2625 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [1,1,0,0,0,0|0,0,2]=4 2626 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [1,1,0,0,0,0|0,0,2]=4 2627 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [1,1,0,0,0,0|0,0,2]=4 2628 B7R0.5 C=CCC(Br)C(=O)Cl Amb25690180 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [1,1,0,0,0,0|0,0,1]=3 2630 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [1,1,0,0,0,0|0,0,1]=3 2631 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [1,1,0,0,0,0|0,0,1]=3 2632 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [1,1,0,0,0,0|1,0,1]=4 2633 B7R0.5 C=CCC(O)C(=C)O Amb25072081 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [1,1,0,0,0,0|0,0,1]=3 2635 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [1,1,0,0,0,0|0,0,1]=3 2636 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [1,1,0,0,0,0|0,0,1]=3 2637 B7R0.5 CC#CC(C)C(O)=O Amb22748425 [1,1,0,0,0,0|0,0,2]=4 2638 B7R0.5 CC(=C)C(F)CCO Amb25189994 [1,1,0,0,0,0|1,0,1]=4 2639 B7R0.5 CC(=C)C(O)CC=O Amb24481571 [1,1,0,0,0,0|1,0,0]=3 2640 B7R0.5 CC(=C)C(O)CCO Amb25781203 [1,1,0,0,0,0|1,0,1]=4 2641 B7R0.5 CC(=C)[C@@H](O)CC=C Amb25856499 [1,1,0,0,0,0|2,0,0]=4 2642 B7R0.5 CC(=C)[C@H](O)CC=C Amb25257176 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.5 CC(=C=CC)C(O)=O Amb24481354 [1,1,0,0,0,0|0,0,2]=4 2644 B7R0.5 CC(=O)C(=C)CC=C Amb25043218 [1,1,0,0,0,0|1,0,1]=4 2645 B7R0.5 CC(=O)C(=C)CCO Amb25831249 [1,1,0,0,0,0|0,0,2]=4 2646 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|0,0,1]=3 2647 B7R0.5 CC(=O)C(=O)CCO Amb25074119 [1,1,0,0,0,0|0,0,2]=4 2648 B7R0.5 CC(=O)C(Cl)CC#N Amb18124339 [1,1,0,0,0,0|1,0,1]=4 2649 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|0,0,0]=2 2650 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [1,1,0,0,0,0|1,0,1]=4 2651 B7R0.5 CC(=O)C(F)CC=C Amb19889753 [1,1,0,0,0,0|1,0,0]=3 2652 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,1,0,0,0,0|0,0,1]=3 2653 B7R0.5 CC(=O)C(O)CC#N Amb24463934 [1,1,0,0,0,0|1,0,1]=4 2654 B7R0.5 CC(=O)C(O)CCS Amb24516694 [1,1,0,0,0,0|0,1,1]=4 2655 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,1,0,0,0,0|0,0,1]=3 2656 B7R0.5 CC(=O)N(N)CCO Amb18641953 [1,1,0,0,0,0|1,0,1]=4 2657 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [1,1,0,0,0,0|0,0,0]=2 2658 B7R0.5 CC(=O)[C@H](O)CC=C Amb24662420 [1,1,0,0,0,0|1,0,0]=3 2659 B7R0.5 CC(=O)\C(\C)=C/C=O Amb18641685 [1,1,0,0,0,0|0,0,2]=4 2660 B7R0.5 CC(C(=O)C)CCO Amb13881368 [1,1,0,0,0,0|0,0,1]=3 2661 B7R0.5 CC(C(=O)O)CC#N Amb17334056 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.5 CC(C(=O)O)CNC Amb13952364 [1,1,0,0,0,0|1,0,0]=3 2663 B7R0.5 CC(C)C(C)CC=O Amb18641816 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.5 CC(C)C(O)CC=O Amb24584440 [1,1,0,0,0,0|1,0,1]=4 2665 B7R0.5 CC(C)[C@H](C)CC=O Amb25253560 [1,1,0,0,0,0|1,0,1]=4 2666 B7R0.5 CC(C)[C@H](O)CC=O Amb24481570 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.5 CC(CC#C)C(O)=O Amb18633959 [1,1,0,0,0,0|0,0,2]=4 2668 B7R0.5 CC(CC=C)C(=O)Cl Amb25702960 [1,1,0,0,0,0|1,0,1]=4 2669 B7R0.5 CC(CC=C)C(C)=O Amb19373098 [1,1,0,0,0,0|1,0,0]=3 2670 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [1,1,0,0,0,0|0,0,0]=2 2671 B7R0.5 CC(CC=O)N(C)C Amb18203067 [1,1,0,0,0,0|2,0,0]=4 2672 B7R0.5 CC(CCF)C(O)=O Amb24678386 [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.5 CC(CCN)C(C)=O Amb18251071 [1,1,0,0,0,0|1,0,1]=4 2674 B7R0.5 CC(CCN)C(O)=O Amb20667970 [1,1,0,0,0,0|1,0,1]=4 2675 B7R0.5 CC(CCO)C(O)=O Amb18641949 [1,1,0,0,0,0|0,0,2]=4 2676 B7R0.5 CC(CCS)C(O)=O Amb25133689 [1,1,0,0,0,0|0,1,1]=4 2677 B7R0.5 CC(NC=O)C(C)=O Amb23442778 [1,1,0,0,0,0|1,0,0]=3 2678 B7R0.5 CC(NC=O)C(N)=O Amb24533730 [1,1,0,0,0,0|2,0,0]=4 2679 B7R0.5 CC(O)C(O)CC=O Amb25745503 [1,1,0,0,0,0|0,0,2]=4 2680 B7R0.5 CCCC(=C)C(O)=O Amb18641779 [1,1,0,0,0,0|0,0,2]=4 2681 B7R0.5 CCCC(=O)C(O)=O Amb22347924 [1,1,0,0,0,0|0,0,2]=4 2682 B7R0.5 CCCC(=O)C(O)=O Amb22733540 [1,1,0,0,0,0|0,0,2]=4 2683 B7R0.5 CCCC(Br)C(=O)Br Amb24369503 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.5 CCCC(C(=O)Cl)Br Amb17569837 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [1,1,0,0,0,0|0,0,1]=3 2686 B7R0.5 CCCC(C(=O)O)O Amb2582532 [1,1,0,0,0,0|0,0,1]=3 2687 B7R0.5 CCCC(Cl)C(N)=O Amb25024550 [1,1,0,0,0,0|1,0,1]=4 2688 B7R0.5 CCCC(F)C(O)=O Amb25842008 [1,1,0,0,0,0|0,0,1]=3 2689 B7R0.5 CCCC(N)C(=O)S Amb25378817 [1,1,0,0,0,0|0,1,1]=4 2690 B7R0.5 CCCC(N)C(N)=O Amb22284825 [1,1,0,0,0,0|1,0,1]=4 2691 B7R0.5 CCCC(O)C(C)=O Amb22495823 [1,1,0,0,0,0|1,0,1]=4 2692 B7R0.5 CCCC(O)C(N)=O Amb24116553 [1,1,0,0,0,0|1,0,1]=4 2693 B7R0.5 CCCC(O)C([O-])=O Amb22731263 [1,1,0,0,0,0|0,0,2]=4 2694 B7R0.5 CCCC(O)P(O)=O Amb25143218 [1,1,0,0,0,0|1,0,1]=4 2695 B7R0.5 CCCC(S)C(C)=O Amb24689502 [1,1,0,0,0,0|1,0,1]=4 2696 B7R0.5 CCCC(S)C(O)=O Amb18124440 [1,1,0,0,0,0|0,0,1]=3 2697 B7R0.5 CCC[C@@H](C)C(C)=O Amb24631887 [1,1,0,0,0,0|1,0,1]=4 2698 B7R0.5 CCC[C@@H](C)C(N)=O Amb25257881 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [1,1,0,0,0,0|1,0,1]=4 2700 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [1,1,0,0,0,0|1,0,1]=4 2701 B7R0.5 CCC[C@@H](O)C(C)=O Amb24432580 [1,1,0,0,0,0|1,0,1]=4 2702 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [1,1,0,0,0,0|0,0,1]=3 2703 B7R0.5 CCC[C@H](C)C(N)=O Amb25305606 [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [1,1,0,0,0,0|0,0,1]=3 2705 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.5 CCC[C@H](O)C(N)=O Amb25082239 [1,1,0,0,0,0|1,0,1]=4 2707 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [1,1,0,0,0,0|0,0,1]=3 2708 B7R0.5 CCN[C@H](C)C(O)=O Amb24351099 [1,1,0,0,0,0|1,0,1]=4 2709 B7R0.5 CCOC(O)C(O)=O Amb24680848 [1,1,0,0,0,0|1,0,1]=4 2710 B7R0.5 CCO[C@H](C)C(O)=O Amb24660035 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.5 CCSC(O)C(O)=O Amb24444218 [1,1,0,0,0,0|1,0,1]=4 2712 B7R0.5 CCS[C@@H](C)C(O)=O Amb25083211 [1,1,0,0,0,0|1,0,1]=4 2713 B7R0.5 CCS[C@H](C)C(O)=O Amb25259517 [1,1,0,0,0,0|1,0,1]=4 2714 B7R0.5 CNCC(=C)C(O)=O Amb24561619 [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.5 CNCC(C(=O)O)N Amb10071505 [1,1,0,0,0,0|1,0,0]=3 2716 B7R0.5 CNCC(C(=O)O)N Amb10845350 [1,1,0,0,0,0|1,0,0]=3 2717 B7R0.5 CNCC(C)C(C)=O Amb25340555 [1,1,0,0,0,0|2,0,0]=4 2718 B7R0.5 CNCC(F)C(O)=O Amb24666017 [1,1,0,0,0,0|1,0,0]=3 2719 B7R0.5 CNCC(N)C(N)=O Amb25316352 [1,1,0,0,0,0|2,0,0]=4 2720 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [1,1,0,0,0,0|1,0,0]=3 2721 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [1,1,0,0,0,0|1,0,0]=3 2722 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [1,1,0,0,0,0|1,0,0]=3 2723 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [1,1,0,0,0,0|1,0,0]=3 2724 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [1,1,0,0,0,0|1,0,0]=3 2725 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [1,1,0,0,0,0|1,0,0]=3 2726 B7R0.5 CNNC(C)C(O)=O Amb24070183 [1,1,0,0,0,0|2,0,0]=4 2727 B7R0.5 COCC(=O)C(O)=O Amb25304863 [1,1,0,0,0,0|1,0,1]=4 2728 B7R0.5 COCC(Br)C(C)=O Amb24483184 [1,1,0,0,0,0|2,0,0]=4 2729 B7R0.5 COCC(Br)C(N)=O Amb24740751 [1,1,0,0,0,0|2,0,0]=4 2730 B7R0.5 COCC(C(=O)O)Br Amb17594709 [1,1,0,0,0,0|1,0,0]=3 2731 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [1,1,0,0,0,0|1,0,0]=3 2732 B7R0.5 COCC(C)C(C)=O Amb24683449 [1,1,0,0,0,0|2,0,0]=4 2733 B7R0.5 COCC(C)S(O)=O Amb25280974 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.5 COCC(Cl)C(C)=O Amb25073897 [1,1,0,0,0,0|2,0,0]=4 2735 B7R0.5 COCC(F)C(O)=O Amb24526772 [1,1,0,0,0,0|1,0,0]=3 2736 B7R0.5 COCC(N)C(N)=O Amb18984372 [1,1,0,0,0,0|2,0,0]=4 2737 B7R0.5 COCC(O)C(C)=O Amb25072841 [1,1,0,0,0,0|2,0,0]=4 2738 B7R0.5 COCC(O)C(O)=O Amb18124273 [1,1,0,0,0,0|1,0,0]=3 2739 B7R0.5 COC[C@@H](N)C(N)=O Amb25211762 [1,1,0,0,0,0|2,0,0]=4 2740 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [1,1,0,0,0,0|1,0,0]=3 2741 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [1,1,0,0,0,0|1,0,0]=3 2742 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [1,1,0,0,0,0|1,0,0]=3 2743 B7R0.5 CSCC(C)C(=O)Cl Amb20247150 [1,1,0,0,0,0|2,0,0]=4 2744 B7R0.5 CSCC(C)C(C)=O Amb25268934 [1,1,0,0,0,0|2,0,0]=4 2745 B7R0.5 CSCC(C)C(N)=O Amb24475326 [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.5 CSCC(C)C(O)=O Amb18967825 [1,1,0,0,0,0|1,0,0]=3 2747 B7R0.5 CSCC(N)C(N)=O Amb18294390 [1,1,0,0,0,0|2,0,0]=4 2748 B7R0.5 CSCC(O)C(O)=O Amb25131873 [1,1,0,0,0,0|1,0,0]=3 2749 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [1,1,0,0,0,0|1,0,0]=3 2750 B7R0.5 CSSC(C)C(O)=O Amb25701741 [1,1,0,0,0,0|2,0,0]=4 2751 B7R0.5 C[C@@H](C(=O)O)CC#C Amb10844029 [1,1,0,0,0,0|0,0,2]=4 2752 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [1,1,0,0,0,0|0,0,1]=3 2753 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [1,1,0,0,0,0|0,0,1]=3 2754 B7R0.5 C[C@@H](CC=C)C(N)=O Amb25232867 [1,1,0,0,0,0|1,0,1]=4 2755 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [1,1,0,0,0,0|0,1,1]=4 2756 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [1,1,0,0,0,0|1,0,0]=3 2757 B7R0.5 C[C@H](C(=O)O)CC#C Amb10844036 [1,1,0,0,0,0|0,0,2]=4 2758 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [1,1,0,0,0,0|0,0,1]=3 2759 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [1,1,0,0,0,0|0,0,1]=3 2760 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [1,1,0,0,0,0|1,0,1]=4 2761 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [1,1,0,0,0,0|1,0,0]=3 2762 B7R0.5 C[C@H](CC#N)C(O)=O Amb24725603 [1,1,0,0,0,0|1,0,1]=4 2763 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [1,1,0,0,0,0|0,0,2]=4 2764 B7R0.5 C[Se]CC(=O)C(=O)O Amb17617778 [1,1,0,0,0,0|1,0,1]=4 2765 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [1,1,0,0,0,0|1,0,0]=3 2766 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [1,1,0,0,0,0|1,0,0]=3 2767 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [1,1,0,0,0,0|1,0,0]=3 2768 B7R0.5 C\C=C/C(N)C(N)=O Amb24679364 [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.5 C\C=C/C(O)C(=C)O Amb24437447 [1,1,0,0,0,0|1,0,1]=4 2770 B7R0.5 C\C=C/C(O)C(C)=O Amb24526785 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.5 C\C=C\C(=O)C(O)=O Amb24568283 [1,1,0,0,0,0|0,0,2]=4 2772 B7R0.5 C\C=C\C(C)C(N)=O Amb25299936 [1,1,0,0,0,0|1,0,1]=4 2773 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [1,1,0,0,0,0|0,0,1]=3 2774 B7R0.5 C\C=C\C(N)C(N)=O Amb24515058 [1,1,0,0,0,0|1,0,1]=4 2775 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [1,1,0,0,0,0|0,0,1]=3 2776 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [1,1,0,0,0,0|0,0,1]=3 2777 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [1,1,0,0,0,0|0,0,1]=3 2778 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [1,1,0,0,0,0|0,0,1]=3 2779 B7R0.5 C\C=C\[C@H](O)C(C)=O Amb25287343 [1,1,0,0,0,0|1,0,1]=4 2780 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [1,1,0,0,0,0|1,0,1]=4 2781 B7R0.5 NC(=O)C(O)CCO Amb25703294 [1,1,0,0,0,0|1,0,1]=4 2782 B7R0.5 NC(=O)C(S)CCO Amb24525295 [1,1,0,0,0,0|1,0,1]=4 2783 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [1,1,0,0,0,0|1,0,1]=4 2784 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [1,1,0,0,0,0|1,0,1]=4 2785 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [1,1,0,0,0,0|1,0,1]=4 2786 B7R0.5 NC(CCI)C(O)=O Amb25339674 [1,1,0,0,0,0|1,0,1]=4 2787 B7R0.5 NC(CCO)C(N)=O Amb24481392 [1,1,0,0,0,0|1,0,1]=4 2788 B7R0.5 NC(CCS)C(O)=O Amb19267093 [1,1,0,0,0,0|0,1,1]=4 2789 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [1,1,0,0,0,0|1,0,0]=3 2790 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [1,1,0,0,0,0|2,0,0]=4 2791 B7R0.5 NC(CSO)C(O)=O Amb24746797 [1,1,0,0,0,0|1,0,1]=4 2792 B7R0.5 NC(CSS)C(O)=O Amb24614616 [1,1,0,0,0,0|1,1,0]=4 2793 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [1,1,0,0,0,0|1,0,1]=4 2794 B7R0.5 NCCC(C(=O)O)F Amb10838221 [1,1,0,0,0,0|1,0,1]=4 2795 B7R0.5 NCCC(C(=O)O)O Amb16232090 [1,1,0,0,0,0|1,0,1]=4 2796 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [1,1,0,0,0,0|1,0,1]=4 2797 B7R0.5 NCCC(F)C(O)=O Amb22229524 [1,1,0,0,0,0|1,0,1]=4 2798 B7R0.5 NCCC(N)C(O)=O Amb17678762 [1,1,0,0,0,0|1,0,1]=4 2799 B7R0.5 NCCC(N)C(O)=O Amb22348212 [1,1,0,0,0,0|1,0,1]=4 2800 B7R0.5 NCCC(S)C(O)=O Amb25083375 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [1,1,0,0,0,0|1,0,1]=4 2802 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [1,1,0,0,0,0|1,0,1]=4 2803 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [1,1,0,0,0,0|1,0,1]=4 2808 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.5 NOCC(N)C(O)=O Amb24184086 [1,1,0,0,0,0|2,0,0]=4 2810 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [1,1,0,0,0,0|2,0,0]=4 2811 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [1,1,0,0,0,0|2,0,0]=4 2812 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [1,1,0,0,0,0|0,0,2]=4 2813 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,1,0,0,0,0|0,0,0]=2 2815 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,1,0,0,0,0|0,0,0]=2 2816 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [1,1,0,0,0,0|1,0,1]=4 2817 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [1,1,0,0,0,0|0,0,2]=4 2818 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [1,1,0,0,0,0|1,1,0]=4 2820 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [1,1,0,0,0,0|2,0,0]=4 2821 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [1,1,0,0,0,0|0,0,1]=3 2824 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [1,1,0,0,0,0|0,1,1]=4 2826 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,1,0,0,0,0|0,0,0]=2 2829 B7R0.5 O=CCN(C(=O)C)C Amb17080668 [1,1,0,0,0,0|1,0,0]=3 2830 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [1,1,0,0,0,0|1,0,0]=3 2831 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [1,1,0,0,0,0|1,0,1]=4 2832 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [1,1,0,0,0,0|1,0,1]=4 2833 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [1,1,0,0,0,0|1,0,1]=4 2834 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [1,1,0,0,0,0|0,0,2]=4 2835 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [1,1,0,0,0,0|0,1,1]=4 2836 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [1,1,0,0,0,0|0,0,2]=4 2837 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [1,1,0,0,0,0|0,0,2]=4 2838 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,1,0,0,0,0|0,0,0]=2 2839 B7R0.5 OC(CCS)C(O)=O Amb24586206 [1,1,0,0,0,0|0,1,1]=4 2840 B7R0.5 OCCC(O)C(O)=O Amb24689942 [1,1,0,0,0,0|0,0,2]=4 2841 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [1,1,0,0,0,0|1,0,1]=4 2843 B7R0.8 CC(C)(C)CCC=O Amb18641814 [1,1,0,0,0,0|1,0,1]=4 2844 B7R0.8 CC(C)(F)CCC=O Amb25223234 [1,1,0,0,0,0|1,0,1]=4 2845 B7R0.8 CCCCP(O)(O)=O Amb22053921 [1,1,0,0,0,0|1,0,1]=4 2846 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [1,1,0,0,0,0|1,0,1]=4 2847 B7R0.8 CCCCS(O)(=O)=O Amb22269868 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.8 CP(O)(=O)CCCO Amb24448096 [1,1,0,0,0,0|1,0,1]=4 2849 B7R0.8 CS(=O)(=O)CNC=O Amb23453031 [1,1,0,0,0,0|2,0,0]=4 2850 B7R0.8 CSCCS(O)(=O)=O Amb25200266 [1,1,0,0,0,0|2,0,0]=4 2851 B7R0.8 C[N+](C)(C)CCC=O Amb25831387 [1,1,0,0,0,0|2,0,0]=4 2852 B7R0.8 C[Si](C)(C)CCC=O Amb24374948 [1,1,0,0,0,0|1,1,0]=4 2853 B7R0.8 O=CCNS(=O)(=O)C Amb17102114 [1,1,0,0,0,0|2,0,0]=4 2854 B7R0.8 OCCCS(=O)(=O)C Amb10608209 [1,1,0,0,0,0|1,0,1]=4 2855 B7R0.8 OP(O)(=O)CCC=O Amb25350486 [1,1,0,0,0,0|1,0,0]=3 2856 B7R0.8 OP(O)(=O)CNC=O Amb24452772 [1,1,0,0,0,0|2,0,0]=4 2857 B7R0.8 OS(=O)(=O)CCC=O Amb25326186 [1,1,0,0,0,0|1,0,0]=3 2858 B7R0.9 CC(=O)CP(C)(C)=O Amb25370726 [0,1,0,0,1,0|2,0,0]=4 2859 B7R0.9 CC(=O)CP(O)(O)=O Amb24706713 [0,1,0,0,1,0|1,0,0]=3 2860 B7R0.9 CC(=O)CS(O)(=O)=O Amb24751070 [0,1,0,0,1,0|1,0,0]=3 2861 B7R0.9 CC(=O)OP(O)(O)=O Amb17673331 [0,1,0,0,1,0|2,0,0]=4 2862 B7R0.9 CC(=O)OP(O)(O)=O Amb22733227 [0,1,0,0,1,0|2,0,0]=4 2863 B7R0.9 CC(C)(N)CC(O)=O Amb19267108 [0,1,0,0,1,0|1,0,1]=4 2864 B7R0.9 CN(C)(C)CC(O)=O Amb22343422 [0,1,0,0,1,0|2,0,0]=4 2865 B7R0.9 CP(C)(=O)CC(O)=O Amb25197683 [0,1,0,0,1,0|1,0,0]=3 2866 B7R0.9 CS(C)(Br)CC(O)=O Amb25829058 [0,1,0,0,1,0|2,0,0]=4 2867 B7R0.9 C[N+](C)(C)CC(O)=O Amb22734051 [0,1,0,0,1,0|2,0,0]=4 2868 B7R0.9 C[P+](C)(C)CC(O)=O Amb24753800 [0,1,0,0,1,0|2,0,0]=4 2869 B7R0.9 C[Si](C)(C)CC(O)=O Amb19894126 [0,1,0,0,1,0|1,1,0]=4 2870 B7R0.9 NC(=O)CP(O)(O)=O Amb24481466 [0,1,0,0,1,0|2,0,0]=4 2871 B7R0.9 OC(=O)CC(O)(C)C Amb10605560 [0,1,0,0,1,0|0,0,2]=4 2872 B7R0.9 OC(=O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|2,0,0]=4 2873 B7R0.9 OC(=O)C[As+](C)(C)C Amb17608518 [0,1,0,0,1,0|2,0,0]=4 2874 B7R0.9 [O-]C(=O)C[As]([O-])(O)=O Amb21618903 [0,1,0,0,1,0|2,0,0]=4 2875 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [0,1,0,0,1,0|1,0,0]=3 2876 B7R0.16 C=C(Br)C(O)C(O)=O Amb24692957 [0,1,0,0,1,0|1,0,1]=4 2877 B7R0.16 C=C(Br)[C@H](N)C(O)=O Amb24383876 [0,1,0,0,1,0|1,0,1]=4 2878 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,1,0,0,1,0|1,0,1]=4 2879 B7R0.16 C=C(Cl)C(N)C(O)=O Amb18643039 [0,1,0,0,1,0|1,0,1]=4 2880 B7R0.16 C=C(F)C(N)C(O)=O Amb18641967 [0,1,0,0,1,0|1,0,1]=4 2881 B7R0.16 CC(=C(C(=O)O)Br)C Amb17594579 [0,1,0,0,1,0|1,0,1]=4 2882 B7R0.16 CC(=C(C(=O)O)C)C Amb17593186 [0,1,0,0,1,0|1,0,1]=4 2883 B7R0.16 CC(=C(N)O)C(C)=O Amb24741192 [0,1,0,0,1,0|1,0,1]=4 2884 B7R0.16 CC(=C)C(C)C(O)=O Amb18641781 [0,1,0,0,1,0|1,0,0]=3 2885 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [0,1,0,0,1,0|1,0,0]=3 2886 B7R0.16 CC(=C)[C@@H](C)C(O)=O Amb25355239 [0,1,0,0,1,0|1,0,0]=3 2887 B7R0.16 CC(=C)[C@@H](N)C(=C)O Amb25308010 [0,1,0,0,1,0|2,0,0]=4 2888 B7R0.16 CC(=O)C(=O)C(O)=O Amb24101563 [0,1,0,0,1,0|0,0,1]=3 2889 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,0,0,1,0|1,0,1]=4 2890 B7R0.16 CC(=O)C(Br)C(C)=C Amb24533829 [0,1,0,0,1,0|2,0,0]=4 2891 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,0,0,1,0|1,0,0]=3 2892 B7R0.16 CC(=O)C(Br)C(N)=O Amb24483263 [0,1,0,0,1,0|1,0,0]=3 2893 B7R0.16 CC(=O)C(C)C(=O)S Amb25094430 [0,1,0,0,1,0|0,1,0]=3 2894 B7R0.16 CC(=O)C(C)C(=S)Cl Amb24432212 [0,1,0,0,1,0|1,1,0]=4 2895 B7R0.16 CC(=O)C(C)C(N)=N Amb24629832 [0,1,0,0,1,0|2,0,0]=4 2896 B7R0.16 CC(=O)C(Cl)C(N)=O Amb24056422 [0,1,0,0,1,0|1,0,0]=3 2897 B7R0.16 CC(=O)C(F)C(C)=O Amb19889779 [0,1,0,0,1,0|1,0,0]=3 2898 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,1,0,0,1,0|0,0,0]=2 2899 B7R0.16 CC(=O)C(O)C(C)=C Amb24614054 [0,1,0,0,1,0|2,0,0]=4 2900 B7R0.16 CC(=O)C(S)=C(C)O Amb25327947 [0,1,0,0,1,0|1,0,1]=4 2901 B7R0.16 CC(=O)N(C)C(N)=O Amb24621834 [0,1,0,0,1,0|2,0,0]=4 2902 B7R0.16 CC(=O)N(Cl)C(N)=O Amb24481411 [0,1,0,0,1,0|2,0,0]=4 2903 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,1,0,0,1,0|2,0,0]=4 2904 B7R0.16 CC(=O)\C(\F)=C(\C)/O Amb24571214 [0,1,0,0,1,0|1,0,1]=4 2905 B7R0.16 CC(Br)C(N)C(O)=O Amb25775046 [0,1,0,0,1,0|1,0,1]=4 2906 B7R0.16 CC(C(=C)Br)C(O)=O Amb24483212 [0,1,0,0,1,0|1,0,1]=4 2907 B7R0.16 CC(C(=O)C)C(=O)C Amb1152249 [0,1,0,0,1,0|1,0,0]=3 2908 B7R0.16 CC(C(=O)Cl)C(=O)Cl Amb22232260 [0,1,0,0,1,0|2,0,0]=4 2909 B7R0.16 CC(C(=O)N)C(=O)C Amb10552518 [0,1,0,0,1,0|1,0,0]=3 2910 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [0,1,0,0,1,0|0,0,0]=2 2911 B7R0.16 CC(C(=O)O)C(C)C Amb17087469 [0,1,0,0,1,0|1,0,1]=4 2912 B7R0.16 CC(C(C(=O)C)C)O Amb17593202 [0,1,0,0,1,0|1,0,1]=4 2913 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [0,1,0,0,1,0|0,0,2]=4 2914 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [0,1,0,0,1,0|0,0,2]=4 2915 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [0,1,0,0,1,0|0,0,2]=4 2916 B7R0.16 CC(C(C(=O)O)N)F Amb10838661 [0,1,0,0,1,0|1,0,1]=4 2917 B7R0.16 CC(C(C(=O)O)N)S Amb17593434 [0,1,0,0,1,0|0,1,1]=4 2918 B7R0.16 CC(C(C)=O)S(C)=O Amb24481498 [0,1,0,0,1,0|2,0,0]=4 2919 B7R0.16 CC(C(C)=O)[N+]([O-])=O Amb24559893 [0,1,0,0,1,0|1,0,1]=4 2920 B7R0.16 CC(C(C)Br)C(O)=O Amb25111271 [0,1,0,0,1,0|1,0,1]=4 2921 B7R0.16 CC(C(C)N)C(O)=O Amb18124261 [0,1,0,0,1,0|1,0,1]=4 2922 B7R0.16 CC(C(C)S)C(O)=O Amb25842057 [0,1,0,0,1,0|0,1,1]=4 2923 B7R0.16 CC(C(N)=S)C(O)=O Amb24745670 [0,1,0,0,1,0|1,1,0]=4 2924 B7R0.16 CC(C(O)=O)=C(C)Br Amb24557990 [0,1,0,0,1,0|1,0,1]=4 2925 B7R0.16 CC(C(O)=O)=C(C)Cl Amb24481381 [0,1,0,0,1,0|1,0,1]=4 2926 B7R0.16 CC(C(O)=O)=C(C)N Amb24527948 [0,1,0,0,1,0|1,0,1]=4 2927 B7R0.16 CC(C(O)=O)N(C)Br Amb24743147 [0,1,0,0,1,0|2,0,0]=4 2928 B7R0.16 CC(C(O)=O)N(C)C Amb21955631 [0,1,0,0,1,0|2,0,0]=4 2929 B7R0.16 CC(C(O)=O)N(C)N Amb22372039 [0,1,0,0,1,0|2,0,0]=4 2930 B7R0.16 CC(C(O)=O)N(C)O Amb24714002 [0,1,0,0,1,0|1,0,1]=4 2931 B7R0.16 CC(C(O)=O)S(C)=O Amb18950743 [0,1,0,0,1,0|1,0,0]=3 2932 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [0,1,0,0,1,0|2,0,0]=4 2933 B7R0.16 CC(C)=C(Cl)C(O)=O Amb18642954 [0,1,0,0,1,0|1,0,1]=4 2934 B7R0.16 CC(C)=C(F)C(O)=O Amb20669103 [0,1,0,0,1,0|1,0,1]=4 2935 B7R0.16 CC(C)=C(S)C(O)=O Amb25360161 [0,1,0,0,1,0|1,0,1]=4 2936 B7R0.16 CC(C)C(F)C(O)=O Amb19957386 [0,1,0,0,1,0|1,0,1]=4 2937 B7R0.16 CC(C)C(N)[13C](O)=O Amb22338653 [0,1,0,0,1,0|1,0,1]=4 2938 B7R0.16 CC(C)C(S)C(O)=O Amb18282761 [0,1,0,0,1,0|1,0,1]=4 2939 B7R0.16 CC(C)C([15NH2])C(O)=O Amb22363191 [0,1,0,0,1,0|1,0,1]=4 2940 B7R0.16 CC(C)[13CH](N)C(O)=O Amb22367349 [0,1,0,0,1,0|1,0,1]=4 2941 B7R0.16 CC(C)[C@@H](Cl)C(O)=O Amb22353101 [0,1,0,0,1,0|1,0,1]=4 2942 B7R0.16 CC(C)[C@@H](F)C(O)=O Amb25083215 [0,1,0,0,1,0|1,0,1]=4 2943 B7R0.16 CC(C)[C@@H](N)C(O)=O Amb22746777 [0,1,0,0,1,0|1,0,1]=4 2944 B7R0.16 CC(C)[C@@H](S)C(O)=O Amb25320674 [0,1,0,0,1,0|1,0,1]=4 2945 B7R0.16 CC(C)[C@H](N)C(O)=O Amb22351111 [0,1,0,0,1,0|1,0,1]=4 2946 B7R0.16 CC(C)[C@H](N)[13C](O)=O Amb22354046 [0,1,0,0,1,0|1,0,1]=4 2947 B7R0.16 CC(C)[C@H](S)C(O)=O Amb25662094 [0,1,0,0,1,0|1,0,1]=4 2948 B7R0.16 CC(Cl)=C(Cl)C(O)=O Amb25272743 [0,1,0,0,1,0|1,0,1]=4 2949 B7R0.16 CC(Cl)C(N)C(O)=O Amb25269614 [0,1,0,0,1,0|1,0,1]=4 2950 B7R0.16 CC(Cl)C(O)C(O)=O Amb25222028 [0,1,0,0,1,0|1,0,1]=4 2951 B7R0.16 CC(F)C(Br)C(O)=O Amb25304346 [0,1,0,0,1,0|1,0,1]=4 2952 B7R0.16 CC(F)C(F)C(O)=O Amb24687273 [0,1,0,0,1,0|1,0,1]=4 2953 B7R0.16 CC(F)C(O)C(O)=O Amb24385715 [0,1,0,0,1,0|1,0,1]=4 2954 B7R0.16 CC(N)C(N)C(O)=O Amb17678795 [0,1,0,0,1,0|1,0,1]=4 2955 B7R0.16 CC(N)C(N)C(O)=O Amb22728051 [0,1,0,0,1,0|1,0,1]=4 2956 B7R0.16 CC(N)C(O)C(O)=O Amb18641970 [0,1,0,0,1,0|1,0,1]=4 2957 B7R0.16 CC(N)[C@H](N)C(O)=O Amb25083113 [0,1,0,0,1,0|1,0,1]=4 2958 B7R0.16 CC(O)C(N)C(C)=O Amb25026434 [0,1,0,0,1,0|1,0,1]=4 2959 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [0,1,0,0,1,0|0,0,2]=4 2960 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [0,1,0,0,1,0|0,0,2]=4 2961 B7R0.16 CC(S)[C@@H](N)C(O)=O Amb24606864 [0,1,0,0,1,0|0,1,1]=4 2962 B7R0.16 CC(S)[C@H](N)C(O)=O Amb25684204 [0,1,0,0,1,0|0,1,1]=4 2963 B7R0.16 CC([C@@H](C)N)C(O)=O Amb24680995 [0,1,0,0,1,0|1,0,1]=4 2964 B7R0.16 CN(C)C(N)C(O)=O Amb24746695 [0,1,0,0,1,0|2,0,0]=4 2965 B7R0.16 C[C@@H](C(=O)O)C(C)C Amb10844600 [0,1,0,0,1,0|1,0,1]=4 2966 B7R0.16 C[C@@H](C(O)=O)N(C)C Amb22587534 [0,1,0,0,1,0|2,0,0]=4 2967 B7R0.16 C[C@@H](C(O)=O)N(C)Cl Amb24640409 [0,1,0,0,1,0|2,0,0]=4 2968 B7R0.16 C[C@@H](Cl)[C@@H](Br)C(O)=O Amb24526448 [0,1,0,0,1,0|1,0,1]=4 2969 B7R0.16 C[C@@H](Cl)[C@@H](O)C(O)=O Amb24445574 [0,1,0,0,1,0|1,0,1]=4 2970 B7R0.16 C[C@@H](F)[C@H](N)C(O)=O Amb25789807 [0,1,0,0,1,0|1,0,1]=4 2971 B7R0.16 C[C@@H](N)[C@@H](N)C(O)=O Amb22745396 [0,1,0,0,1,0|1,0,1]=4 2972 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb22745441 [0,1,0,0,1,0|1,0,1]=4 2973 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb24481409 [0,1,0,0,1,0|1,0,1]=4 2974 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [0,1,0,0,1,0|0,0,2]=4 2975 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,1,0,0,1,0|0,0,2]=4 2976 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [0,1,0,0,1,0|0,0,2]=4 2977 B7R0.16 C[C@@H](O)[C@@H](N)C(C)=O Amb25238428 [0,1,0,0,1,0|1,0,1]=4 2978 B7R0.16 C[C@@H](O)[C@@H](O)C(C)=O Amb24701454 [0,1,0,0,1,0|1,0,1]=4 2979 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [0,1,0,0,1,0|0,0,2]=4 2980 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,1,0,0,1,0|0,0,2]=4 2981 B7R0.16 C[C@@H](O)[C@H](O)C(C)=O Amb24481484 [0,1,0,0,1,0|1,0,1]=4 2982 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,1,0,0,1,0|0,0,2]=4 2983 B7R0.16 C[C@@H](S)[C@@H](N)C(O)=O Amb24333717 [0,1,0,0,1,0|0,1,1]=4 2984 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24117242 [0,1,0,0,1,0|0,1,1]=4 2985 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24726915 [0,1,0,0,1,0|0,1,1]=4 2986 B7R0.16 C[C@@H]([C@@H](C)N)C(O)=O Amb24410324 [0,1,0,0,1,0|1,0,1]=4 2987 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [0,1,0,0,1,0|0,0,2]=4 2988 B7R0.16 C[C@H](Br)[C@H](N)C(O)=O Amb24711401 [0,1,0,0,1,0|1,0,1]=4 2989 B7R0.16 C[C@H](C(=O)O)C(C)C Amb10844601 [0,1,0,0,1,0|1,0,1]=4 2990 B7R0.16 C[C@H](C(O)=O)N(C)C Amb22586633 [0,1,0,0,1,0|2,0,0]=4 2991 B7R0.16 C[C@H](F)[C@H](N)C(O)=O Amb25805291 [0,1,0,0,1,0|1,0,1]=4 2992 B7R0.16 C[C@H](N)C(O)C(O)=O Amb24649032 [0,1,0,0,1,0|1,0,1]=4 2993 B7R0.16 C[C@H](N)[C@@H](F)C(O)=O Amb25293984 [0,1,0,0,1,0|1,0,1]=4 2994 B7R0.16 C[C@H](N)[C@@H](N)C(O)=O Amb17678796 [0,1,0,0,1,0|1,0,1]=4 2995 B7R0.16 C[C@H](N)[C@H](N)C(O)=O Amb17678797 [0,1,0,0,1,0|1,0,1]=4 2996 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb19929490 [0,1,0,0,1,0|1,0,1]=4 2997 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb24407396 [0,1,0,0,1,0|1,0,1]=4 2998 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,1,0,0,1,0|0,0,2]=4 2999 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [0,1,0,0,1,0|0,0,2]=4 3000 B7R0.16 C[C@H](S)[C@H](N)C(O)=O Amb25131648 [0,1,0,0,1,0|0,1,1]=4 3001 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [0,1,0,0,1,0|0,0,2]=4 3002 B7R0.16 C[C@H]([C@@H](C)N)C(O)=O Amb25679842 [0,1,0,0,1,0|1,0,1]=4 3003 B7R0.16 C[C@H]([C@@H](C)O)C(C)=O Amb25144117 [0,1,0,0,1,0|1,0,1]=4 3004 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,1,0,0,1,0|0,0,2]=4 3005 B7R0.16 C[C@H]([C@H](C)S)C(O)=O Amb24481380 [0,1,0,0,1,0|0,1,1]=4 3006 B7R0.16 C\C(\C(O)=O)=C(\C)/Br Amb18124498 [0,1,0,0,1,0|1,0,1]=4 3007 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [0,1,0,0,1,0|0,0,2]=4 3008 B7R0.16 Cl[C@H](C(=O)O)C(C)C Amb16232072 [0,1,0,0,1,0|1,0,1]=4 3009 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,1,0,0,1,0|1,0,1]=4 3010 B7R0.16 NC(=O)C(=O)C(O)=O Amb25344375 [0,1,0,0,1,0|1,0,1]=4 3011 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,1,0,0,1,0|2,0,0]=4 3012 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,1,0,0,1,0|1,0,0]=3 3013 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,1,0,0,1,0|1,0,0]=3 3014 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,1,0,0,1,0|1,0,0]=3 3015 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,1,0,0,1,0|1,0,0]=3 3016 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|1,0,0]=3 3017 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,1,0,0,1,0|2,0,0]=4 3018 B7R0.16 O=C(C(=O)C)C(=O)C Amb17593178 [0,1,0,0,1,0|1,0,1]=4 3019 B7R0.16 O=C(Cl)C(Br)C(=O)Cl Amb24482983 [0,1,0,0,1,0|2,0,0]=4 3020 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,1,0,0,1,0|1,0,1]=4 3021 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,1,0,0,1,0|1,0,1]=4 3022 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,1,0,0,1,0|1,0,1]=4 3023 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [0,1,0,0,1,0|1,0,0]=3 3024 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [0,1,0,0,1,0|1,0,0]=3 3025 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [0,1,0,0,1,0|1,0,0]=3 3026 B7R0.16 OC(C(=O)O)C(C)C Amb2582547 [0,1,0,0,1,0|1,0,1]=4 3027 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [0,1,0,0,1,0|2,0,0]=4 3028 B7R0.16 O[C@@H](C(=O)O)C(C)C Amb10071589 [0,1,0,0,1,0|1,0,1]=4 3029 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,1,0,0,1,0|0,0,2]=4 3030 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](O)=O Amb22338876 [0,1,0,0,1,0|1,0,1]=4 3031 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,1,0,0,1,0|0,0,2]=4 3032 B9R0.1 C#CC(=O)CCCC(=O)Cl Amb24523161 [0,1,0,0,0,1|1,0,1]=4 3033 B9R0.1 C#CC(=O)NCCC(N)=O Amb25279631 [0,1,0,0,0,1|1,0,1]=4 3034 B9R0.1 C=CC(=O)NCCC([O-])=O Amb20668483 [0,1,0,0,0,1|0,0,2]=4 3035 B9R0.1 C=CC(=O)OCCC(O)=O Amb18644058 [0,1,0,0,0,1|0,0,1]=3 3036 B9R0.1 CC(=C)CCCC(=O)C=C Amb25146598 [0,1,0,0,0,1|2,0,0]=4 3037 B9R0.1 CC(=C)CCCC(=O)CC Amb25832230 [0,1,0,0,0,1|2,0,0]=4 3038 B9R0.1 CC(=C)CCNC(=O)CC Amb24544729 [0,1,0,0,0,1|2,0,0]=4 3039 B9R0.1 CC(=C)CCNC(=O)CN Amb24578382 [0,1,0,0,0,1|2,0,0]=4 3040 B9R0.1 CC(=C)CCNC(=O)NC Amb25321294 [0,1,0,0,0,1|2,0,0]=4 3041 B9R0.1 CC(=C)CCOC(=O)CBr Amb24477369 [0,1,0,0,0,1|2,0,0]=4 3042 B9R0.1 CC(=C)CNCC(=O)OC Amb25139895 [0,1,0,0,0,1|1,0,0]=3 3043 B9R0.1 CC(=C)C\C=C\C(=O)OC Amb24657689 [0,1,0,0,0,1|1,0,1]=4 3044 B9R0.1 CC(=C)\C=C\CC(=O)OC Amb24712606 [0,1,0,0,0,1|1,0,1]=4 3045 B9R0.1 CC(=NO)SCCC(N)=O Amb25375755 [0,1,0,0,0,1|1,0,1]=4 3046 B9R0.1 CC(=O)C#COC(=O)OC Amb24415049 [0,1,0,0,0,1|0,0,2]=4 3047 B9R0.1 CC(=O)C=C=CC(=O)OC Amb25187269 [0,1,0,0,0,1|0,0,2]=4 3048 B9R0.1 CC(=O)CCCC(=C)C=C Amb25755744 [0,1,0,0,0,1|2,0,0]=4 3049 B9R0.1 CC(=O)CCCC(=N)NN Amb25146305 [0,1,0,0,0,1|2,0,0]=4 3050 B9R0.1 CC(=O)CCCC(=O)CC Amb24093547 [0,1,0,0,0,1|1,0,0]=3 3051 B9R0.1 CC(=O)CCCC(=O)NC Amb25790088 [0,1,0,0,0,1|1,0,0]=3 3052 B9R0.1 CC(=O)CCCC(Cl)C=O Amb24653770 [0,1,0,0,0,1|1,0,1]=4 3053 B9R0.1 CC(=O)CCCN(C)C=O Amb24631603 [0,1,0,0,0,1|2,0,0]=4 3054 B9R0.1 CC(=O)CCC[C@H](Cl)C=O Amb25101587 [0,1,0,0,0,1|1,0,1]=4 3055 B9R0.1 CC(=O)CCOC(=O)CC Amb25318811 [0,1,0,0,0,1|1,0,0]=3 3056 B9R0.1 CC(=O)CCOC(=O)CCl Amb24480607 [0,1,0,0,0,1|1,0,0]=3 3057 B9R0.1 CC(=O)CCOC(=O)CO Amb24482823 [0,1,0,0,0,1|0,0,0]=2 3058 B9R0.1 CC(=O)CCOC(=O)CS Amb25286689 [0,1,0,0,0,1|0,1,0]=3 3059 B9R0.1 CC(=O)CC\C=C(/C)\C=C Amb24646563 [0,1,0,0,0,1|2,0,0]=4 3060 B9R0.1 CC(=O)CC\C=C(/C)\C=O Amb18124577 [0,1,0,0,0,1|1,0,0]=3 3061 B9R0.1 CC(=O)CC\C=C(\C)/C=C Amb24504939 [0,1,0,0,0,1|2,0,0]=4 3062 B9R0.1 CC(=O)CC\C=C(\Cl)/C=O Amb25742942 [0,1,0,0,0,1|1,0,0]=3 3063 B9R0.1 CC(=O)COCC(=C)C#N Amb18643383 [0,1,0,0,0,1|2,0,0]=4 3064 B9R0.1 CC(=O)CSCC(=C)CC Amb24465878 [0,1,0,0,0,1|2,0,0]=4 3065 B9R0.1 CC(=O)CSCC(=O)NC Amb25783382 [0,1,0,0,0,1|1,0,0]=3 3066 B9R0.1 CC(=O)C\C=C\C(=O)OC Amb24670506 [0,1,0,0,0,1|0,0,1]=3 3067 B9R0.1 CC(=O)NCCC(=O)CBr Amb24551664 [0,1,0,0,0,1|1,0,0]=3 3068 B9R0.1 CC(=O)NCCC(=O)NC Amb25793084 [0,1,0,0,0,1|1,0,0]=3 3069 B9R0.1 CC(=O)NCCC(=O)SC Amb25279099 [0,1,0,0,0,1|0,1,0]=3 3070 B9R0.1 CC(=O)NCCC(O)C=C Amb24505298 [0,1,0,0,0,1|1,0,1]=4 3071 B9R0.1 CC(=O)NCNC(=O)C=C Amb24599976 [0,1,0,0,0,1|2,0,0]=4 3072 B9R0.1 CC(=O)OCCC(=C)C=O Amb18643822 [0,1,0,0,0,1|1,0,0]=3 3073 B9R0.1 CC(=O)OCCC(=C)CCl Amb24363129 [0,1,0,0,0,1|2,0,0]=4 3074 B9R0.1 CC(=O)OCCC(=O)C=C Amb24408459 [0,1,0,0,0,1|1,0,0]=3 3075 B9R0.1 CC(=O)OCCC(=O)CCl Amb25707775 [0,1,0,0,0,1|1,0,0]=3 3076 B9R0.1 CC(=O)OCCC(Br)C=O Amb25293178 [0,1,0,0,0,1|1,0,1]=4 3077 B9R0.1 CC(=O)OCC[C@H](O)CCl Amb24480674 [0,1,0,0,0,1|1,0,1]=4 3078 B9R0.1 CC(=O)OCNC(=O)C=C Amb24395027 [0,1,0,0,0,1|2,0,0]=4 3079 B9R0.1 CC(=O)OCNC(=O)OC Amb25147326 [0,1,0,0,0,1|1,0,0]=3 3080 B9R0.1 CC(=O)OCOC(=O)C=O Amb24502209 [0,1,0,0,0,1|1,0,1]=4 3081 B9R0.1 CC(=O)OCOC(=O)CO Amb25317635 [0,1,0,0,0,1|1,0,0]=3 3082 B9R0.1 CC(=O)OC\C=C(\C)/C=O Amb25828548 [0,1,0,0,0,1|1,0,1]=4 3083 B9R0.1 CC(=O)SCCC(=O)CC Amb24633438 [0,1,0,0,0,1|1,0,0]=3 3084 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [0,1,0,0,0,1|1,0,0]=3 3085 B9R0.1 CC(=O)SCNC(=O)CS Amb24383196 [0,1,0,0,0,1|1,1,0]=4 3086 B9R0.1 CC(=O)SC\C=C(/C)\C=O Amb24742766 [0,1,0,0,0,1|1,0,1]=4 3087 B9R0.1 CC(=O)\C=C\CC(=O)OC Amb25205440 [0,1,0,0,0,1|0,0,1]=3 3088 B9R0.1 CC(=O)\C=C\NC(=O)OC Amb25288496 [0,1,0,0,0,1|0,0,2]=4 3089 B9R0.1 CC(=O)\C=N\CC(=O)OC Amb25094290 [0,1,0,0,0,1|0,0,1]=3 3090 B9R0.1 CC(C#N)SCCC(O)=O Amb18800092 [0,1,0,0,0,1|1,0,1]=4 3091 B9R0.1 CC(C)=CCCC(=O)C#C Amb25233784 [0,1,0,0,0,1|2,0,0]=4 3092 B9R0.1 CC(C)=CCCC(=O)C=C Amb25720660 [0,1,0,0,0,1|2,0,0]=4 3093 B9R0.1 CC(C)=CCCC(=O)CBr Amb25826520 [0,1,0,0,0,1|2,0,0]=4 3094 B9R0.1 CC(C)=CCOC(=O)CO Amb24445096 [0,1,0,0,0,1|1,0,1]=4 3095 B9R0.1 CC(C)=NOCC(=O)OC Amb24478437 [0,1,0,0,0,1|2,0,0]=4 3096 B9R0.1 CC(C)CSCC(=O)NO Amb24380503 [0,1,0,0,0,1|1,0,1]=4 3097 B9R0.1 CC(C=C)NCCC(O)=O Amb24662882 [0,1,0,0,0,1|1,0,1]=4 3098 B9R0.1 CC(C=C)SCCC(O)=O Amb18182545 [0,1,0,0,0,1|1,0,1]=4 3099 B9R0.1 CC(C=O)=CNCC(O)=O Amb25255566 [0,1,0,0,0,1|0,0,1]=3 3100 B9R0.1 CC(CBr)=NOCC(O)=O Amb24747167 [0,1,0,0,0,1|2,0,0]=4 3101 B9R0.1 CC(CC)=NNCC(O)=O Amb25162373 [0,1,0,0,0,1|2,0,0]=4 3102 B9R0.1 CC(CC)=NOCC(O)=O Amb25266480 [0,1,0,0,0,1|2,0,0]=4 3103 B9R0.1 CC(CCCC(C)=O)=C=C Amb25689180 [0,1,0,0,0,1|2,0,0]=4 3104 B9R0.1 CC(CCCC(C)=O)C=O Amb24453385 [0,1,0,0,0,1|1,0,1]=4 3105 B9R0.1 CC(CCCC(O)=O)C#N Amb18643710 [0,1,0,0,0,1|1,0,1]=4 3106 B9R0.1 CC(CCCC(O)=O)C=C Amb24716210 [0,1,0,0,0,1|1,0,1]=4 3107 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [0,1,0,0,0,1|0,0,2]=4 3108 B9R0.1 CC(CCOC(C)=O)=CCl Amb25295488 [0,1,0,0,0,1|2,0,0]=4 3109 B9R0.1 CC(CCl)CCCC(O)=O Amb18646189 [0,1,0,0,0,1|1,0,1]=4 3110 B9R0.1 CC(CN)CNCC(O)=O Amb25773527 [0,1,0,0,0,1|1,0,1]=4 3111 B9R0.1 CC(CN)NCCC(O)=O Amb24520910 [0,1,0,0,0,1|1,0,1]=4 3112 B9R0.1 CC(CN)OCCC(O)=O Amb18629690 [0,1,0,0,0,1|1,0,1]=4 3113 B9R0.1 CC(CNCC(O)=O)=CCl Amb24482539 [0,1,0,0,0,1|1,0,0]=3 3114 B9R0.1 CC(CNCC(O)=O)C#N Amb25027854 [0,1,0,0,0,1|1,0,1]=4 3115 B9R0.1 CC(CO)CSCC(C)=O Amb24702606 [0,1,0,0,0,1|1,0,1]=4 3116 B9R0.1 CC(CO)NCCC(O)=O Amb17719769 [0,1,0,0,0,1|0,0,2]=4 3117 B9R0.1 CC(CO)SCCC(C)=O Amb24393859 [0,1,0,0,0,1|1,0,1]=4 3118 B9R0.1 CC(COCC(O)=O)=CCl Amb24482508 [0,1,0,0,0,1|1,0,0]=3 3119 B9R0.1 CC(CSCC(C)=C)=NO Amb24504833 [0,1,0,0,0,1|2,0,0]=4 3120 B9R0.1 CC(CSCC(N)=O)=CCl Amb24672369 [0,1,0,0,0,1|2,0,0]=4 3121 B9R0.1 CC(CSCC(N)=O)=NO Amb24450559 [0,1,0,0,0,1|1,0,1]=4 3122 B9R0.1 CC(O)CCNC(=O)CN Amb21958786 [0,1,0,0,0,1|1,0,1]=4 3123 B9R0.1 CC(O)CCNC(=O)CO Amb24482704 [0,1,0,0,0,1|0,0,2]=4 3124 B9R0.1 CC(O)COCC(=O)CO Amb24371356 [0,1,0,0,0,1|0,0,2]=4 3125 B9R0.1 CCC(=C)CNCC(N)=O Amb24706049 [0,1,0,0,0,1|2,0,0]=4 3126 B9R0.1 CCC(=O)CCCS(C)=O Amb24452285 [0,1,0,0,0,1|2,0,0]=4 3127 B9R0.1 CCC(=O)CCC[C@H](C)O Amb25723337 [0,1,0,0,0,1|1,0,1]=4 3128 B9R0.1 CCC(=O)CSCC(N)=O Amb25229958 [0,1,0,0,0,1|1,0,0]=3 3129 B9R0.1 CCC(=O)NCCC(=O)C Amb17102869 [0,1,0,0,0,1|1,0,0]=3 3130 B9R0.1 CCC(=O)NCCC(=O)N Amb17231982 [0,1,0,0,0,1|1,0,0]=3 3131 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,1,0,0,0,1|0,0,0]=2 3132 B9R0.1 CCC(=O)NCCC(=S)N Amb17232333 [0,1,0,0,0,1|1,1,0]=4 3133 B9R0.1 CCC(=O)NCCS(C)=O Amb24685610 [0,1,0,0,0,1|2,0,0]=4 3134 B9R0.1 CCC(=O)NCC[C@@H](C)O Amb25795858 [0,1,0,0,0,1|1,0,1]=4 3135 B9R0.1 CCC(=O)NCC[C@H](C)O Amb24386638 [0,1,0,0,0,1|1,0,1]=4 3136 B9R0.1 CCC(=O)OCCC(C)O Amb24735173 [0,1,0,0,0,1|1,0,1]=4 3137 B9R0.1 CCC(=O)OCCC(N)=O Amb24482884 [0,1,0,0,0,1|1,0,0]=3 3138 B9R0.1 CCC(=O)OCOC(=O)Cl Amb25212596 [0,1,0,0,0,1|2,0,0]=4 3139 B9R0.1 CCC(C)CCCC(O)=O Amb18124682 [0,1,0,0,0,1|1,0,1]=4 3140 B9R0.1 CCC(C)CSCC(O)=O Amb18800668 [0,1,0,0,0,1|1,0,1]=4 3141 B9R0.1 CCC(N)COCC(O)=O Amb18630610 [0,1,0,0,0,1|1,0,1]=4 3142 B9R0.1 CCC(O)CCCC(C)=O Amb25146602 [0,1,0,0,0,1|1,0,1]=4 3143 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [0,1,0,0,0,1|0,0,2]=4 3144 B9R0.1 CCC(O)CCOC(C)=O Amb25345386 [0,1,0,0,0,1|1,0,1]=4 3145 B9R0.1 CCC(O)CCSC(C)=O Amb24379978 [0,1,0,0,0,1|1,0,1]=4 3146 B9R0.1 CCC(O)COCC(O)=O Amb25805810 [0,1,0,0,0,1|0,0,2]=4 3147 B9R0.1 CCC(O)CSCC(O)=O Amb18792573 [0,1,0,0,0,1|0,0,2]=4 3148 B9R0.1 CCS(=O)CCCC(O)=O Amb18788302 [0,1,0,0,0,1|1,0,0]=3 3149 B9R0.1 CC\C(\C)=C/CCC(C)=O Amb25138109 [0,1,0,0,0,1|2,0,0]=4 3150 B9R0.1 CN(CCCC(O)=O)C=O Amb19010086 [0,1,0,0,0,1|1,0,0]=3 3151 B9R0.1 CNC(=O)CCCC(N)=O Amb24746424 [0,1,0,0,0,1|1,0,0]=3 3152 B9R0.1 CNC(=O)CCCC([O-])=O Amb24271120 [0,1,0,0,0,1|0,0,1]=3 3153 B9R0.1 CNC(=O)CCNC(N)=O Amb24361117 [0,1,0,0,0,1|1,0,0]=3 3154 B9R0.1 CNC(=O)CCNC(N)=S Amb18183468 [0,1,0,0,0,1|1,1,0]=4 3155 B9R0.1 CNC(=O)CNCC(=C)Br Amb18303977 [0,1,0,0,0,1|2,0,0]=4 3156 B9R0.1 CNC(=O)CNCC(=C)Cl Amb18303621 [0,1,0,0,0,1|2,0,0]=4 3157 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [0,1,0,0,0,1|0,0,0]=2 3158 B9R0.1 CNC(=O)CSCC(=C)Br Amb24271141 [0,1,0,0,0,1|2,0,0]=4 3159 B9R0.1 CNC(=O)CSCC(=C)Cl Amb25099948 [0,1,0,0,0,1|2,0,0]=4 3160 B9R0.1 CNC(=O)CSCC(C)O Amb24402730 [0,1,0,0,0,1|1,0,1]=4 3161 B9R0.1 CNC(=O)CSC[C@H](C)O Amb25169392 [0,1,0,0,0,1|1,0,1]=4 3162 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [0,1,0,0,0,1|0,0,0]=2 3163 B9R0.1 CNC(=O)NCCC(N)=N Amb25716347 [0,1,0,0,0,1|2,0,0]=4 3164 B9R0.1 CNC(=O)NCCC(N)=O Amb24421939 [0,1,0,0,0,1|1,0,0]=3 3165 B9R0.1 CNC(=O)NCC[C@@H](C)O Amb24482616 [0,1,0,0,0,1|1,0,1]=4 3166 B9R0.1 CNC(=O)N\C=C\C(O)=O Amb22960481 [0,1,0,0,0,1|0,0,2]=4 3167 B9R0.1 CNC(=O)SCCC(O)=O Amb25240640 [0,1,0,0,0,1|0,0,0]=2 3168 B9R0.1 CNC(=S)NCCC(N)=O Amb25789137 [0,1,0,0,0,1|1,1,0]=4 3169 B9R0.1 CNC(=S)NCCC(O)=O Amb24482274 [0,1,0,0,0,1|0,1,0]=3 3170 B9R0.1 CNC(=S)SCCC(O)=O Amb25794447 [0,1,0,0,0,1|0,1,0]=3 3171 B9R0.1 COC(=O)C=C=CC(O)=O Amb25694013 [0,1,0,0,0,1|0,0,2]=4 3172 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [0,1,0,0,0,1|1,0,1]=4 3173 B9R0.1 COC(=O)CCCC(=C)Br Amb24717516 [0,1,0,0,0,1|1,0,1]=4 3174 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [0,1,0,0,0,1|0,0,0]=2 3175 B9R0.1 COC(=O)CCCC(C)Br Amb24346809 [0,1,0,0,0,1|1,0,1]=4 3176 B9R0.1 COC(=O)CCCC(C)C Amb22586581 [0,1,0,0,0,1|1,0,1]=4 3177 B9R0.1 COC(=O)CCCC(C)Cl Amb24626627 [0,1,0,0,0,1|1,0,1]=4 3178 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [0,1,0,0,0,1|0,0,2]=4 3179 B9R0.1 COC(=O)CCCC(N)=N Amb24410040 [0,1,0,0,0,1|2,0,0]=4 3180 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [0,1,0,0,0,1|1,1,0]=4 3181 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [0,1,0,0,0,1|1,0,0]=3 3182 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [0,1,0,0,0,1|1,0,1]=4 3183 B9R0.1 COC(=O)CCNC(=O)C Amb15691935 [0,1,0,0,0,1|0,0,0]=2 3184 B9R0.1 COC(=O)CCNC(N)=N Amb24682015 [0,1,0,0,0,1|2,0,0]=4 3185 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [0,1,0,0,0,1|1,0,0]=3 3186 B9R0.1 COC(=O)CCNC(N)=S Amb18788132 [0,1,0,0,0,1|1,1,0]=4 3187 B9R0.1 COC(=O)CCNN(C)C Amb24113609 [0,1,0,0,0,1|2,0,0]=4 3188 B9R0.1 COC(=O)CCSC(C)C Amb18800665 [0,1,0,0,0,1|1,0,1]=4 3189 B9R0.1 COC(=O)CNCC(=C)Br Amb25214424 [0,1,0,0,0,1|1,0,1]=4 3190 B9R0.1 COC(=O)CNCC(=C)Cl Amb18800729 [0,1,0,0,0,1|1,0,1]=4 3191 B9R0.1 COC(=O)CNC[C@H](C)O Amb25773564 [0,1,0,0,0,1|0,0,2]=4 3192 B9R0.1 COC(=O)COCC(C)Cl Amb25257984 [0,1,0,0,0,1|1,0,1]=4 3193 B9R0.1 COC(=O)COCC(N)=O Amb25734268 [0,1,0,0,0,1|1,0,0]=3 3194 B9R0.1 COC(=O)COCC(O)=O Amb25305044 [0,1,0,0,0,1|0,0,0]=2 3195 B9R0.1 COC(=O)CONC(N)=O Amb25147372 [0,1,0,0,0,1|2,0,0]=4 3196 B9R0.1 COC(=O)CSCC(=C)Br Amb24445903 [0,1,0,0,0,1|1,0,1]=4 3197 B9R0.1 COC(=O)CSCC(=C)Cl Amb25168594 [0,1,0,0,0,1|1,0,1]=4 3198 B9R0.1 COC(=O)CSCC(=O)C Amb2444691 [0,1,0,0,0,1|0,0,0]=2 3199 B9R0.1 COC(=O)CSCC(C)O Amb18792574 [0,1,0,0,0,1|0,0,2]=4 3200 B9R0.1 COC(=O)CSCC(N)=O Amb18800701 [0,1,0,0,0,1|1,0,0]=3 3201 B9R0.1 COC(=O)CSC[C@@H](C)O Amb24375131 [0,1,0,0,0,1|0,0,2]=4 3202 B9R0.1 COC(=O)CSC[C@H](C)N Amb24396440 [0,1,0,0,0,1|1,0,1]=4 3203 B9R0.1 COC(=O)CSC[C@H](C)O Amb24375132 [0,1,0,0,0,1|0,0,2]=4 3204 B9R0.1 COC(=O)C\C=C\C(O)=O Amb25132100 [0,1,0,0,0,1|0,0,1]=3 3205 B9R0.1 COC(=O)NCCC(C)C Amb17793051 [0,1,0,0,0,1|1,0,1]=4 3206 B9R0.1 COC(=O)NCCC(C)N Amb25736003 [0,1,0,0,0,1|1,0,1]=4 3207 B9R0.1 COC(=O)NCCC(C)O Amb24747341 [0,1,0,0,0,1|0,0,2]=4 3208 B9R0.1 COC(=O)NCCC(N)=O Amb24459803 [0,1,0,0,0,1|1,0,0]=3 3209 B9R0.1 COC(=O)NCCC(N)=S Amb18182596 [0,1,0,0,0,1|1,1,0]=4 3210 B9R0.1 COC(=O)NCCN(C)C Amb25229032 [0,1,0,0,0,1|2,0,0]=4 3211 B9R0.1 COC(=O)NCC[C@@H](C)O Amb24353280 [0,1,0,0,0,1|0,0,2]=4 3212 B9R0.1 COC(=O)NN=CC(O)=O Amb24427251 [0,1,0,0,0,1|1,0,1]=4 3213 B9R0.1 COC(=O)NNCC(O)=O Amb25317249 [0,1,0,0,0,1|1,0,0]=3 3214 B9R0.1 COC(=O)NOCC(N)=O Amb24721208 [0,1,0,0,0,1|2,0,0]=4 3215 B9R0.1 COC(=O)N\C=C/C(O)=O Amb25104759 [0,1,0,0,0,1|0,0,2]=4 3216 B9R0.1 COC(=O)N\C=C\C(O)=O Amb24550444 [0,1,0,0,0,1|0,0,2]=4 3217 B9R0.1 COC(=S)SCCC(N)=O Amb25172010 [0,1,0,0,0,1|1,1,0]=4 3218 B9R0.1 COC(C)CCCC(C)=O Amb25146522 [0,1,0,0,0,1|1,0,1]=4 3219 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [0,1,0,0,0,1|0,0,2]=4 3220 B9R0.1 COC(C)CCOC(C)=O Amb19958959 [0,1,0,0,0,1|1,0,1]=4 3221 B9R0.1 COC(C)CNCC(O)=O Amb25695493 [0,1,0,0,0,1|0,0,2]=4 3222 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [0,1,0,0,0,1|0,0,0]=2 3223 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [0,1,0,0,0,1|0,0,0]=2 3224 B9R0.1 CS(=O)CCNC(=O)C#C Amb25833929 [0,1,0,0,0,1|2,0,0]=4 3225 B9R0.1 CS(=O)CCNC(=O)CBr Amb25084224 [0,1,0,0,0,1|2,0,0]=4 3226 B9R0.1 CS(=O)CCNC(=O)CS Amb25343940 [0,1,0,0,0,1|1,1,0]=4 3227 B9R0.1 CSC(=S)NCCC(N)=O Amb25772856 [0,1,0,0,0,1|1,1,0]=4 3228 B9R0.1 CSC(=S)NCCC(O)=O Amb25708472 [0,1,0,0,0,1|0,1,0]=3 3229 B9R0.1 CSC(C)CCCC(O)=O Amb25265803 [0,1,0,0,0,1|0,1,1]=4 3230 B9R0.1 CSC(C)CNCC(O)=O Amb25137618 [0,1,0,0,0,1|0,1,1]=4 3231 B9R0.1 C[C@@H](CCCC(O)=O)C=C Amb24447465 [0,1,0,0,0,1|1,0,1]=4 3232 B9R0.1 C[C@@H](CO)CCOC(C)=O Amb24464645 [0,1,0,0,0,1|1,0,1]=4 3233 B9R0.1 C[C@@H](O)CCNC(=O)CCl Amb25143749 [0,1,0,0,0,1|1,0,1]=4 3234 B9R0.1 C[C@@H](O)CCNC(=O)CO Amb24570702 [0,1,0,0,0,1|0,0,2]=4 3235 B9R0.1 C[C@H](CCCC(C)=O)C=O Amb25119261 [0,1,0,0,0,1|1,0,1]=4 3236 B9R0.1 C[C@H](CCCC(O)=O)C=C Amb25367325 [0,1,0,0,0,1|1,0,1]=4 3237 B9R0.1 C[C@H](CO)CCCC(C)=O Amb25335279 [0,1,0,0,0,1|1,0,1]=4 3238 B9R0.1 C[C@H](CO)CCNC(C)=O Amb24502371 [0,1,0,0,0,1|1,0,1]=4 3239 B9R0.1 C[C@H](O)CCNC(=O)CO Amb25358407 [0,1,0,0,0,1|0,0,2]=4 3240 B9R0.1 C\C(=C/CCC(C)=O)\C#C Amb24615286 [0,1,0,0,0,1|2,0,0]=4 3241 B9R0.1 C\C(=C/CCC(N)=O)\C=C Amb24502287 [0,1,0,0,0,1|2,0,0]=4 3242 B9R0.1 C\C(=C\CCC(C)=O)\C#C Amb24558023 [0,1,0,0,0,1|2,0,0]=4 3243 B9R0.1 C\C(=C\CCC(N)=O)\C=C Amb24680092 [0,1,0,0,0,1|2,0,0]=4 3244 B9R0.1 C\C(=C\CCC(O)=O)\C=C Amb18643583 [0,1,0,0,0,1|1,0,0]=3 3245 B9R0.1 C\C(\C=O)=C/NCC(O)=O Amb25339921 [0,1,0,0,0,1|0,0,1]=3 3246 B9R0.1 C\C(\CBr)=N/OCC(O)=O Amb25350489 [0,1,0,0,0,1|2,0,0]=4 3247 B9R0.1 C\C(\CCCC(O)=O)=C\C Amb25063828 [0,1,0,0,0,1|1,0,0]=3 3248 B9R0.1 C\C(\CF)=C/CCC(C)=O Amb25205662 [0,1,0,0,0,1|2,0,0]=4 3249 B9R0.1 C\C(\CF)=C\CCC(C)=O Amb24512770 [0,1,0,0,0,1|2,0,0]=4 3250 B9R0.1 C\C(\CNCC(O)=O)=C/C Amb24351586 [0,1,0,0,0,1|1,0,0]=3 3251 B9R0.1 C\C(\CNCC(O)=O)=C\C Amb25175094 [0,1,0,0,0,1|1,0,0]=3 3252 B9R0.1 C\C(\CO)=C\CCC(C)=C Amb24735174 [0,1,0,0,0,1|2,0,0]=4 3253 B9R0.1 C\C(\CO)=C\CCC(C)=O Amb24545611 [0,1,0,0,0,1|1,0,0]=3 3254 B9R0.1 C\C(\COCC(O)=O)=C\C Amb25293393 [0,1,0,0,0,1|1,0,0]=3 3255 B9R0.1 C\C(\Cl)=C\CCC(=O)C=C Amb25346808 [0,1,0,0,0,1|2,0,0]=4 3256 B9R0.1 NC(=N)NCCC(=O)NO Amb24681572 [0,1,0,0,0,1|2,0,0]=4 3257 B9R0.1 NC(=O)CCNC(=O)CN Amb21929344 [0,1,0,0,0,1|1,0,0]=3 3258 B9R0.1 NC(=O)CCNC(=O)CO Amb25739339 [0,1,0,0,0,1|1,0,0]=3 3259 B9R0.1 NC(=O)CCSC(=O)CN Amb25824263 [0,1,0,0,0,1|1,0,0]=3 3260 B9R0.1 NC(=O)CSCC(=O)NN Amb24632664 [0,1,0,0,0,1|2,0,0]=4 3261 B9R0.1 NC(=O)NCCC(=O)NO Amb25796572 [0,1,0,0,0,1|1,0,0]=3 3262 B9R0.1 NC(=O)SCCC(=O)NN Amb24707302 [0,1,0,0,0,1|2,0,0]=4 3263 B9R0.1 NC(CCCC(O)=O)=NO Amb24383149 [0,1,0,0,0,1|1,0,1]=4 3264 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [0,1,0,0,0,1|1,0,1]=4 3265 B9R0.1 NC(CCNC(N)=O)=NO Amb25838843 [0,1,0,0,0,1|2,0,0]=4 3266 B9R0.1 NC(CS)CCCC(O)=O Amb25706315 [0,1,0,0,0,1|1,0,1]=4 3267 B9R0.1 NC(CSCC(N)=O)=NO Amb24718708 [0,1,0,0,0,1|2,0,0]=4 3268 B9R0.1 NC(NCCC(N)=O)=NO Amb24425915 [0,1,0,0,0,1|2,0,0]=4 3269 B9R0.1 NCC(=O)CCCC(O)=O Amb18202122 [0,1,0,0,0,1|0,0,0]=2 3270 B9R0.1 NCC(=O)CCCC(O)=O Amb22035333 [0,1,0,0,0,1|0,0,0]=2 3271 B9R0.1 NCC(=O)CNCB(O)O Amb24591556 [0,1,0,0,0,1|1,0,1]=4 3272 B9R0.1 NCC(=O)NNCC(O)=O Amb25142422 [0,1,0,0,0,1|1,0,0]=3 3273 B9R0.1 NCC(=O)N\C=C\C(O)=O Amb24357725 [0,1,0,0,0,1|0,0,2]=4 3274 B9R0.1 NCC(N)CCCC(O)=O Amb24375177 [0,1,0,0,0,1|1,0,1]=4 3275 B9R0.1 NCC(N)COCC(O)=O Amb24677956 [0,1,0,0,0,1|1,0,1]=4 3276 B9R0.1 NC[C@@H](N)CCCC(O)=O Amb25147297 [0,1,0,0,0,1|1,0,1]=4 3277 B9R0.1 NNC(=N)SCCC(O)=O Amb24502294 [0,1,0,0,0,1|2,0,0]=4 3278 B9R0.1 NNC(=O)CCCC(O)=O Amb25809648 [0,1,0,0,0,1|1,0,0]=3 3279 B9R0.1 NNC(=O)COCC(O)=O Amb25133545 [0,1,0,0,0,1|1,0,0]=3 3280 B9R0.1 NNC(=O)SCCC(O)=O Amb24482179 [0,1,0,0,0,1|1,0,0]=3 3281 B9R0.1 N[C@@H](CS)CCCC(O)=O Amb25288626 [0,1,0,0,0,1|1,0,1]=4 3282 B9R0.1 N[C@H](CS)CCCC(O)=O Amb24482180 [0,1,0,0,0,1|1,0,1]=4 3283 B9R0.1 N\C(\CSCC(O)=O)=C/N Amb24069132 [0,1,0,0,0,1|1,0,1]=4 3284 B9R0.1 N\C(\NCCC(O)=O)=N/N Amb24682101 [0,1,0,0,0,1|2,0,0]=4 3285 B9R0.1 O=C\C(=C\COC(=O)C)\C Amb17593584 [0,1,0,0,0,1|1,0,1]=4 3286 B9R0.1 O=NN(CCCC(=O)O)C Amb17618588 [0,1,0,0,0,1|1,0,0]=3 3287 B9R0.1 OC(=O)CCCC(Cl)CCl Amb18649051 [0,1,0,0,0,1|1,0,1]=4 3288 B9R0.1 OC(=O)CCCN(O)C=O Amb25320259 [0,1,0,0,0,1|2,0,0]=4 3289 B9R0.1 OC(=O)CCNC(=O)CBr Amb17609911 [0,1,0,0,0,1|0,0,0]=2 3290 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,0]=2 3291 B9R0.1 OC(=O)CCNC(=O)CS Amb24754483 [0,1,0,0,0,1|0,0,0]=2 3292 B9R0.1 OC(=O)CNCC(S)C=O Amb24482295 [0,1,0,0,0,1|1,0,1]=4 3293 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [0,1,0,0,0,1|1,0,1]=4 3294 B9R0.1 OC(=O)COCC(Cl)=CCl Amb25146950 [0,1,0,0,0,1|1,0,1]=4 3295 B9R0.1 OC(=O)COCC(S)CS Amb18129098 [0,1,0,0,0,1|0,1,1]=4 3296 B9R0.1 OC(=O)CONC(=O)CCl Amb25825072 [0,1,0,0,0,1|1,0,0]=3 3297 B9R0.1 OC(=O)CSCC(Cl)=CCl Amb24658465 [0,1,0,0,0,1|1,0,1]=4 3298 B9R0.1 OCC(O)CNCC(O)=O Amb24360971 [0,1,0,0,0,1|0,0,2]=4 3299 B9R0.1 OCC(O)COCC(O)=O Amb24534716 [0,1,0,0,0,1|0,0,2]=4 3300 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,1,0,0,0,1|1,0,1]=4 3301 B9R0.7 CC(=C)C(=O)CCC(N)=O Amb24479003 [0,1,0,0,0,1|2,0,0]=4 3302 B9R0.7 CC(=C)C(=O)OCC(O)=O Amb18644056 [0,1,0,0,0,1|1,0,1]=4 3303 B9R0.7 CC(=C)C(O)C#CC(O)=O Amb24630527 [0,1,0,0,0,1|1,0,1]=4 3304 B9R0.7 CC(=C)CCC(=C)C(C)=O Amb25700996 [0,1,0,0,0,1|2,0,0]=4 3305 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,1,0,0,0,1|1,0,0]=3 3306 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,1,0,0,0,1|1,0,0]=3 3307 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,1,0,0,0,1|1,0,0]=3 3308 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,1,0,0,0,1|1,0,0]=3 3309 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,1,0,0,0,1|1,0,0]=3 3310 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,1,0,0,0,1|1,0,0]=3 3311 B9R0.7 CC(=N)C(=O)NCC(O)=O Amb25694426 [0,1,0,0,0,1|1,0,1]=4 3312 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,1,0,0,0,1|1,0,0]=3 3313 B9R0.7 CC(=O)C(=C)COC(C)=O Amb25359020 [0,1,0,0,0,1|1,0,1]=4 3314 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,1,0,0,0,1|0,0,0]=2 3315 B9R0.7 CC(=O)C(=O)COC(C)=O Amb25094676 [0,1,0,0,0,1|1,0,1]=4 3316 B9R0.7 CC(=O)C(=O)NCC(C)=O Amb24376332 [0,1,0,0,0,1|1,0,1]=4 3317 B9R0.7 CC(=O)C(=O)NCC(N)=O Amb25147496 [0,1,0,0,0,1|1,0,1]=4 3318 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,1,0,0,0,1|0,0,0]=2 3319 B9R0.7 CC(=O)C(C)C=NC(N)=O Amb24695370 [0,1,0,0,0,1|1,0,1]=4 3320 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,0,1|1,0,0]=3 3321 B9R0.7 CC(=O)C(C)CNC(C)=O Amb24072033 [0,1,0,0,0,1|1,0,0]=3 3322 B9R0.7 CC(=O)C(C)SCC(=C)Br Amb25069507 [0,1,0,0,0,1|2,0,0]=4 3323 B9R0.7 CC(=O)C(C)SCC(C)=O Amb24482830 [0,1,0,0,0,1|1,0,0]=3 3324 B9R0.7 CC(=O)C(C)\C=N\C(N)=O Amb25789488 [0,1,0,0,0,1|1,0,1]=4 3325 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,1,0,0,0,1|1,0,0]=3 3326 B9R0.7 CC(=O)C(Cl)CO[N+]([O-])=O Amb25268313 [0,1,0,0,0,1|1,0,1]=4 3327 B9R0.7 CC(=O)C(F)COC(C)=O Amb25319947 [0,1,0,0,0,1|1,0,0]=3 3328 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,1,0,0,0,1|1,0,0]=3 3329 B9R0.7 CC(=O)CCC(=C(F)F)F Amb16185918 [0,1,0,0,0,1|2,0,0]=4 3330 B9R0.7 CC(=O)CCC(=C)C(C)=O Amb25303019 [0,1,0,0,0,1|1,0,0]=3 3331 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,1,0,0,0,1|1,0,0]=3 3332 B9R0.7 CC(=O)CCC(C)C(C)=C Amb25702190 [0,1,0,0,0,1|2,0,0]=4 3333 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,1,0,0,0,1|1,0,0]=3 3334 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,1,0,0,0,1|0,0,0]=2 3335 B9R0.7 CC(=O)CCC(Cl)C(C)=C Amb25242489 [0,1,0,0,0,1|2,0,0]=4 3336 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,1,0,0,0,1|1,0,0]=3 3337 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,1,0,0,0,1|0,0,0]=2 3338 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,1,0,0,0,1|0,0,0]=2 3339 B9R0.7 CC(=O)CCN(C)C(C)=O Amb24352049 [0,1,0,0,0,1|1,0,0]=3 3340 B9R0.7 CC(=O)CC[C@@H](C)C(C)=C Amb24646916 [0,1,0,0,0,1|2,0,0]=4 3341 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,1,0,0,0,1|0,0,0]=2 3342 B9R0.7 CC(=O)CC[C@H](C)C(C)=C Amb24583145 [0,1,0,0,0,1|2,0,0]=4 3343 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,1,0,0,0,1|1,0,0]=3 3344 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,1,0,0,0,1|0,0,0]=2 3345 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,1,0,0,0,1|0,0,1]=3 3346 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,1,0,0,0,1|0,0,0]=2 3347 B9R0.7 CC(=O)N(C)CCC(N)=O Amb25688630 [0,1,0,0,0,1|1,0,0]=3 3348 B9R0.7 CC(=O)N(C)CCS(C)=O Amb25260062 [0,1,0,0,0,1|2,0,0]=4 3349 B9R0.7 CC(=O)N(C)CNC(C)=O Amb24339205 [0,1,0,0,0,1|2,0,0]=4 3350 B9R0.7 CC(=O)NCC(C)C(C)=C Amb24359912 [0,1,0,0,0,1|2,0,0]=4 3351 B9R0.7 CC(=O)NCC(C)C(N)=S Amb18797865 [0,1,0,0,0,1|1,1,0]=4 3352 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,1,0,0,0,1|0,0,0]=2 3353 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,1,0,0,0,1|0,0,0]=2 3354 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,1,0,0,0,1|0,0,0]=2 3355 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,1,0,0,0,1|0,0,0]=2 3356 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,1,0,0,0,1|0,0,0]=2 3357 B9R0.7 CC(=O)NN=C(C)C(O)=O Amb25367709 [0,1,0,0,0,1|1,0,1]=4 3358 B9R0.7 CC(=O)NNC(=O)C(O)=O Amb25185290 [0,1,0,0,0,1|1,0,1]=4 3359 B9R0.7 CC(=O)NNC(C)C(N)=O Amb24688902 [0,1,0,0,0,1|2,0,0]=4 3360 B9R0.7 CC(=O)NNC(C)C(O)=O Amb24679763 [0,1,0,0,0,1|1,0,0]=3 3361 B9R0.7 CC(=O)NN[C@@H](C)C(O)=O Amb24068257 [0,1,0,0,0,1|1,0,0]=3 3362 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,1,0,0,0,1|0,0,1]=3 3363 B9R0.7 CC(=O)OCC(Br)C(C)=C Amb25733514 [0,1,0,0,0,1|2,0,0]=4 3364 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,1,0,0,0,1|0,0,0]=2 3365 B9R0.7 CC(=O)OCC(C)C(N)=O Amb24356443 [0,1,0,0,0,1|1,0,0]=3 3366 B9R0.7 CC(=O)OCC(Cl)C(=O)Cl Amb24692678 [0,1,0,0,0,1|1,0,0]=3 3367 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,1,0,0,0,1|0,0,0]=2 3368 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,1,0,0,0,1|0,0,0]=2 3369 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,1,0,0,0,1|0,0,0]=2 3370 B9R0.7 CC(=O)OC[C@H](C)C(N)=O Amb25147342 [0,1,0,0,0,1|1,0,0]=3 3371 B9R0.7 CC(=O)ON=C(Cl)C(O)=O Amb25702873 [0,1,0,0,0,1|1,0,1]=4 3372 B9R0.7 CC(=O)ON[C@@H](C)C(O)=O Amb25096728 [0,1,0,0,0,1|1,0,0]=3 3373 B9R0.7 CC(=O)O\N=C(/C)\C(O)=O Amb24579771 [0,1,0,0,0,1|1,0,1]=4 3374 B9R0.7 CC(=O)O\N=C(/Cl)\C(O)=O Amb25258406 [0,1,0,0,0,1|1,0,1]=4 3375 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,1,0,0,0,1|0,0,1]=3 3376 B9R0.7 CC(=O)SCC(C(=O)Cl)C Amb16232721 [0,1,0,0,0,1|1,0,0]=3 3377 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,1,0,0,0,1|1,0,0]=3 3378 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,1,0,0,0,1|0,0,0]=2 3379 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,1,0,0,0,1|0,0,0]=2 3380 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,1,0,0,0,1|0,0,0]=2 3381 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,1,0,0,0,1|1,0,0]=3 3382 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,1,0,0,0,1|0,0,0]=2 3383 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,1,0,0,0,1|1,0,0]=3 3384 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,1,0,0,0,1|0,0,0]=2 3385 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,1,0,0,0,1|0,0,0]=2 3386 B9R0.7 CC(=O)[C@H](C)COC(C)=O Amb24457434 [0,1,0,0,0,1|1,0,0]=3 3387 B9R0.7 CC(=O)\C(\C)=C/CC(C)=O Amb24589098 [0,1,0,0,0,1|1,0,1]=4 3388 B9R0.7 CC(=O)\C=C\C(C)C(C)=O Amb25112484 [0,1,0,0,0,1|1,0,1]=4 3389 B9R0.7 CC(C)=C(C)CCC(O)=O Amb24505016 [0,1,0,0,0,1|1,0,0]=3 3390 B9R0.7 CC(C)=C=CC(C)C(O)=O Amb25063829 [0,1,0,0,0,1|1,0,1]=4 3391 B9R0.7 CC(C)=CCC(=C)C(O)=O Amb25312869 [0,1,0,0,0,1|1,0,1]=4 3392 B9R0.7 CC(C)=CCC(C)C(C)=O Amb24727108 [0,1,0,0,0,1|2,0,0]=4 3393 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,1,0,0,0,1|1,0,0]=3 3394 B9R0.7 CC(C)=CCC(Cl)C(C)=O Amb24372865 [0,1,0,0,0,1|2,0,0]=4 3395 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,1,0,0,0,1|1,0,0]=3 3396 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,1,0,0,0,1|2,0,0]=4 3397 B9R0.7 CC(C)=CCC(O)C(C)=O Amb24356685 [0,1,0,0,0,1|2,0,0]=4 3398 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,1,0,0,0,1|1,0,0]=3 3399 B9R0.7 CC(C)=CC[C@@H](O)C(C)=O Amb24662470 [0,1,0,0,0,1|2,0,0]=4 3400 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,1,0,0,0,1|1,0,0]=3 3401 B9R0.7 CC(C)=CC[C@H](O)C(C)=O Amb24648883 [0,1,0,0,0,1|2,0,0]=4 3402 B9R0.7 CC(C)=NO[C@@H](C)C(O)=O Amb24349833 [0,1,0,0,0,1|2,0,0]=4 3403 B9R0.7 CC(C)C(Br)CCC(O)=O Amb24640345 [0,1,0,0,0,1|1,0,1]=4 3404 B9R0.7 CC(C)C(C)CCC(O)=O Amb25843702 [0,1,0,0,0,1|1,0,1]=4 3405 B9R0.7 CC(C)C(C)OCC(O)=O Amb24479217 [0,1,0,0,0,1|1,0,1]=4 3406 B9R0.7 CC(C)C(Cl)CCC(O)=O Amb24413514 [0,1,0,0,0,1|1,0,1]=4 3407 B9R0.7 CC(C)C(F)CCC(O)=O Amb24480880 [0,1,0,0,0,1|1,0,1]=4 3408 B9R0.7 CC(C)C(N)CCC(O)=O Amb18124745 [0,1,0,0,0,1|1,0,1]=4 3409 B9R0.7 CC(C)C(O)CCC(O)=O Amb25252592 [0,1,0,0,0,1|1,0,1]=4 3410 B9R0.7 CC(C)C(S)CCC(O)=O Amb25723893 [0,1,0,0,0,1|1,0,1]=4 3411 B9R0.7 CC(C)CCC(Br)C(O)=O Amb18131059 [0,1,0,0,0,1|1,0,1]=4 3412 B9R0.7 CC(C)CCC(C)C(O)=O Amb19033547 [0,1,0,0,0,1|1,0,1]=4 3413 B9R0.7 CC(C)CCC(N)C(O)=O Amb19269152 [0,1,0,0,0,1|1,0,1]=4 3414 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb19133196 [0,1,0,0,0,1|1,0,1]=4 3415 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb22899130 [0,1,0,0,0,1|1,0,1]=4 3416 B9R0.7 CC(C)CN[C@H](C)C(O)=O Amb25300819 [0,1,0,0,0,1|1,0,1]=4 3417 B9R0.7 CC(C)NCC(N)C(O)=O Amb25790256 [0,1,0,0,0,1|1,0,1]=4 3418 B9R0.7 CC(C)NC[C@H](N)C(O)=O Amb24682685 [0,1,0,0,0,1|1,0,1]=4 3419 B9R0.7 CC(C)NC[C@H](O)C(O)=O Amb24479668 [0,1,0,0,0,1|1,0,1]=4 3420 B9R0.7 CC(C)OCC(O)C(O)=O Amb24583914 [0,1,0,0,0,1|1,0,1]=4 3421 B9R0.7 CC(C)OC[C@@H](N)C(O)=O Amb24479342 [0,1,0,0,0,1|1,0,1]=4 3422 B9R0.7 CC(C)OC[C@H](O)C(O)=O Amb24480796 [0,1,0,0,0,1|1,0,1]=4 3423 B9R0.7 CC(C)S(=O)CCC(O)=O Amb18312508 [0,1,0,0,0,1|1,0,1]=4 3424 B9R0.7 CC(C)SCC(C)C(O)=O Amb18303880 [0,1,0,0,0,1|1,0,1]=4 3425 B9R0.7 CC(C)SCC(O)C(O)=O Amb24728812 [0,1,0,0,0,1|1,0,1]=4 3426 B9R0.7 CC(C)SC[C@@H](N)C(O)=O Amb18792510 [0,1,0,0,0,1|1,0,1]=4 3427 B9R0.7 CC(C)SC[C@H](N)C(O)=O Amb25087870 [0,1,0,0,0,1|1,0,1]=4 3428 B9R0.7 CC(C)SC[C@H](O)C(O)=O Amb25362660 [0,1,0,0,0,1|1,0,1]=4 3429 B9R0.7 CC(C)[C@@H](C)CCC(O)=O Amb25076667 [0,1,0,0,0,1|1,0,1]=4 3430 B9R0.7 CC(C)[C@H](N)CCC(O)=O Amb24452899 [0,1,0,0,0,1|1,0,1]=4 3431 B9R0.7 CC(CCC(C)Br)C(O)=O Amb24452260 [0,1,0,0,0,1|1,0,1]=4 3432 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,1,0,0,0,1|2,0,0]=4 3433 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,1,0,0,0,1|1,0,0]=3 3434 B9R0.7 CC(COC(C)=O)C(C)O Amb24719537 [0,1,0,0,0,1|1,0,1]=4 3435 B9R0.7 CC(CSC(N)=S)C(O)=O Amb24509733 [0,1,0,0,0,1|1,1,0]=4 3436 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,1,0,0,0,1|1,0,0]=3 3437 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,1,0,0,0,1|1,0,0]=3 3438 B9R0.7 CC(Cl)C(=O)CCC(O)=O Amb25362323 [0,1,0,0,0,1|1,0,1]=4 3439 B9R0.7 CC(Cl)C(O)CCC(O)=O Amb24677604 [0,1,0,0,0,1|1,0,1]=4 3440 B9R0.7 CC(Cl)CCC(N)C(O)=O Amb24692699 [0,1,0,0,0,1|1,0,1]=4 3441 B9R0.7 CC(Cl)CC[C@H](N)C(O)=O Amb24692939 [0,1,0,0,0,1|1,0,1]=4 3442 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,1,0,0,0,1|1,0,0]=3 3443 B9R0.7 CC(F)C(O)CCC(O)=O Amb25831840 [0,1,0,0,0,1|1,0,1]=4 3444 B9R0.7 CC(N)C(=O)CCC(O)=O Amb25709431 [0,1,0,0,0,1|1,0,1]=4 3445 B9R0.7 CC(N)C(N)CCC(O)=O Amb24377171 [0,1,0,0,0,1|1,0,1]=4 3446 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,0,1|1,0,1]=4 3447 B9R0.7 CC(NCC(=C)Br)C(O)=O Amb18303282 [0,1,0,0,0,1|1,0,1]=4 3448 B9R0.7 CC(NCC(C)N)C(O)=O Amb24599775 [0,1,0,0,0,1|1,0,1]=4 3449 B9R0.7 CC(NCC(O)=O)C(C)N Amb24637505 [0,1,0,0,0,1|1,0,1]=4 3450 B9R0.7 CC(O)C(=O)CCC(O)=O Amb25825263 [0,1,0,0,0,1|0,0,2]=4 3451 B9R0.7 CC(O)C(C)OCC(O)=O Amb25185257 [0,1,0,0,0,1|0,0,2]=4 3452 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,1,0,0,0,1|0,0,2]=4 3453 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,1,0,0,0,1|0,0,2]=4 3454 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,1,0,0,0,1|0,0,2]=4 3455 B9R0.7 CC(O)CCC(F)C(C)=O Amb25093785 [0,1,0,0,0,1|1,0,1]=4 3456 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,1,0,0,0,1|0,0,2]=4 3457 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,1,0,0,0,1|0,0,2]=4 3458 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,1,0,0,0,1|0,0,2]=4 3459 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,1,0,0,0,1|0,0,2]=4 3460 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,1,0,0,0,1|0,0,2]=4 3461 B9R0.7 CC(OCC(C)F)C(O)=O Amb25350495 [0,1,0,0,0,1|1,0,1]=4 3462 B9R0.7 CC(OCC(N)=O)C(N)=O Amb25727276 [0,1,0,0,0,1|2,0,0]=4 3463 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,1,0,0,0,1|1,0,0]=3 3464 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,1,0,0,0,1|1,0,0]=3 3465 B9R0.7 CC(SCC(=C)Br)C(O)=O Amb19005210 [0,1,0,0,0,1|1,0,1]=4 3466 B9R0.7 CC(SCC(C)N)C(O)=O Amb25224815 [0,1,0,0,0,1|1,0,1]=4 3467 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,1,0,0,0,1|1,0,1]=4 3468 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,0,1|1,0,1]=4 3469 B9R0.7 CN(C(=O)CCC(=O)O)C Amb1135807 [0,1,0,0,0,1|2,0,0]=4 3470 B9R0.7 CN(C)CC[C@H](N)C(O)=O Amb25108550 [0,1,0,0,0,1|2,0,0]=4 3471 B9R0.7 CN(C)NCC(O)C(O)=O Amb24683018 [0,1,0,0,0,1|2,0,0]=4 3472 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,1,0,0,0,1|1,0,0]=3 3473 B9R0.7 CN(CCC(O)=O)C([S-])=S Amb24486141 [0,1,0,0,0,1|1,1,0]=4 3474 B9R0.7 CN(CCC(O)=O)[N+]([O-])=O Amb23481534 [0,1,0,0,0,1|2,0,0]=4 3475 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,1,0,0,0,1|1,0,0]=3 3476 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,1,0,0,0,1|1,0,0]=3 3477 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,1,0,0,0,1|1,0,1]=4 3478 B9R0.7 CS(=N)CCC(N)C(O)=O Amb25243030 [0,1,0,0,0,1|2,0,0]=4 3479 B9R0.7 CS(=N)CC[C@H](N)C(O)=O Amb25100927 [0,1,0,0,0,1|2,0,0]=4 3480 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,1,0,0,0,1|1,0,0]=3 3481 B9R0.7 CS(=O)NCC(O)C(N)=O Amb24738313 [0,1,0,0,0,1|2,0,0]=4 3482 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,1,0,0,0,1|1,0,0]=3 3483 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,1,0,0,0,1|1,0,0]=3 3484 B9R0.7 CS(C)CCC(N)C(O)=O Amb25695887 [0,1,0,0,0,1|2,0,0]=4 3485 B9R0.7 CS(C)CC[C@H](N)C(O)=O Amb24440849 [0,1,0,0,0,1|2,0,0]=4 3486 B9R0.7 C[C@@H](CCC(C)=O)[C@@H](C)O Amb22747043 [0,1,0,0,0,1|1,0,1]=4 3487 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,0,1|1,0,0]=3 3488 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,1,0,0,0,1|2,0,0]=4 3489 B9R0.7 C[C@@H](F)[C@H](N)CCC(O)=O Amb25042508 [0,1,0,0,0,1|1,0,1]=4 3490 B9R0.7 C[C@@H](NCC(=C)Br)C(O)=O Amb24441867 [0,1,0,0,0,1|1,0,1]=4 3491 B9R0.7 C[C@@H](NCC(=C)Cl)C(O)=O Amb25085078 [0,1,0,0,0,1|1,0,1]=4 3492 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,1,0,0,0,1|1,0,0]=3 3493 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,1,0,0,0,1|1,0,0]=3 3494 B9R0.7 C[C@@H](O)[C@H](C)SCC(O)=O Amb25774489 [0,1,0,0,0,1|0,0,2]=4 3495 B9R0.7 C[C@@H](OCC(=C)Br)C(O)=O Amb25061755 [0,1,0,0,0,1|1,0,1]=4 3496 B9R0.7 C[C@@H](OCC(=C)Cl)C(O)=O Amb25146946 [0,1,0,0,0,1|1,0,1]=4 3497 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,1,0,0,0,1|1,0,0]=3 3498 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,0,1|1,0,0]=3 3499 B9R0.7 C[C@H](N)C(=O)CCC(O)=O Amb25851449 [0,1,0,0,0,1|1,0,1]=4 3500 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,1,0,0,0,1|1,0,1]=4 3501 B9R0.7 C[C@H](NCC(=C)Cl)C(O)=O Amb25135747 [0,1,0,0,0,1|1,0,1]=4 3502 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,1,0,0,0,1|1,0,0]=3 3503 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,1,0,0,0,1|1,0,0]=3 3504 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,1,0,0,0,1|0,0,2]=4 3505 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,1,0,0,0,1|0,0,2]=4 3506 B9R0.7 C[C@H](OCC(=C)Br)C(O)=O Amb24471685 [0,1,0,0,0,1|1,0,1]=4 3507 B9R0.7 C[C@H](OCC(=C)Cl)C(O)=O Amb25146948 [0,1,0,0,0,1|1,0,1]=4 3508 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,1,0,0,0,1|1,0,0]=3 3509 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800534 [0,1,0,0,0,1|2,0,0]=4 3510 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800551 [0,1,0,0,0,1|2,0,0]=4 3511 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,1,0,0,0,1|1,0,0]=3 3512 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,1,0,0,0,1|1,0,0]=3 3513 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,1,0,0,0,1|1,0,0]=3 3514 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,1,0,0,0,1|1,0,0]=3 3515 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,1,0,0,0,1|1,0,0]=3 3516 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,1,0,0,0,1|2,0,0]=4 3517 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,1,0,0,0,1|2,0,0]=4 3518 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,1,0,0,0,1|2,0,0]=4 3519 B9R0.7 NC(=N)SCC(Br)C(O)=O Amb24648298 [0,1,0,0,0,1|2,0,0]=4 3520 B9R0.7 NC(=N)SCC(Cl)C(O)=O Amb25258351 [0,1,0,0,0,1|2,0,0]=4 3521 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,1,0,0,0,1|1,0,0]=3 3522 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,1,0,0,0,1|1,0,0]=3 3523 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,1,0,0,0,1|1,0,0]=3 3524 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,1,0,0,0,1|1,0,0]=3 3525 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,1,0,0,0,1|1,0,0]=3 3526 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,0,1|2,0,0]=4 3527 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,1,0,0,0,1|1,0,0]=3 3528 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,0,1|2,0,0]=4 3529 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,1,0,0,0,1|2,0,0]=4 3530 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,1,0,0,0,1|1,0,0]=3 3531 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,1,0,0,0,1|1,0,0]=3 3532 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,1,0,0,0,1|1,0,0]=3 3533 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,1,0,0,0,1|1,0,0]=3 3534 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,1,0,0,0,1|1,0,0]=3 3535 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,1,0,0,0,1|1,0,0]=3 3536 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,1,0,0,0,1|1,0,0]=3 3537 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,1,0,0,0,1|1,0,0]=3 3538 B9R0.7 NC(=O)[C@@H](N)CNC(N)=O Amb25147441 [0,1,0,0,0,1|2,0,0]=4 3539 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,1,0,0,0,1|1,0,0]=3 3540 B9R0.7 NC(=O)[C@H](N)CNC(N)=O Amb24548243 [0,1,0,0,0,1|2,0,0]=4 3541 B9R0.7 NC(=S)CSC(C(=O)O)C Amb17503393 [0,1,0,0,0,1|1,1,0]=4 3542 B9R0.7 NC(=[NH2+])SCC(Cl)C(O)=O Amb22054310 [0,1,0,0,0,1|2,0,0]=4 3543 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,1,0,0,0,1|1,0,0]=3 3544 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,1,0,0,0,1|2,0,0]=4 3545 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,1,0,0,0,1|1,0,0]=3 3546 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,0,1|1,0,0]=3 3547 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,0,1|1,0,0]=3 3548 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,1,0,0,0,1|2,0,0]=4 3549 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,0,1|1,0,0]=3 3550 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,1,0,0,0,1|1,0,1]=4 3551 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,1,0,0,0,1|1,0,1]=4 3552 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,1,0,0,0,1|2,0,0]=4 3553 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,1,0,0,0,1|2,0,0]=4 3554 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,0,1|1,0,0]=3 3555 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,1,0,0,0,1|2,0,0]=4 3556 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,1,0,0,0,1|1,0,0]=3 3557 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,1,0,0,0,1|1,0,0]=3 3558 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,1,0,0,0,1|2,0,0]=4 3559 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,1,0,0,0,1|2,0,0]=4 3560 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,1,0,0,0,1|1,0,0]=3 3561 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,1,0,0,0,1|2,0,0]=4 3562 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,1,0,0,0,1|1,0,0]=3 3563 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,1,0,0,0,1|1,0,0]=3 3564 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,0,1|1,0,0]=3 3565 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,1,0,0,0,1|1,0,1]=4 3566 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,1,0,0,0,1|1,0,0]=3 3567 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,1,0,0,0,1|1,0,0]=3 3568 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,1,0,0,0,1|1,0,0]=3 3569 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,1,0,0,0,1|1,0,0]=3 3570 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,1,0,0,0,1|1,0,1]=4 3571 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,1,0,0,0,1|2,0,0]=4 3572 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,1,0,0,0,1|2,0,0]=4 3573 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,1,0,0,0,1|2,0,0]=4 3574 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,0,1|1,0,0]=3 3575 B9R0.7 N[C@H](C(=O)O)CCC(C)C Amb16183866 [0,1,0,0,0,1|1,0,1]=4 3576 B9R0.7 N[C@H](C(=O)O)CC[S+](C)C Amb10601599 [0,1,0,0,0,1|2,0,0]=4 3577 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,1,0,0,0,1|2,0,0]=4 3578 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,1,0,0,0,1|2,0,0]=4 3579 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,1,0,0,0,1|1,0,1]=4 3580 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,1,0,0,0,1|1,0,0]=3 3581 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,1,0,0,0,1|1,0,0]=3 3582 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|1,0,0]=3 3583 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,1,0,0,0,1|1,0,0]=3 3584 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,1,0,0,0,1|1,0,0]=3 3585 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,1,0,0,0,1|1,0,0]=3 3586 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,1,0,0,0,1|1,0,0]=3 3587 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,1,0,0,0,1|1,0,0]=3 3588 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,0,1|1,0,0]=3 3589 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,0,1|1,0,0]=3 3590 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,0,1|1,0,0]=3 3591 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,0,1|1,0,0]=3 3592 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,0,1|1,0,0]=3 3593 B9R0.7 OC(=O)CNC(=O)C(=C)C Amb16232088 [0,1,0,0,0,1|1,0,1]=4 3594 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,1,0,0,0,1|0,0,1]=3 3595 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|1,0,1]=4 3596 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,1,0,0,0,1|1,0,0]=3 3597 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,1,0,0,0,1|1,0,1]=4 3598 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,1,0,0,0,1|1,0,1]=4 3599 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,1,0,0,0,1|1,0,0]=3 3600 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,1,0,0,0,1|1,0,0]=3 3601 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,0,1|1,0,0]=3 3602 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,0,1|1,0,0]=3 3603 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,1,0,0,0,1|1,0,0]=3 3604 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,1,0,0,0,1|1,0,0]=3 3605 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] Amb10072211 [0,1,0,0,0,1|1,0,1]=4 3606 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,1,0,0,0,1|1,0,0]=3 3607 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,1,0,0,0,1|1,0,1]=4 3608 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,1,0,0,0,1|1,0,1]=4 3609 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,1,0,0,0,1|1,0,1]=4 3610 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,1,0,0,0,1|2,0,0]=4 3611 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,1,0,0,0,1|1,0,0]=3 3612 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [0,1,0,0,0,1|1,0,0]=3 3613 B9R0.53 CC(=C)CN(C)CC(N)=O Amb24721334 [0,1,0,0,0,1|2,0,0]=4 3614 B9R0.53 CC(=N)NC(C)CC(N)=O Amb24444187 [0,1,0,0,0,1|2,0,0]=4 3615 B9R0.53 CC(=O)C=C(C)CC(C)=O Amb24740174 [0,1,0,0,0,1|1,0,1]=4 3616 B9R0.53 CC(=O)C=C(O)CC(C)=O Amb24609551 [0,1,0,0,0,1|1,0,1]=4 3617 B9R0.53 CC(=O)CC(=O)C=C(C)O Amb24647936 [0,1,0,0,0,1|1,0,1]=4 3618 B9R0.53 CC(=O)CC(=O)CC(=O)Cl Amb24662270 [0,1,0,0,0,1|1,0,0]=3 3619 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,1,0,0,0,1|0,0,0]=2 3620 B9R0.53 CC(=O)CC(=O)NC(=O)C Amb2410281 [0,1,0,0,0,1|1,0,1]=4 3621 B9R0.53 CC(=O)CC(=O)NC(=O)N Amb17593618 [0,1,0,0,0,1|1,0,1]=4 3622 B9R0.53 CC(=O)CC(=O)\C=C(\C)/O Amb25146890 [0,1,0,0,0,1|1,0,1]=4 3623 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [0,1,0,0,0,1|0,0,0]=2 3624 B9R0.53 CC(=O)CS(=O)CC(N)=O Amb24716709 [0,1,0,0,0,1|1,0,0]=3 3625 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [0,1,0,0,0,1|0,0,0]=2 3626 B9R0.53 CC(=O)C[C@H](O)CC(C)=C Amb25318972 [0,1,0,0,0,1|2,0,0]=4 3627 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [0,1,0,0,0,1|0,0,1]=3 3628 B9R0.53 CC(=O)NC(=O)CC(O)=O Amb24671240 [0,1,0,0,0,1|0,0,1]=3 3629 B9R0.53 CC(=O)NC(C)CC(C)=O Amb24096345 [0,1,0,0,0,1|1,0,0]=3 3630 B9R0.53 CC(=O)NC(C)CC(N)=S Amb18800429 [0,1,0,0,0,1|1,1,0]=4 3631 B9R0.53 CC(=O)NC(Cl)NC(C)=O Amb25783992 [0,1,0,0,0,1|2,0,0]=4 3632 B9R0.53 CC(=O)NN(C)CC(O)=O Amb24430379 [0,1,0,0,0,1|1,0,0]=3 3633 B9R0.53 CC(=O)N[C@H](C)CC(C)=O Amb24478882 [0,1,0,0,0,1|1,0,0]=3 3634 B9R0.53 CC(=O)OC(C)CC(C)=O Amb25690313 [0,1,0,0,0,1|1,0,0]=3 3635 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [0,1,0,0,0,1|0,0,0]=2 3636 B9R0.53 CC(=O)OC(C)NC(C)=O Amb25090413 [0,1,0,0,0,1|2,0,0]=4 3637 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [0,1,0,0,0,1|0,0,0]=2 3638 B9R0.53 CC(=O)\C=C(/C)\CC(C)=O Amb24647875 [0,1,0,0,0,1|1,0,1]=4 3639 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [0,1,0,0,0,1|0,0,1]=3 3640 B9R0.53 CC(=O)\C=C(\C)/CC(C)=O Amb25719264 [0,1,0,0,0,1|1,0,1]=4 3641 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [0,1,0,0,0,1|0,0,1]=3 3642 B9R0.53 CC(=S)NC(C)CC(C)=O Amb25329355 [0,1,0,0,0,1|1,1,0]=4 3643 B9R0.53 CC(C)=CC(=C)CC(O)=O Amb25799390 [0,1,0,0,0,1|1,0,1]=4 3644 B9R0.53 CC(C)=CC(C)CC(C)=O Amb25093185 [0,1,0,0,0,1|2,0,0]=4 3645 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [0,1,0,0,0,1|1,0,0]=3 3646 B9R0.53 CC(C)=CC(N)CC(N)=O Amb25805588 [0,1,0,0,0,1|2,0,0]=4 3647 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [0,1,0,0,0,1|1,0,0]=3 3648 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [0,1,0,0,0,1|1,0,0]=3 3649 B9R0.53 CC(C)CC(=C)CC(O)=O Amb18643897 [0,1,0,0,0,1|1,0,1]=4 3650 B9R0.53 CC(C)CS(=O)CC(O)=O Amb18792576 [0,1,0,0,0,1|1,0,1]=4 3651 B9R0.53 CC(C)C[C@@H](C)CC(O)=O Amb24455134 [0,1,0,0,0,1|1,0,1]=4 3652 B9R0.53 CC(C)C[C@H](N)CC(O)=O Amb19944305 [0,1,0,0,0,1|1,0,1]=4 3653 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [0,1,0,0,0,1|1,0,1]=4 3654 B9R0.53 CC(C)O[C@H](C)CC(O)=O Amb24463494 [0,1,0,0,0,1|1,0,1]=4 3655 B9R0.53 CC(C)SC(C)CC(O)=O Amb18303284 [0,1,0,0,0,1|1,0,1]=4 3656 B9R0.53 CC(CC(C)O)NC(C)=O Amb25211368 [0,1,0,0,0,1|1,0,1]=4 3657 B9R0.53 CC(CC(CC(=O)O)N)C Amb2438867 [0,1,0,0,0,1|1,0,1]=4 3658 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [0,1,0,0,0,1|1,0,1]=4 3659 B9R0.53 CC(CC(N)=O)NC(N)=O Amb25365692 [0,1,0,0,0,1|2,0,0]=4 3660 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,1,0,0,0,1|1,0,1]=4 3661 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [0,1,0,0,0,1|1,0,0]=3 3662 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [0,1,0,0,0,1|2,0,0]=4 3663 B9R0.53 CC(CC(O)=O)NC(N)=N Amb25696242 [0,1,0,0,0,1|2,0,0]=4 3664 B9R0.53 CC(CC(O)=O)NS(C)=O Amb25347318 [0,1,0,0,0,1|1,0,0]=3 3665 B9R0.53 CC(CC(O)=O)SC(N)=N Amb24429158 [0,1,0,0,0,1|2,0,0]=4 3666 B9R0.53 CC(CC(O)=O)SC(N)=S Amb24391550 [0,1,0,0,0,1|1,1,0]=4 3667 B9R0.53 CC(C[C@@H](CC(=O)O)C)C Amb10844383 [0,1,0,0,0,1|1,0,1]=4 3668 B9R0.53 CC(C[C@@H](CC(=O)O)N)C Amb16184017 [0,1,0,0,0,1|1,0,1]=4 3669 B9R0.53 CC(N)CN(C)CC(O)=O Amb25140627 [0,1,0,0,0,1|1,0,1]=4 3670 B9R0.53 CC(O)CN(C)CC(C)=O Amb24441836 [0,1,0,0,0,1|1,0,1]=4 3671 B9R0.53 CC(O)CN(C)CC(O)=O Amb18312778 [0,1,0,0,0,1|0,0,2]=4 3672 B9R0.53 CN(C)CC(N)CC(O)=O Amb18644281 [0,1,0,0,0,1|2,0,0]=4 3673 B9R0.53 CN(C)C[C@@H](O)CC(O)=O Amb25084529 [0,1,0,0,0,1|2,0,0]=4 3674 B9R0.53 CN(CC(=O)C)CC(=O)C Amb10604213 [0,1,0,0,0,1|1,0,0]=3 3675 B9R0.53 CN(CC(=O)Cl)CC(=O)Cl Amb24564588 [0,1,0,0,0,1|2,0,0]=4 3676 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|1,0,0]=3 3677 B9R0.53 CN(CC(=O)S)CC(N)=O Amb25095881 [0,1,0,0,0,1|1,1,0]=4 3678 B9R0.53 CN(CC(O)=O)CC(=C)Br Amb19015553 [0,1,0,0,0,1|1,0,1]=4 3679 B9R0.53 CN(C[C@@H](CC(=O)O)O)C Amb10069803 [0,1,0,0,0,1|2,0,0]=4 3680 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [0,1,0,0,0,1|1,0,1]=4 3681 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [0,1,0,0,0,1|1,0,0]=3 3682 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [0,1,0,0,0,1|1,0,0]=3 3683 B9R0.53 C[C@@H](C[C@@H](C)O)OC(C)=O Amb25722158 [0,1,0,0,0,1|1,0,1]=4 3684 B9R0.53 C[C@H](C[C@@H](C)O)NC(C)=O Amb24597644 [0,1,0,0,0,1|1,0,1]=4 3685 B9R0.53 C[C@H](C[C@@H](C)O)OC(C)=O Amb24386965 [0,1,0,0,0,1|1,0,1]=4 3686 B9R0.53 C[C@H](C[C@H](C)O)OC(C)=O Amb24474272 [0,1,0,0,0,1|1,0,1]=4 3687 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O Amb24418565 [0,1,0,0,0,1|1,0,1]=4 3688 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,1,0,0,0,1|1,0,0]=3 3689 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [0,1,0,0,0,1|1,0,0]=3 3690 B9R0.53 NC(=O)CS(=O)CC(N)=O Amb24740763 [0,1,0,0,0,1|2,0,0]=4 3691 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [0,1,0,0,0,1|1,0,0]=3 3692 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|1,0,0]=3 3693 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,1,0,0,0,1|1,0,1]=4 3694 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,1,0,0,0,1|1,0,0]=3 3695 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,1,0,0,0,1|1,0,0]=3 3696 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,1,0,0,0,1|1,0,0]=3 3697 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [0,1,0,0,0,1|0,0,0]=2 3698 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [0,1,0,0,0,1|0,0,0]=2 3699 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,1,0,0,0,1|1,0,1]=4 3700 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,1,0,0,0,1|1,0,0]=3 3701 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,1,0,0,0,1|1,0,0]=3 3702 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,1,0,0,0,1|1,0,0]=3 3703 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,1,0,0,0,1|1,0,0]=3 3704 B9R0.56 CC(=C)CCOP(N)(O)=O Amb24714926 [0,1,0,0,0,1|2,0,0]=4 3705 B9R0.56 CC(=O)CCCC(O)(C)C Amb17593627 [0,1,0,0,0,1|1,0,1]=4 3706 B9R0.56 CC(=O)CCCS(=O)(=O)F Amb25706977 [0,1,0,0,0,1|1,0,1]=4 3707 B9R0.56 CC(=O)CCCS(C)(=O)=O Amb18180080 [0,1,0,0,0,1|1,0,1]=4 3708 B9R0.56 CC(=O)CCNS(=O)(=O)C Amb17102926 [0,1,0,0,0,1|1,0,1]=4 3709 B9R0.56 CC(=O)NCCS(=O)(=O)C Amb16971455 [0,1,0,0,0,1|1,0,1]=4 3710 B9R0.56 CC(=O)NCCS(N)(=O)=O Amb18792763 [0,1,0,0,0,1|1,0,1]=4 3711 B9R0.56 CC(=O)OCCS(=O)(=O)Cl Amb18062586 [0,1,0,0,0,1|1,0,1]=4 3712 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] Amb17607672 [0,1,0,0,0,1|1,0,1]=4 3713 B9R0.56 CC(=O)SCCS(C)(=O)=O Amb24368886 [0,1,0,0,0,1|1,0,1]=4 3714 B9R0.56 CC(=O)SCCS(O)(=O)=O Amb21857874 [0,1,0,0,0,1|1,0,0]=3 3715 B9R0.56 CC(C)(C)CCCC(O)=O Amb18307485 [0,1,0,0,0,1|1,0,1]=4 3716 B9R0.56 CC(C)(C)CNCC(O)=O Amb19012829 [0,1,0,0,0,1|1,0,1]=4 3717 B9R0.56 CC(C)(C)COCC(O)=O Amb25079059 [0,1,0,0,0,1|1,0,1]=4 3718 B9R0.56 CC(C)(F)CCCC(O)=O Amb25270576 [0,1,0,0,0,1|1,0,1]=4 3719 B9R0.56 CC(C)(F)COCC(O)=O Amb25234238 [0,1,0,0,0,1|1,0,1]=4 3720 B9R0.56 CC(C)(F)CSCC(O)=O Amb24596449 [0,1,0,0,0,1|1,0,1]=4 3721 B9R0.56 CC(C)(N)CCCC(O)=O Amb25839402 [0,1,0,0,0,1|1,0,1]=4 3722 B9R0.56 CC(C)(N)CNCC(O)=O Amb24415937 [0,1,0,0,0,1|1,0,1]=4 3723 B9R0.56 CC(C)(N)COCC(O)=O Amb18630788 [0,1,0,0,0,1|1,0,1]=4 3724 B9R0.56 CC(C)(N)CSCC(O)=O Amb25831613 [0,1,0,0,0,1|1,0,1]=4 3725 B9R0.56 CC(C)(O)CCCC(O)=O Amb24340189 [0,1,0,0,0,1|0,0,2]=4 3726 B9R0.56 CC(C)(O)CNCC(O)=O Amb18304065 [0,1,0,0,0,1|0,0,2]=4 3727 B9R0.56 CC(C)(O)CSCC(O)=O Amb18307056 [0,1,0,0,0,1|0,0,2]=4 3728 B9R0.56 CC(C)=CCCP(O)(O)=O Amb25048391 [0,1,0,0,0,1|2,0,0]=4 3729 B9R0.56 CN(C)(C)CCCC(O)=O Amb22732541 [0,1,0,0,0,1|2,0,0]=4 3730 B9R0.56 CP(C)(=O)CNCC(O)=O Amb25339632 [0,1,0,0,0,1|1,0,0]=3 3731 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [0,1,0,0,0,1|1,0,0]=3 3732 B9R0.56 CP(O)(=O)CNCC(O)=O Amb25772534 [0,1,0,0,0,1|1,0,0]=3 3733 B9R0.56 CS(=O)(=O)CCCC(N)=O Amb18409109 [0,1,0,0,0,1|2,0,0]=4 3734 B9R0.56 CS(=O)(=O)CCNC(N)=O Amb18792761 [0,1,0,0,0,1|2,0,0]=4 3735 B9R0.56 CS(=O)(=O)CCOC(=O)Cl Amb22002153 [0,1,0,0,0,1|2,0,0]=4 3736 B9R0.56 CS(=O)(=O)OCCC(O)=O Amb25288145 [0,1,0,0,0,1|1,0,0]=3 3737 B9R0.56 C[N+](C)(C)NCCC(O)=O Amb22395996 [0,1,0,0,0,1|2,0,0]=4 3738 B9R0.56 C[Si](C)(C)CNCC(O)=O Amb24711223 [0,1,0,0,0,1|1,1,0]=4 3739 B9R0.56 C[Si](C)(C)CSCC(O)=O Amb25321941 [0,1,0,0,0,1|1,1,0]=4 3740 B9R0.56 C[Si](C)(C)NCCC(O)=O Amb24433951 [0,1,0,0,0,1|1,1,0]=4 3741 B9R0.56 NC(=O)CCNS(=O)(=O)C Amb17232584 [0,1,0,0,0,1|2,0,0]=4 3742 B9R0.56 NC(=O)CCOP(O)(O)=O Amb25808331 [0,1,0,0,0,1|2,0,0]=4 3743 B9R0.56 NC(=O)CCSS(=O)(=O)C Amb10069995 [0,1,0,0,0,1|2,0,0]=4 3744 B9R0.56 NC(=O)NCCS(O)(=O)=O Amb24710318 [0,1,0,0,0,1|2,0,0]=4 3745 B9R0.56 OC(=O)CCCC(F)(F)C Amb17593778 [0,1,0,0,0,1|1,0,1]=4 3746 B9R0.56 OC(=O)CCCP(O)(O)=O Amb17671941 [0,1,0,0,0,1|2,0,0]=4 3747 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [0,1,0,0,0,1|1,0,0]=3 3748 B9R0.56 OC(=O)CCNC(C)(C)C Amb1106324 [0,1,0,0,0,1|1,0,1]=4 3749 B9R0.56 OC(=O)CCNS(=O)(=O)C Amb1116751 [0,1,0,0,0,1|1,0,0]=3 3750 B9R0.56 OC(=O)CCNS(O)(=O)=O Amb24479473 [0,1,0,0,0,1|2,0,0]=4 3751 B9R0.56 OC(=O)CCOP(O)(O)=O Amb24482464 [0,1,0,0,0,1|2,0,0]=4 3752 B9R0.56 OC(=O)CCOS(O)(=O)=O Amb24482181 [0,1,0,0,0,1|2,0,0]=4 3753 B9R0.56 OC(=O)CCSP(O)(O)=O Amb24482326 [0,1,0,0,0,1|2,0,0]=4 3754 B9R0.56 OC(=O)CCSS(=O)(=O)C Amb10071647 [0,1,0,0,0,1|1,0,0]=3 3755 B9R0.56 OC(=O)CNCP(O)(=O)=O Amb25282213 [0,1,0,0,0,1|2,0,0]=4 3756 B9R0.56 OC(=O)CNCP(O)(O)=O Amb21618824 [0,1,0,0,0,1|2,0,0]=4 3757 B9R0.56 OC(=O)CN[13CH2]P(O)(O)=O Amb22367405 [0,1,0,0,0,1|2,0,0]=4 3758 B9R0.56 OP(O)(=O)CNCC(=O)Cl Amb24461359 [0,1,0,0,0,1|2,0,0]=4 3759 B9R0.56 O[13C](=O)[13CH2][15NH]CP(=O)(O)O Amb17614840 [0,1,0,0,0,1|2,0,0]=4 3760 B9R0.56 [O-]C(=O)CNCP(O)(O)=O Amb22731628 [0,1,0,0,0,1|2,0,0]=4 3761 B9R0.56 [O-]P(O)(=O)CSCC(O)=O Amb22453470 [0,1,0,0,0,1|2,0,0]=4 3762 B9R0.21 CC(CCS(C)(=O)=O)=NO Amb25771498 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.21 CC(F)(F)CCC(=O)NO Amb24673183 [0,2,0,0,0,0|1,0,1]=4 3764 B9R0.21 CCC(=O)CCS(C)(=O)=O Amb18798350 [0,2,0,0,0,0|1,0,1]=4 3765 B9R0.21 CCC(=O)CCS(N)(=O)=O Amb25347488 [0,2,0,0,0,0|1,0,1]=4 3766 B9R0.21 CNC(=O)CCS(=O)(=O)Cl Amb25253035 [0,2,0,0,0,0|1,0,1]=4 3767 B9R0.21 CNC(=O)CCS(C)(=O)=O Amb25757841 [0,2,0,0,0,0|1,0,1]=4 3768 B9R0.21 COC(=O)CCC(C)(C)N Amb19415866 [0,2,0,0,0,0|1,0,1]=4 3769 B9R0.21 COC(=O)CCC(C)(C)N Amb24383846 [0,2,0,0,0,0|1,0,1]=4 3770 B9R0.21 COC(=O)CCC(C)(C)O Amb25687794 [0,2,0,0,0,0|0,0,2]=4 3771 B9R0.21 COC(=O)CCP(O)(O)=O Amb22388887 [0,2,0,0,0,0|1,0,0]=3 3772 B9R0.21 COC(=O)CCS(=O)(=O)F Amb25830336 [0,2,0,0,0,0|1,0,1]=4 3773 B9R0.21 COC(=O)CCS(=O)(=O)N Amb1131761 [0,2,0,0,0,0|1,0,1]=4 3774 B9R0.21 COC(=O)CCS(=O)(=O)O Amb17400246 [0,2,0,0,0,0|1,0,0]=3 3775 B9R0.21 COC(=O)CCS(C)(=O)=O Amb18177820 [0,2,0,0,0,0|1,0,0]=3 3776 B9R0.21 COC(=O)CC[Si](C)(C)C Amb25681301 [0,2,0,0,0,0|1,1,0]=4 3777 B9R0.21 COC(=O)CC[Si](C)(Cl)Cl Amb19893679 [0,2,0,0,0,0|1,1,0]=4 3778 B9R0.21 CP(O)(=O)CCC(=O)C#N Amb25320297 [0,2,0,0,0,0|1,0,1]=4 3779 B9R0.21 CS(=O)(=O)CCC(O)C=O Amb24388633 [0,2,0,0,0,0|1,0,1]=4 3780 B9R0.21 CS(=O)(=O)CC\C(\N)=N\O Amb18792762 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.21 NCC(=O)CCP(O)(O)=O Amb24625936 [0,2,0,0,0,0|1,0,0]=3 3782 B9R0.21 NCC(=O)NCP(O)(O)=O Amb24482240 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.21 OCC(=O)CNP(O)(O)=O Amb25273075 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.21 OCC(=O)OCP(O)(O)=O Amb24749476 [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.21 OP(O)(=O)OCC(=O)CCl Amb24482271 [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.23 CC(=C)CC(C)C(=O)CC Amb25690530 [0,2,0,0,0,0|2,0,0]=4 3787 B9R0.23 CC(=C)CC(C)C(=O)NO Amb24751825 [0,2,0,0,0,0|1,0,0]=3 3788 B9R0.23 CC(=C)CC(O)C(=O)OC Amb24464009 [0,2,0,0,0,0|1,0,0]=3 3789 B9R0.23 CC(=C)CN(C)C(=O)CO Amb25136393 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.23 CC(=C)CN(C)C(=O)OC Amb24481036 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.23 CC(=C)C[C@H](N)C(=O)NN Amb24501396 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.23 CC(=C)C[C@H](N)C(=O)OC Amb25200054 [0,2,0,0,0,0|1,0,0]=3 3793 B9R0.23 CC(=CC(O)=O)C(=O)CC Amb24680912 [0,2,0,0,0,0|0,0,2]=4 3794 B9R0.23 CC(=CC(O)=O)C(=O)OC Amb24362654 [0,2,0,0,0,0|0,0,2]=4 3795 B9R0.23 CC(=CN)C(N)CC(N)=O Amb24563482 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.23 CC(=O)C=C(N)C(=O)OC Amb25275426 [0,2,0,0,0,0|0,0,2]=4 3797 B9R0.23 CC(=O)CC(=C)C(=O)OC Amb25146670 [0,2,0,0,0,0|0,0,1]=3 3798 B9R0.23 CC(=O)CC(N)C(=O)OC Amb25367296 [0,2,0,0,0,0|0,0,0]=2 3799 B9R0.23 CC(=O)CC(O)C(=O)CC Amb25767775 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.23 CC(=O)CC(O)C(O)CO Amb24737444 [0,2,0,0,0,0|0,0,2]=4 3801 B9R0.23 CC(=O)C[C@@H](O)C(=O)OC Amb24408458 [0,2,0,0,0,0|0,0,0]=2 3802 B9R0.23 CC(=O)C[C@@H](O)[C@@H](O)CO Amb25767917 [0,2,0,0,0,0|0,0,2]=4 3803 B9R0.23 CC(=O)C[C@H](O)C(=O)OC Amb25146504 [0,2,0,0,0,0|0,0,0]=2 3804 B9R0.23 CC(=O)NC(=O)C(=O)OC Amb25698377 [0,2,0,0,0,0|1,0,1]=4 3805 B9R0.23 CC(=O)NC(Br)C(=O)OC Amb24434913 [0,2,0,0,0,0|1,0,0]=3 3806 B9R0.23 CC(=O)NC(C)C(=O)CBr Amb24465214 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.23 CC(=O)NC(C)C(=O)CCl Amb25695669 [0,2,0,0,0,0|2,0,0]=4 3808 B9R0.23 CC(=O)NC(C)C(=O)OC Amb24650565 [0,2,0,0,0,0|1,0,0]=3 3809 B9R0.23 CC(=O)NC(C)C(=O)SC Amb25195768 [0,2,0,0,0,0|1,1,0]=4 3810 B9R0.23 CC(=O)NC(O)C(=O)OC Amb25147262 [0,2,0,0,0,0|1,0,0]=3 3811 B9R0.23 CC(=O)NN(C)C(=O)OC Amb25169388 [0,2,0,0,0,0|2,0,0]=4 3812 B9R0.23 CC(=O)N[C@@H](C)C(=O)NC Amb22800074 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.23 CC(=O)N[C@@H](C)C(=O)NN Amb24445106 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.23 CC(=O)N[C@H](C)C(=O)NN Amb24680992 [0,2,0,0,0,0|2,0,0]=4 3815 B9R0.23 CC(=O)OC(C)C(=C)C=O Amb25324145 [0,2,0,0,0,0|2,0,0]=4 3816 B9R0.23 CC(=O)OC(C)C(=O)C#N Amb25059657 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.23 CC(=O)OC(C)C(=O)C=C Amb24456772 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.23 CC(=O)OC(C)C(=O)CBr Amb25062459 [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.23 CC(=O)OC(C)C(=O)CCl Amb25232018 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.23 CC(=O)OC(C)C(=O)OC Amb24719402 [0,2,0,0,0,0|1,0,0]=3 3821 B9R0.23 CC(=O)O[C@@H](C)C(=O)C#N Amb25146510 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.23 CC(=O)O[C@@H](C)C(=O)OC Amb24397827 [0,2,0,0,0,0|1,0,0]=3 3823 B9R0.23 CC(=O)\C=C(/N)\C(=O)OC Amb24411031 [0,2,0,0,0,0|0,0,2]=4 3824 B9R0.23 CC(=O)\C=C(\C)/C(=O)OC Amb25146692 [0,2,0,0,0,0|0,0,2]=4 3825 B9R0.23 CC(C(=O)NC)CC(=O)N Amb17334220 [0,2,0,0,0,0|1,0,0]=3 3826 B9R0.23 CC(C(CC(=O)O)N)CC Amb2438880 [0,2,0,0,0,0|1,0,1]=4 3827 B9R0.23 CC(C)=CC(O)C(=O)CO Amb24582992 [0,2,0,0,0,0|1,0,1]=4 3828 B9R0.23 CC(C)=CC(O)C(=O)OC Amb24600119 [0,2,0,0,0,0|1,0,1]=4 3829 B9R0.23 CC(C)=C[C@H](O)C(=O)CO Amb24437372 [0,2,0,0,0,0|1,0,1]=4 3830 B9R0.23 CC(C)CC(Br)C(=O)OC Amb22490955 [0,2,0,0,0,0|1,0,1]=4 3831 B9R0.23 CC(C)CC(Cl)C(=O)OC Amb18800856 [0,2,0,0,0,0|1,0,1]=4 3832 B9R0.23 CC(C)CC(F)C(=O)OC Amb24405963 [0,2,0,0,0,0|1,0,1]=4 3833 B9R0.23 CC(C)CC(N)C(=O)OC Amb22489476 [0,2,0,0,0,0|1,0,1]=4 3834 B9R0.23 CC(C)CC(O)C(=O)OC Amb19306745 [0,2,0,0,0,0|1,0,1]=4 3835 B9R0.23 CC(C)C[C@@H](N)C(=O)NO Amb22800473 [0,2,0,0,0,0|1,0,1]=4 3836 B9R0.23 CC(C)C[C@H](Cl)C(=O)OC Amb25101463 [0,2,0,0,0,0|1,0,1]=4 3837 B9R0.23 CC(C)C[C@H](N)C(=O)NO Amb24440728 [0,2,0,0,0,0|1,0,1]=4 3838 B9R0.23 CC(C)C[C@H](O)C(=O)OC Amb25299357 [0,2,0,0,0,0|1,0,1]=4 3839 B9R0.23 CC(C=C)C(C)CC(O)=O Amb18643924 [0,2,0,0,0,0|1,0,1]=4 3840 B9R0.23 CC(CC(C)O)C(=O)OC Amb25781081 [0,2,0,0,0,0|0,0,2]=4 3841 B9R0.23 CC(CC(O)=O)C(=O)CN Amb25072734 [0,2,0,0,0,0|0,0,0]=2 3842 B9R0.23 CC(CC(O)=O)C(N)CC Amb25820735 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.23 CC(CC(O)=O)N(C)C=O Amb24670439 [0,2,0,0,0,0|1,0,0]=3 3844 B9R0.23 CC(CC)C(O)CC(O)=O Amb18310690 [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.23 CC(CC)[C@H](N)CC(O)=O Amb25117039 [0,2,0,0,0,0|1,0,1]=4 3846 B9R0.23 CC(Cl)CC(Cl)C(=O)OC Amb25724873 [0,2,0,0,0,0|1,0,1]=4 3847 B9R0.23 CC(N)CC(O)C(=O)NO Amb25276417 [0,2,0,0,0,0|1,0,1]=4 3848 B9R0.23 CC(N)CC(O)C(=O)OC Amb24587361 [0,2,0,0,0,0|1,0,1]=4 3849 B9R0.23 CC(NC(N)=O)C(=O)NO Amb24705421 [0,2,0,0,0,0|2,0,0]=4 3850 B9R0.23 CC(O)C[C@H](O)C(=O)CO Amb25146805 [0,2,0,0,0,0|0,0,2]=4 3851 B9R0.23 CC(OC)C(C)CC(O)=O Amb18202340 [0,2,0,0,0,0|0,0,2]=4 3852 B9R0.23 CCC(=C)C(N)CC(O)=O Amb25068441 [0,2,0,0,0,0|1,0,0]=3 3853 B9R0.23 CCC(=O)C(C)CC(=C)Cl Amb25059519 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.23 CCC(=O)[C@@H](C)CC(O)=O Amb24504994 [0,2,0,0,0,0|0,0,0]=2 3855 B9R0.23 CCC(=O)[C@H](C)CC(O)=O Amb24426900 [0,2,0,0,0,0|0,0,0]=2 3856 B9R0.23 CCC(C)C(C)CC(O)=O Amb18304200 [0,2,0,0,0,0|1,0,1]=4 3857 B9R0.23 CCC(Cl)C(O)CC(O)=O Amb25111208 [0,2,0,0,0,0|1,0,1]=4 3858 B9R0.23 CCC(O)C(O)CC(O)=O Amb25132101 [0,2,0,0,0,0|0,0,2]=4 3859 B9R0.23 CCN(C)C(C)CC(O)=O Amb22587145 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.23 CCN(O)C(C)CC(O)=O Amb25379050 [0,2,0,0,0,0|1,0,1]=4 3861 B9R0.23 CCS(=O)C(C)CC(C)=O Amb24593680 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.23 CCS(=O)C(C)CC(O)=O Amb19012075 [0,2,0,0,0,0|1,0,0]=3 3863 B9R0.23 CCS(=O)N(C)CC(O)=O Amb24551440 [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.23 CC[C@@H](C)[C@H](C)CC(O)=O Amb24715562 [0,2,0,0,0,0|1,0,1]=4 3865 B9R0.23 CC[C@H](O)[C@H](N)CC(O)=O Amb25204323 [0,2,0,0,0,0|0,0,2]=4 3866 B9R0.23 CN(C(=O)CC)CC(=O)N Amb17231983 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.23 CN(C(=O)CC)CC(=O)O Amb1113094 [0,2,0,0,0,0|1,0,0]=3 3868 B9R0.23 CN(CC(O)=O)C(=O)CCl Amb21956220 [0,2,0,0,0,0|1,0,0]=3 3869 B9R0.23 CN(CC(O)=O)C(=O)CN Amb21929346 [0,2,0,0,0,0|1,0,0]=3 3870 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,0]=3 3871 B9R0.23 CN(CC(O)=O)C(=S)OC Amb24514158 [0,2,0,0,0,0|1,1,0]=4 3872 B9R0.23 CNC(=O)C(C)CS(C)=O Amb25712713 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.23 CNC(=O)C(N)CC(=C)Br Amb24600050 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.23 CNC(=O)C(N)CC(=C)Cl Amb24404853 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.23 CNC(=O)C(N)CC(=C)F Amb24600128 [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,2,0,0,0,0|1,0,0]=3 3877 B9R0.23 CNC(=O)C(N)CC(O)=O Amb18862479 [0,2,0,0,0,0|0,0,0]=2 3878 B9R0.23 CNC(=O)N(C)CC(N)=O Amb25733533 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.23 CNC(=O)[C@@H](N)CC(=C)Br Amb25190470 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.23 CNC(=O)[C@@H](N)CC(O)=O Amb25694374 [0,2,0,0,0,0|0,0,0]=2 3881 B9R0.23 CNC(=O)[C@H](C)NC(N)=O Amb25846014 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.23 COC(=O)C(=C)CC(N)=O Amb25757986 [0,2,0,0,0,0|1,0,1]=4 3883 B9R0.23 COC(=O)C(=C)NC(=O)C Amb10807388 [0,2,0,0,0,0|1,0,1]=4 3884 B9R0.23 COC(=O)C(=O)CC(=O)C Amb1155424 [0,2,0,0,0,0|0,0,1]=3 3885 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [0,2,0,0,0,0|1,0,0]=3 3886 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [0,2,0,0,0,0|0,0,0]=2 3887 B9R0.23 COC(=O)C(C)CC(=O)Cl Amb24648102 [0,2,0,0,0,0|1,0,0]=3 3888 B9R0.23 COC(=O)C(C)CC(N)=N Amb25178681 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [0,2,0,0,0,0|0,0,0]=2 3891 B9R0.23 COC(=O)C(C)CS(C)=O Amb18788308 [0,2,0,0,0,0|1,0,0]=3 3892 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,2,0,0,0,0|2,0,0]=4 3893 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [0,2,0,0,0,0|1,0,0]=3 3894 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [0,2,0,0,0,0|1,0,0]=3 3895 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [0,2,0,0,0,0|0,0,0]=2 3896 B9R0.23 COC(=O)C(CC(C)C)N Amb1152419 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.23 COC(=O)C(Cl)OC(=O)Cl Amb25711657 [0,2,0,0,0,0|2,0,0]=4 3898 B9R0.23 COC(=O)C(N)CC(=C)Br Amb24630384 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.23 COC(=O)C(N)CC(=C)Cl Amb18645938 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [0,2,0,0,0,0|0,0,0]=2 3901 B9R0.23 COC(=O)C(N)CN(C)C Amb24715537 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.23 COC(=O)C(O)CN(C)C Amb25212253 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.23 COC(=O)C(O)CN(C)O Amb24713209 [0,2,0,0,0,0|1,0,1]=4 3904 B9R0.23 COC(=O)C(O)CS(C)=O Amb25369004 [0,2,0,0,0,0|1,0,0]=3 3905 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [0,2,0,0,0,0|1,0,0]=3 3906 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [0,2,0,0,0,0|0,0,0]=2 3907 B9R0.23 COC(=O)[C@@H](C)NC(N)=O Amb24400792 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [0,2,0,0,0,0|0,0,0]=2 3909 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [0,2,0,0,0,0|0,0,0]=2 3910 B9R0.23 COC(=O)[C@@H](N)CS(O)=O Amb24592787 [0,2,0,0,0,0|1,0,0]=3 3911 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [0,2,0,0,0,0|1,0,0]=3 3912 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [0,2,0,0,0,0|1,0,0]=3 3913 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [0,2,0,0,0,0|0,0,0]=2 3914 B9R0.23 COC(=O)[C@H](C)NS(C)=O Amb25346841 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [0,2,0,0,0,0|1,0,0]=3 3916 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [0,2,0,0,0,0|0,0,0]=2 3917 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,2,0,0,0,0|1,0,0]=3 3918 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [0,2,0,0,0,0|0,0,0]=2 3919 B9R0.23 COC(=O)[C@H](NC(=O)C)C Amb17621817 [0,2,0,0,0,0|1,0,0]=3 3920 B9R0.23 COC(=O)\C(=C\C(=O)C)\O Amb1981446 [0,2,0,0,0,0|0,0,2]=4 3921 B9R0.23 COC(=O)\C(=C\C(=O)O)\Br Amb15695379 [0,2,0,0,0,0|0,0,2]=4 3922 B9R0.23 COC(=O)\C(\Cl)=C/C(O)=O Amb24482175 [0,2,0,0,0,0|0,0,2]=4 3923 B9R0.23 COC(O)C(O)CC(O)=O Amb24650997 [0,2,0,0,0,0|0,0,2]=4 3924 B9R0.23 C[C@@H](C=C)[C@H](C)CC(O)=O Amb25843885 [0,2,0,0,0,0|1,0,1]=4 3925 B9R0.23 C[C@@H](CC)[C@@H](O)CC(O)=O Amb25068472 [0,2,0,0,0,0|1,0,1]=4 3926 B9R0.23 C[C@@H](CC)[C@H](N)CC(O)=O Amb19944304 [0,2,0,0,0,0|1,0,1]=4 3927 B9R0.23 C[C@@H](CC)[C@H](N)CC(O)=O Amb25068405 [0,2,0,0,0,0|1,0,1]=4 3928 B9R0.23 C[C@@H](CC)[C@H](O)CC(O)=O Amb24409363 [0,2,0,0,0,0|1,0,1]=4 3929 B9R0.23 C[C@@H]([C@@H](CC(=O)O)N)CC Amb16184028 [0,2,0,0,0,0|1,0,1]=4 3930 B9R0.23 C[C@H](CC(O)=O)[C@H](O)CN Amb25131743 [0,2,0,0,0,0|0,0,2]=4 3931 B9R0.23 C[C@H](CC)[C@@H](N)CC(O)=O Amb25689818 [0,2,0,0,0,0|1,0,1]=4 3932 B9R0.23 C[C@H]([C@H](CC(=O)O)N)CC Amb16184016 [0,2,0,0,0,0|1,0,1]=4 3933 B9R0.23 C\C(=C/C(O)=O)\C(=O)CC Amb24462868 [0,2,0,0,0,0|0,0,2]=4 3934 B9R0.23 C\C(=C/C)\C(N)CC(N)=O Amb24667328 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.23 C\C(=C/C)\C(N)CC(O)=O Amb24377592 [0,2,0,0,0,0|1,0,0]=3 3936 B9R0.23 C\C(=C/C)\C(O)CC(C)=O Amb24578333 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.23 C\C(=C/C)\C(O)CC(O)=O Amb18644100 [0,2,0,0,0,0|1,0,0]=3 3938 B9R0.23 C\C(=C/N)\C(N)CC(O)=O Amb25761855 [0,2,0,0,0,0|1,0,0]=3 3939 B9R0.23 C\C(=C\C(O)=O)\C(=O)NC Amb24560263 [0,2,0,0,0,0|0,0,2]=4 3940 B9R0.23 C\C(=C\C)\C(O)CC(C)=O Amb24686498 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [0,2,0,0,0,0|1,0,0]=3 3942 B9R0.23 NC(CC([O-])=O)C(=O)O[Cu+] Amb22540451 [0,2,0,0,0,0|1,0,0]=3 3943 B9R0.23 NCC(=O)C(N)CC(O)=O Amb24745663 [0,2,0,0,0,0|0,0,0]=2 3944 B9R0.23 NCC(=O)N(O)CC(O)=O Amb24480719 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.23 NN(CC(O)=O)C(=O)CCl Amb24480599 [0,2,0,0,0,0|1,0,0]=3 3946 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [0,2,0,0,0,0|1,0,0]=3 3947 B9R0.23 N[C@@H](CC(O)=O)[C@@H](N)CO Amb25788533 [0,2,0,0,0,0|1,0,1]=4 3948 B9R0.23 OC(=O)CC(C(=O)CBr)Br Amb15772353 [0,2,0,0,0,0|0,0,0]=2 3949 B9R0.23 OC(=O)CC(Cl)C(=O)CCl Amb24426203 [0,2,0,0,0,0|0,0,0]=2 3950 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [0,2,0,0,0,0|0,0,0]=2 3951 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [0,2,0,0,0,0|0,0,0]=2 3952 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [0,2,0,0,0,0|0,0,2]=4 3953 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [0,2,0,0,0,0|0,0,2]=4 3954 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [0,2,0,0,0,0|0,0,2]=4 3955 B9R0.24 BrCC(=O)CCC(=O)OC Amb17403793 [0,2,0,0,0,0|0,0,0]=2 3956 B9R0.24 BrCC(=O)NCC(=O)OC Amb17329958 [0,2,0,0,0,0|1,0,0]=3 3957 B9R0.24 CC(=NO)SCC(=O)CC Amb25373075 [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.24 CC(CCC(=O)CC)=CCl Amb24671479 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.24 CC(CN)CCC(=O)NO Amb25145597 [0,2,0,0,0,0|1,0,1]=4 3960 B9R0.24 CCC(=C)CCC(=O)C=C Amb25373310 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.24 CCC(=C)CNC(=O)OC Amb24339405 [0,2,0,0,0,0|2,0,0]=4 3962 B9R0.24 CCC(=O)C#CC(=O)OC Amb25042967 [0,2,0,0,0,0|0,0,2]=4 3963 B9R0.24 CCC(=O)CCC(=O)C=C Amb25146819 [0,2,0,0,0,0|1,0,0]=3 3964 B9R0.24 CCC(=O)CCC(=O)OC Amb24369355 [0,2,0,0,0,0|0,0,0]=2 3965 B9R0.24 CCC(=O)CCC(C)CO Amb25146971 [0,2,0,0,0,0|1,0,1]=4 3966 B9R0.24 CCC(=O)CCC(C)OC Amb25147751 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.24 CCC(=O)CC[C@@H](C)C=O Amb24478247 [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.24 CCC(=O)CNC(=O)C#C Amb24448085 [0,2,0,0,0,0|2,0,0]=4 3969 B9R0.24 CCC(=O)CNC(=O)CC Amb24505115 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.24 CCC(=O)CNC(=O)CCl Amb24725631 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.24 CCC(=O)CNC(=O)OC Amb25782037 [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.24 CCC(=O)NCC(=O)NO Amb24529194 [0,2,0,0,0,0|1,0,0]=3 3973 B9R0.24 CCC(=O)NCC(N)=NO Amb24640130 [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.24 CCC(=O)NNC(=O)CO Amb24482882 [0,2,0,0,0,0|2,0,0]=4 3975 B9R0.24 CCC(=O)NNC(=O)OC Amb24674682 [0,2,0,0,0,0|2,0,0]=4 3976 B9R0.24 CCC(=O)OCC(=C)C=O Amb25270081 [0,2,0,0,0,0|2,0,0]=4 3977 B9R0.24 CCC(=O)OCC(=O)NC Amb25355366 [0,2,0,0,0,0|2,0,0]=4 3978 B9R0.24 CCC(=O)OCC(N)=NO Amb24482611 [0,2,0,0,0,0|2,0,0]=4 3979 B9R0.24 CCC(=O)\C=C\C(=O)OC Amb24617859 [0,2,0,0,0,0|0,0,2]=4 3980 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [0,2,0,0,0,0|1,0,1]=4 3981 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,2,0,0,0,0|0,0,2]=4 3982 B9R0.24 CCN(O)CCC(=O)OC Amb24763933 [0,2,0,0,0,0|1,0,1]=4 3983 B9R0.24 CCS(=O)CCC(=O)OC Amb18788300 [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.24 CCS(=O)NCC(=O)OC Amb25273849 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,2,0,0,0,0|0,0,2]=4 3986 B9R0.24 CC[C@H](O)CCC(=O)OC Amb24377641 [0,2,0,0,0,0|0,0,2]=4 3987 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [0,2,0,0,0,0|0,0,0]=2 3988 B9R0.24 CNC(=O)CCC(C)OC Amb25337100 [0,2,0,0,0,0|1,0,1]=4 3989 B9R0.24 CNC(=O)CNC(=O)C#C Amb25108263 [0,2,0,0,0,0|2,0,0]=4 3990 B9R0.24 CNC(=O)CNC(=O)CS Amb24482097 [0,2,0,0,0,0|1,1,0]=4 3991 B9R0.24 CNC(=O)CNC(=O)OC Amb24457364 [0,2,0,0,0,0|1,0,0]=3 3992 B9R0.24 CNC(=O)NCC(=O)OC Amb25053562 [0,2,0,0,0,0|1,0,0]=3 3993 B9R0.24 CNS(=O)CCC(=O)NC Amb24378122 [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.24 COC(=N)CCC(=O)OC Amb17673181 [0,2,0,0,0,0|1,0,0]=3 3995 B9R0.24 COC(=O)C#CC(=O)CO Amb24379030 [0,2,0,0,0,0|0,0,2]=4 3996 B9R0.24 COC(=O)CCC(=O)C#C Amb25092912 [0,2,0,0,0,0|0,0,1]=3 3997 B9R0.24 COC(=O)CCC(=O)C#N Amb24619769 [0,2,0,0,0,0|0,0,1]=3 3998 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [0,2,0,0,0,0|0,0,0]=2 3999 B9R0.24 COC(=O)CCC(Br)C=O Amb24680272 [0,2,0,0,0,0|1,0,1]=4 4000 B9R0.24 COC(=O)CCC(Br)CBr Amb25343381 [0,2,0,0,0,0|1,0,1]=4 4001 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,2,0,0,0,0|0,0,1]=3 4002 B9R0.24 COC(=O)CCC(C)CBr Amb25032347 [0,2,0,0,0,0|1,0,1]=4 4003 B9R0.24 COC(=O)CCC(C)SC Amb24709195 [0,2,0,0,0,0|0,1,1]=4 4004 B9R0.24 COC(=O)CCC(Cl)CCl Amb25241534 [0,2,0,0,0,0|1,0,1]=4 4005 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [0,2,0,0,0,0|1,0,1]=4 4006 B9R0.24 COC(=O)CCC(O)C=C Amb25127861 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.24 COC(=O)CCC(O)CBr Amb25044783 [0,2,0,0,0,0|0,0,2]=4 4008 B9R0.24 COC(=O)CCC(O)CN Amb25857935 [0,2,0,0,0,0|0,0,2]=4 4009 B9R0.24 COC(=O)CCC(O)CO Amb25204294 [0,2,0,0,0,0|0,0,2]=4 4010 B9R0.24 COC(=O)CCN(C)C#N Amb25049700 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.24 COC(=O)CC[C@@H](C)C=O Amb25104821 [0,2,0,0,0,0|0,0,1]=3 4012 B9R0.24 COC(=O)CC[C@@H](O)C#C Amb25343842 [0,2,0,0,0,0|1,0,1]=4 4013 B9R0.24 COC(=O)CC[C@@H](O)CN Amb24744697 [0,2,0,0,0,0|0,0,2]=4 4014 B9R0.24 COC(=O)CC[C@H](Cl)C=O Amb25100997 [0,2,0,0,0,0|1,0,1]=4 4015 B9R0.24 COC(=O)CC[C@H](O)C=C Amb24481290 [0,2,0,0,0,0|1,0,1]=4 4016 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [0,2,0,0,0,0|1,0,0]=3 4017 B9R0.24 COC(=O)COC(=O)CCl Amb24378028 [0,2,0,0,0,0|1,0,0]=3 4018 B9R0.24 COC(=O)CSC(=S)OC Amb25133989 [0,2,0,0,0,0|1,1,0]=4 4019 B9R0.24 COC(=O)N=NC(=O)OC Amb10807402 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.24 COC(=O)NCC(N)=NO Amb25835564 [0,2,0,0,0,0|2,0,0]=4 4021 B9R0.24 COC(=O)OCC(=O)CC Amb25059695 [0,2,0,0,0,0|1,0,0]=3 4022 B9R0.24 COC(=O)OOC(=O)OC Amb22731739 [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,2]=4 4024 B9R0.24 COP(=O)CCC(=O)OC Amb25187314 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.24 COS(=O)CCC(=O)OC Amb22728623 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.24 CSC(C)CCC(=O)NO Amb24538243 [0,2,0,0,0,0|0,1,1]=4 4027 B9R0.24 C\C(=N\O)\SCC(=O)CC Amb25146507 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.24 C\C(\C=O)=C/CC(=O)OC Amb18643828 [0,2,0,0,0,0|0,0,1]=3 4029 B9R0.24 C\C(\C=O)=C/OC(=O)OC Amb25799337 [0,2,0,0,0,0|1,0,1]=4 4030 B9R0.24 C\C(\C=O)=C\CC(=O)OC Amb24655988 [0,2,0,0,0,0|0,0,1]=3 4031 B9R0.24 C\C(\C=O)=C\NC(=O)OC Amb24730546 [0,2,0,0,0,0|1,0,1]=4 4032 B9R0.24 NC(CCC(N)=S=O)=S=O Amb25774371 [0,2,0,0,0,0|2,0,0]=4 4033 B9R0.24 NCC(=O)NCC(=O)NO Amb24418745 [0,2,0,0,0,0|1,0,0]=3 4034 B9R0.24 NNC(=O)CNC(=O)CCl Amb25302262 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.24 NOC(=O)CCC(=O)C#N Amb24478209 [0,2,0,0,0,0|0,0,1]=3 4036 B9R0.24 O=NN(CCC(=O)OC)C Amb17618594 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.24 OC(C=O)=COC(=O)CCl Amb24561667 [0,2,0,0,0,0|1,0,1]=4 4038 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [0,2,0,0,0,0|0,0,0]=2 4039 B9R0.24 O[C@H](CNC(=O)CBr)C=O Amb24477267 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.24 [NH4]OC(=O)CCC(=O)O[NH4] Amb22346144 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.42 C=C(NC(=O)CBr)C(O)=O Amb24700288 [0,2,0,0,0,0|1,0,1]=4 4043 B9R0.42 C=C(NC(=O)CN)C(O)=O Amb25845451 [0,2,0,0,0,0|1,0,1]=4 4044 B9R0.42 CC(=C)C(O)CC(=O)CC Amb24588855 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.42 CC(=O)C(=C)CC(=O)OC Amb24378956 [0,2,0,0,0,0|0,0,1]=3 4046 B9R0.42 CC(=O)C(=O)CC(=O)CC Amb25110491 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.42 CC(=O)C(=O)CC(=O)OC Amb25146895 [0,2,0,0,0,0|0,0,1]=3 4048 B9R0.42 CC(=O)C(C)=CC(=O)OC Amb20668358 [0,2,0,0,0,0|0,0,2]=4 4049 B9R0.42 CC(=O)C(C)CC(=C)CC Amb24529318 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.42 CC(=O)C(C)CC(=C)CO Amb24477027 [0,2,0,0,0,0|1,0,0]=3 4051 B9R0.42 CC(=O)C(C)CC(=O)CC Amb25146752 [0,2,0,0,0,0|1,0,0]=3 4052 B9R0.42 CC(=O)C(C)NC(=O)C=C Amb25141954 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.42 CC(=O)C(C)NC(=O)CBr Amb25726340 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.42 CC(=O)C(C)NC(=O)NC Amb24672055 [0,2,0,0,0,0|2,0,0]=4 4055 B9R0.42 CC(=O)C(C)OC(=O)CO Amb24482745 [0,2,0,0,0,0|1,0,0]=3 4056 B9R0.42 CC(=O)C(C)OC(=O)OC Amb24647748 [0,2,0,0,0,0|1,0,0]=3 4057 B9R0.42 CC(=O)C(C)SC(=S)OC Amb24575972 [0,2,0,0,0,0|1,1,0]=4 4058 B9R0.42 CC(=O)C(C)\C=C(\C)/C=O Amb24715740 [0,2,0,0,0,0|1,0,1]=4 4059 B9R0.42 CC(=O)C(Cl)CC(=O)OC Amb25061154 [0,2,0,0,0,0|0,0,0]=2 4060 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [0,2,0,0,0,0|0,0,0]=2 4061 B9R0.42 CC(=O)C(O)CC(=O)CC Amb24467028 [0,2,0,0,0,0|1,0,0]=3 4062 B9R0.42 CC(=O)C(O)CC(=O)OC Amb25146688 [0,2,0,0,0,0|0,0,0]=2 4063 B9R0.42 CC(=O)N(C)CC(=O)CCl Amb24390167 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.42 CC(=O)N(C)CC(=O)NC Amb20624644 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.42 CC(=O)[C@@H](C)CC(=C)CO Amb24423877 [0,2,0,0,0,0|1,0,0]=3 4066 B9R0.42 CC(=O)[C@H](C)NC(=O)OC Amb24377158 [0,2,0,0,0,0|1,0,0]=3 4067 B9R0.42 CC(=O)\C(\C)=C/C(=O)OC Amb25106945 [0,2,0,0,0,0|0,0,2]=4 4068 B9R0.42 CC(=O)\C(\C)=C\C(=O)OC Amb24545647 [0,2,0,0,0,0|0,0,2]=4 4069 B9R0.42 CC(=O)\C(\C)=N\C(=O)OC Amb25146686 [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.42 CC(C(=O)N)CC(=O)NC Amb17334219 [0,2,0,0,0,0|1,0,0]=3 4071 B9R0.42 CC(C(=O)O)NC(=O)CC Amb1116933 [0,2,0,0,0,0|1,0,0]=3 4072 B9R0.42 CC(C(=O)O)NC(=O)NC Amb1130316 [0,2,0,0,0,0|1,0,0]=3 4073 B9R0.42 CC(C)C(C)CC(=O)OC Amb24482543 [0,2,0,0,0,0|1,0,1]=4 4074 B9R0.42 CC(C)C(N)CC(=O)NO Amb24502300 [0,2,0,0,0,0|1,0,1]=4 4075 B9R0.42 CC(C)C(N)CC(=O)OC Amb22168224 [0,2,0,0,0,0|1,0,1]=4 4076 B9R0.42 CC(C)C(O)CC(=O)OC Amb24423234 [0,2,0,0,0,0|1,0,1]=4 4077 B9R0.42 CC(C)[C@@H](N)CC(=O)OC Amb23401522 [0,2,0,0,0,0|1,0,1]=4 4078 B9R0.42 CC(C)[C@H](O)CC(=O)OC Amb25847717 [0,2,0,0,0,0|1,0,1]=4 4079 B9R0.42 CC(CC(=O)CCl)C(O)=O Amb24585160 [0,2,0,0,0,0|0,0,0]=2 4080 B9R0.42 CC(CC(=O)CN)C(O)=O Amb25758299 [0,2,0,0,0,0|0,0,0]=2 4081 B9R0.42 CC(CC(=O)OC)C(C)N Amb25296644 [0,2,0,0,0,0|1,0,1]=4 4082 B9R0.42 CC(CC(=O)OC)C(C)O Amb25260435 [0,2,0,0,0,0|0,0,2]=4 4083 B9R0.42 CC(CC(Br)C(O)=O)CN Amb24478240 [0,2,0,0,0,0|1,0,1]=4 4084 B9R0.42 CC(CC(C)C#N)C(O)=O Amb25694006 [0,2,0,0,0,0|1,0,1]=4 4085 B9R0.42 CC(CC(C)C=C)C(O)=O Amb18643935 [0,2,0,0,0,0|1,0,1]=4 4086 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [0,2,0,0,0,0|0,0,1]=3 4087 B9R0.42 CC(CC(F)C(O)=O)CN Amb25265347 [0,2,0,0,0,0|1,0,1]=4 4088 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [0,2,0,0,0,0|0,0,2]=4 4089 B9R0.42 CC(CC(N)C(O)=O)=C=C Amb24409576 [0,2,0,0,0,0|1,0,0]=3 4090 B9R0.42 CC(CC(N)C(O)=O)C#C Amb25067277 [0,2,0,0,0,0|1,0,1]=4 4091 B9R0.42 CC(CC(N)C(O)=O)C#N Amb25262927 [0,2,0,0,0,0|1,0,1]=4 4092 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [0,2,0,0,0,0|1,0,1]=4 4093 B9R0.42 CC(CC(N)C(O)=O)CC Amb18313985 [0,2,0,0,0,0|1,0,1]=4 4094 B9R0.42 CC(CC(N)C(O)=O)CC Amb20667726 [0,2,0,0,0,0|1,0,1]=4 4095 B9R0.42 CC(CC(N)C(O)=O)CCl Amb24480574 [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [0,2,0,0,0,0|0,0,2]=4 4097 B9R0.42 CC(CC(N)C(O)=O)NC Amb24711878 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [0,2,0,0,0,0|0,0,2]=4 4099 B9R0.42 CC(CC(N)C(O)=O)SC Amb24365891 [0,2,0,0,0,0|0,1,1]=4 4100 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [0,2,0,0,0,0|0,0,1]=3 4101 B9R0.42 CC(CC(O)C(O)=O)CC Amb25849308 [0,2,0,0,0,0|1,0,1]=4 4102 B9R0.42 CC(CC(O)CN)C(O)=O Amb25375725 [0,2,0,0,0,0|0,0,2]=4 4103 B9R0.42 CC(CC(S)C(O)=O)CC Amb18798152 [0,2,0,0,0,0|1,0,1]=4 4104 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [0,2,0,0,0,0|0,0,2]=4 4105 B9R0.42 CC(CN(C)C=O)C(O)=O Amb18292993 [0,2,0,0,0,0|1,0,0]=3 4106 B9R0.42 CC(CN)CC(C)C(O)=O Amb24717285 [0,2,0,0,0,0|1,0,1]=4 4107 B9R0.42 CC(C[C@@H](N)C(O)=O)CC Amb25127143 [0,2,0,0,0,0|1,0,1]=4 4108 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [0,2,0,0,0,0|0,0,2]=4 4109 B9R0.42 CC(C[C@@H](N)C(O)=O)SC Amb24692660 [0,2,0,0,0,0|0,1,1]=4 4110 B9R0.42 CC(C[C@H](N)C(O)=O)C#C Amb25214668 [0,2,0,0,0,0|1,0,1]=4 4111 B9R0.42 CC(C[C@H](N)C(O)=O)CCl Amb24479195 [0,2,0,0,0,0|1,0,1]=4 4112 B9R0.42 CC(Cl)C(Cl)CC(=O)OC Amb24613883 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.42 CC(NC(=O)CS)C(N)=O Amb24482112 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.42 CC(O)C(N)CC(=O)OC Amb24466348 [0,2,0,0,0,0|0,0,2]=4 4115 B9R0.42 CC(O)[C@@H](N)CC(=O)OC Amb25315361 [0,2,0,0,0,0|0,0,2]=4 4116 B9R0.42 CC(OC(=O)CBr)C(N)=O Amb25695321 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.42 CC(OC(=O)CN)C(O)=O Amb25305694 [0,2,0,0,0,0|1,0,0]=3 4118 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [0,2,0,0,0,0|1,0,0]=3 4119 B9R0.42 CCC(=C)CC(C)C(O)=O Amb25342029 [0,2,0,0,0,0|1,0,0]=3 4120 B9R0.42 CCC(=C)CC(N)C(N)=O Amb24429018 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.42 CCC(=C)CC(O)C(O)=O Amb25200851 [0,2,0,0,0,0|1,0,0]=3 4122 B9R0.42 CCC(=C)C[C@H](C)C(O)=O Amb24384990 [0,2,0,0,0,0|1,0,0]=3 4123 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [0,2,0,0,0,0|1,0,0]=3 4124 B9R0.42 CCC(=O)CC(C)C(C)O Amb25298744 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,2,0,0,0,0|1,0,0]=3 4126 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [0,2,0,0,0,0|0,0,0]=2 4127 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [0,2,0,0,0,0|0,0,0]=2 4128 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [0,2,0,0,0,0|0,0,0]=2 4129 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [0,2,0,0,0,0|0,0,0]=2 4130 B9R0.42 CCC(=O)NC(C)C(N)=O Amb25067448 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.42 CCC(=O)N[C@@H](C)C(O)=O Amb22901053 [0,2,0,0,0,0|1,0,0]=3 4132 B9R0.42 CCC(=O)OC(C)C(N)=O Amb25780866 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.42 CCC(=O)OC(C)C(O)=O Amb18644241 [0,2,0,0,0,0|1,0,0]=3 4134 B9R0.42 CCC(=O)\C=C(/O)\C(O)=O Amb24681807 [0,2,0,0,0,0|0,0,2]=4 4135 B9R0.42 CCC(=O)\C=C(\O)/C(O)=O Amb24629501 [0,2,0,0,0,0|0,0,2]=4 4136 B9R0.42 CCC(C)CC(C)C(O)=O Amb22228338 [0,2,0,0,0,0|1,0,1]=4 4137 B9R0.42 CCC(Cl)CC(N)C(O)=O Amb24374416 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [0,2,0,0,0,0|0,0,2]=4 4139 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [0,2,0,0,0,0|0,0,2]=4 4140 B9R0.42 CCN(C)CC(Cl)C(O)=O Amb25713950 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.42 CCN(C)CC(O)C(O)=O Amb25367420 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.42 CCN(O)CC(O)C(O)=O Amb24699297 [0,2,0,0,0,0|1,0,1]=4 4143 B9R0.42 CCS(=N)CC(N)C(O)=O Amb25046702 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.42 CCS(=N)C[C@H](N)C(O)=O Amb24502175 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.42 CCS(=O)CC(C)C(O)=O Amb19012076 [0,2,0,0,0,0|1,0,0]=3 4146 B9R0.42 CCS(=O)N[C@H](C)C(O)=O Amb24572538 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.42 CC[C@@H](C)C[C@H](C)C(O)=O Amb24426532 [0,2,0,0,0,0|1,0,1]=4 4148 B9R0.42 CC[C@@H](F)C[C@H](N)C(O)=O Amb25147291 [0,2,0,0,0,0|1,0,1]=4 4149 B9R0.42 CC[C@H](C)C[C@@H](C)C(O)=O Amb24480420 [0,2,0,0,0,0|1,0,1]=4 4150 B9R0.42 CNC(=O)CC(=C)C(O)=O Amb22269311 [0,2,0,0,0,0|0,0,1]=3 4151 B9R0.42 CNC(=O)CC(N)C(N)=O Amb25284709 [0,2,0,0,0,0|1,0,0]=3 4152 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [0,2,0,0,0,0|0,0,0]=2 4153 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [0,2,0,0,0,0|0,0,0]=2 4154 B9R0.42 CNC(=O)NC(=O)C(O)=O Amb25134845 [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.42 CNC(=O)N[C@@H](C)C(O)=O Amb24478025 [0,2,0,0,0,0|1,0,0]=3 4156 B9R0.42 CNC(=O)N[C@H](C)C(N)=O Amb24734187 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.42 CNC(=O)N[C@H](C)C(O)=O Amb24558529 [0,2,0,0,0,0|1,0,0]=3 4158 B9R0.42 CNC(=S)N[C@@H](C)C(O)=O Amb25123317 [0,2,0,0,0,0|1,1,0]=4 4159 B9R0.42 CNC(=S)N[C@H](C)C(O)=O Amb24470154 [0,2,0,0,0,0|1,1,0]=4 4160 B9R0.42 CNC(C)CC(C)C(O)=O Amb25291515 [0,2,0,0,0,0|1,0,1]=4 4161 B9R0.42 COC(=O)CC(=C)C(N)=O Amb24655917 [0,2,0,0,0,0|1,0,1]=4 4162 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 4163 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [0,2,0,0,0,0|0,0,0]=2 4164 B9R0.42 COC(=O)CC(C(=O)C)Br Amb17403794 [0,2,0,0,0,0|0,0,0]=2 4165 B9R0.42 COC(=O)CC(C)C(N)=O Amb24604307 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [0,2,0,0,0,0|0,0,0]=2 4167 B9R0.42 COC(=O)CC(C)S(C)=O Amb18788309 [0,2,0,0,0,0|1,0,0]=3 4168 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [0,2,0,0,0,0|0,0,0]=2 4169 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [0,2,0,0,0,0|0,0,0]=2 4170 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [0,2,0,0,0,0|0,0,0]=2 4171 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl Amb24556752 [0,2,0,0,0,0|1,0,0]=3 4172 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [0,2,0,0,0,0|0,0,0]=2 4173 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [0,2,0,0,0,0|0,0,0]=2 4174 B9R0.42 COC(=O)C[C@H](Br)C(N)=O Amb25326024 [0,2,0,0,0,0|1,0,0]=3 4175 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [0,2,0,0,0,0|0,0,0]=2 4176 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [0,2,0,0,0,0|0,0,0]=2 4177 B9R0.42 COC(=O)NC(C)C(=O)Cl Amb25365583 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.42 COC(=O)NC(C)C(N)=O Amb24459048 [0,2,0,0,0,0|2,0,0]=4 4179 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.42 COC(=O)N[C@H](C)C(=O)Cl Amb24505067 [0,2,0,0,0,0|2,0,0]=4 4181 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.42 COC(=S)NC(C)C(O)=O Amb24740723 [0,2,0,0,0,0|1,1,0]=4 4183 B9R0.42 COC(=S)N[C@@H](C)C(O)=O Amb25088529 [0,2,0,0,0,0|1,1,0]=4 4184 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [0,2,0,0,0,0|0,0,2]=4 4185 B9R0.42 CSC(=S)NC(C)C(O)=O Amb24536549 [0,2,0,0,0,0|1,1,0]=4 4186 B9R0.42 CSC(=S)N[C@H](C)C(O)=O Amb25798847 [0,2,0,0,0,0|1,1,0]=4 4187 B9R0.42 C[C@@H](CC(=O)OC)[C@H](C)O Amb25206323 [0,2,0,0,0,0|0,0,2]=4 4188 B9R0.42 C[C@@H](C[C@@H](C)C=C)C(O)=O Amb25756960 [0,2,0,0,0,0|1,0,1]=4 4189 B9R0.42 C[C@@H](C[C@@H](N)C(O)=O)CC Amb25844637 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.42 C[C@@H](C[C@H](C)C=C)C(O)=O Amb25757917 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [0,2,0,0,0,0|1,0,1]=4 4192 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CC Amb24619367 [0,2,0,0,0,0|1,0,1]=4 4193 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CF Amb25147611 [0,2,0,0,0,0|1,0,1]=4 4194 B9R0.42 C[C@@H](C[C@H](O)CN)C(O)=O Amb24447195 [0,2,0,0,0,0|0,0,2]=4 4195 B9R0.42 C[C@@H](NC(=O)C#C)C(O)=O Amb25289450 [0,2,0,0,0,0|1,0,1]=4 4196 B9R0.42 C[C@@H](NC(=O)C=C)C(O)=O Amb25780798 [0,2,0,0,0,0|1,0,1]=4 4197 B9R0.42 C[C@@H](NC(=O)CBr)C(N)=O Amb25694906 [0,2,0,0,0,0|2,0,0]=4 4198 B9R0.42 C[C@@H](NC(=O)CN)C(N)=O Amb22799926 [0,2,0,0,0,0|2,0,0]=4 4199 B9R0.42 C[C@@H](NC(=O)CN)C(O)=O Amb22746707 [0,2,0,0,0,0|1,0,0]=3 4200 B9R0.42 C[C@H](C(=O)O)NC(=O)CCl Amb10842258 [0,2,0,0,0,0|1,0,0]=3 4201 B9R0.42 C[C@H](C[C@@H](N)C(O)=O)CC Amb25738618 [0,2,0,0,0,0|1,0,1]=4 4202 B9R0.42 C[C@H](C[C@H](C)C=C)C(O)=O Amb24352097 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.42 C[C@H](C[C@H](C)C=O)C(C)=O Amb25043958 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [0,2,0,0,0,0|0,0,2]=4 4205 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C#N Amb24529159 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CC Amb25662528 [0,2,0,0,0,0|1,0,1]=4 4208 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CF Amb25378691 [0,2,0,0,0,0|1,0,1]=4 4209 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [0,2,0,0,0,0|0,0,2]=4 4210 B9R0.42 C[C@H](C[C@H](N)C(O)=O)SC Amb25848560 [0,2,0,0,0,0|0,1,1]=4 4211 B9R0.42 C[C@H](C[C@H](O)C(O)=O)CC Amb24446982 [0,2,0,0,0,0|1,0,1]=4 4212 B9R0.42 C[C@H](NC(=O)C=C)C(O)=O Amb25805764 [0,2,0,0,0,0|1,0,1]=4 4213 B9R0.42 C[C@H](NC(=O)CBr)C(N)=O Amb25040226 [0,2,0,0,0,0|2,0,0]=4 4214 B9R0.42 C[C@H](NC(=O)CBr)C(O)=O Amb25804070 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.42 C[C@H](NC(=O)CCl)C(=O)Cl Amb24482424 [0,2,0,0,0,0|2,0,0]=4 4216 B9R0.42 C[C@H](NC(=O)CN)C(N)=O Amb19929924 [0,2,0,0,0,0|2,0,0]=4 4217 B9R0.42 C[C@H](NC(=O)CN)C(N)=O Amb24761022 [0,2,0,0,0,0|2,0,0]=4 4218 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [0,2,0,0,0,0|1,0,0]=3 4219 B9R0.42 C\C(=C/C(=O)OC)\C(O)=O Amb18644070 [0,2,0,0,0,0|0,0,2]=4 4220 B9R0.42 C\C(=C\C(=O)NC)\C(O)=O Amb25271038 [0,2,0,0,0,0|0,0,2]=4 4221 B9R0.42 C\C(=C\C(=O)OC)\C(O)=O Amb24670134 [0,2,0,0,0,0|0,0,2]=4 4222 B9R0.42 C\C(=N\C(=O)CO)\C(O)=O Amb24505276 [0,2,0,0,0,0|1,0,1]=4 4223 B9R0.42 C\C(\C=C)=C/[C@H](C)C(O)=O Amb25239302 [0,2,0,0,0,0|1,0,1]=4 4224 B9R0.42 C\C(\C=C)=C\C(C)C(O)=O Amb24381514 [0,2,0,0,0,0|1,0,1]=4 4225 B9R0.42 C\C(\CC(=C)C(O)=O)=C/C Amb24746757 [0,2,0,0,0,0|1,0,1]=4 4226 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [0,2,0,0,0,0|1,0,0]=3 4227 B9R0.42 C\C(\CCl)=C/[C@H](C)C(O)=O Amb25313581 [0,2,0,0,0,0|1,0,1]=4 4228 B9R0.42 C\C(\CO)=C/[C@H](C)C(C)=O Amb24371636 [0,2,0,0,0,0|1,0,1]=4 4229 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [0,2,0,0,0,0|1,0,0]=3 4230 B9R0.42 ClCC(=O)NC(=C)C(=O)O Amb1951911 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [0,2,0,0,0,0|0,0,0]=2 4232 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [0,2,0,0,0,0|0,0,0]=2 4233 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,2,0,0,0,0|0,0,0]=2 4234 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [0,2,0,0,0,0|1,0,0]=3 4235 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [0,2,0,0,0,0|1,0,0]=3 4236 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [0,2,0,0,0,0|1,0,1]=4 4237 B9R0.42 NC(CC(F)CN)C(O)=O Amb24709973 [0,2,0,0,0,0|1,0,1]=4 4238 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [0,2,0,0,0,0|0,0,2]=4 4239 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [0,2,0,0,0,0|0,0,2]=4 4240 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [0,2,0,0,0,0|0,0,2]=4 4241 B9R0.42 NC(\C=C(\P)/C=O)C(O)=O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.42 NCC(=O)CC(F)C(O)=O Amb25367166 [0,2,0,0,0,0|0,0,0]=2 4243 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [0,2,0,0,0,0|0,0,0]=2 4244 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [0,2,0,0,0,0|0,0,0]=2 4245 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [0,2,0,0,0,0|0,0,2]=4 4246 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [0,2,0,0,0,0|1,0,0]=3 4247 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [0,2,0,0,0,0|0,0,0]=2 4248 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [0,2,0,0,0,0|1,0,1]=4 4249 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [0,2,0,0,0,0|0,0,2]=4 4250 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [0,2,0,0,0,0|1,0,1]=4 4251 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [0,2,0,0,0,0|0,0,2]=4 4252 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [0,2,0,0,0,0|0,0,2]=4 4253 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [0,2,0,0,0,0|0,0,2]=4 4254 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [0,2,0,0,0,0|0,0,2]=4 4255 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [0,2,0,0,0,0|1,0,0]=3 4256 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [0,2,0,0,0,0|0,0,2]=4 4257 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [0,2,0,0,0,0|0,0,2]=4 4258 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.42 OC(=O)C(O)CC(=O)CBr Amb24477419 [0,2,0,0,0,0|0,0,0]=2 4262 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [0,2,0,0,0,0|0,0,2]=4 4263 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [0,2,0,0,0,0|0,0,2]=4 4264 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [0,2,0,0,0,0|0,0,2]=4 4265 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [0,2,0,0,0,0|0,0,2]=4 4266 B9R0.43 CC(=O)CCC(C#N)=C=C Amb24707008 [0,2,0,0,0,0|2,0,0]=4 4267 B9R0.43 CC(=O)CCC(C=C)C=O Amb24619623 [0,2,0,0,0,0|1,0,1]=4 4268 B9R0.43 CC(=O)CCC(CC)=C=C Amb25320141 [0,2,0,0,0,0|2,0,0]=4 4269 B9R0.43 CC(=O)CCC(CC)=CC Amb24518433 [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.43 CC(=O)CCC(OC)OC Amb25146554 [0,2,0,0,0,0|0,0,2]=4 4271 B9R0.43 CC(=O)CCN(C=C)C=O Amb25146830 [0,2,0,0,0,0|2,0,0]=4 4272 B9R0.43 CC(=O)CC\C(\C=O)=C\C Amb18643605 [0,2,0,0,0,0|1,0,0]=3 4273 B9R0.43 CC(=O)CC\C(\CC)=C\C Amb25857597 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.43 CC(=O)OC\C(\C=O)=C\C Amb25371691 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.43 CC(=O)OC\C(\C=O)=N/O Amb24418493 [0,2,0,0,0,0|1,0,0]=3 4276 B9R0.43 CCC(CC)=CCC(O)=O Amb24358562 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.43 CCC(CCC(C)=O)C=O Amb18643911 [0,2,0,0,0,0|1,0,1]=4 4278 B9R0.43 CCC(CCC(O)=O)=CC Amb24480728 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.43 CCC(CCC(O)=O)C#N Amb18643712 [0,2,0,0,0,0|1,0,1]=4 4280 B9R0.43 CCC(CCC(O)=O)C=O Amb25378745 [0,2,0,0,0,0|0,0,1]=3 4281 B9R0.43 CCC(CCC(O)=O)NN Amb24478238 [0,2,0,0,0,0|1,0,1]=4 4282 B9R0.43 CCN(CCC(C)=O)C=O Amb24458250 [0,2,0,0,0,0|2,0,0]=4 4283 B9R0.43 CCN(CCC(O)=O)C=O Amb19010092 [0,2,0,0,0,0|1,0,0]=3 4284 B9R0.43 CCN(CCC(O)=O)N=O Amb24659873 [0,2,0,0,0,0|1,0,0]=3 4285 B9R0.43 CCP(CCC(O)=O)CC Amb24390842 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.43 CC[C@@H](CCC(C)=O)C=O Amb24573990 [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.43 CC[C@@H](CCC(O)=O)NN Amb24640349 [0,2,0,0,0,0|1,0,1]=4 4288 B9R0.43 CC[S+](CCC(O)=O)CC Amb24702750 [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.43 CNC(=NC)SCC(O)=O Amb24623623 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.43 CNC(NC)=NCC(O)=O Amb24478941 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.43 CN[C@H](CS)CCC(O)=O Amb24482183 [0,2,0,0,0,0|0,1,1]=4 4292 B9R0.43 COC(CCC(O)=O)OC Amb24657204 [0,2,0,0,0,0|0,0,2]=4 4293 B9R0.43 CO[C@H](CN)CCC(O)=O Amb24544386 [0,2,0,0,0,0|0,0,2]=4 4294 B9R0.43 NCC(CCC(O)=O)=NO Amb24591142 [0,2,0,0,0,0|0,0,1]=3 4295 B9R0.43 NCC(CCC(O)=O)CN Amb25062561 [0,2,0,0,0,0|1,0,1]=4 4296 B9R0.48 C#CCC(=O)NCC(N)=O Amb24687606 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.48 C#CCC(O)CCC(O)=O Amb25077171 [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.48 C#CCN(CCC(=O)O)C Amb17561257 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.48 C=C=CC(=O)CCC(O)=O Amb25367303 [0,2,0,0,0,0|0,0,1]=3 4300 B9R0.48 C=CCC(=O)CCC(O)=O Amb18643852 [0,2,0,0,0,0|0,0,0]=2 4301 B9R0.48 C=CCC(=O)NCC(O)=O Amb19028176 [0,2,0,0,0,0|1,0,0]=3 4302 B9R0.48 C=CCC(=O)OCC(N)=O Amb25854860 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.48 C=CCC(=O)\C=C\C(O)=O Amb18643496 [0,2,0,0,0,0|0,0,2]=4 4304 B9R0.48 C=CCC(N)CCC(O)=O Amb25132628 [0,2,0,0,0,0|1,0,1]=4 4305 B9R0.48 C=CCN(CCC(=O)O)C Amb17334214 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.48 C=CCS(=O)CCC(O)=O Amb25032474 [0,2,0,0,0,0|1,0,0]=3 4307 B9R0.48 C=CC[C@@H](N)CCC(O)=O Amb25308063 [0,2,0,0,0,0|1,0,1]=4 4308 B9R0.48 C=CC\C(\Cl)=C/CC(O)=O Amb18645428 [0,2,0,0,0,0|1,0,1]=4 4309 B9R0.48 C=CNC(=O)CCC(O)=O Amb24505247 [0,2,0,0,0,0|0,0,1]=3 4310 B9R0.48 C=NCC(=O)NCC(O)=O Amb25739222 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.48 CC(=C)CCC(=O)COC Amb24371466 [0,2,0,0,0,0|1,0,0]=3 4312 B9R0.48 CC(=C)CCC(=O)OCC Amb22270105 [0,2,0,0,0,0|1,0,0]=3 4313 B9R0.48 CC(=C)CNC(=O)COC Amb25856639 [0,2,0,0,0,0|2,0,0]=4 4314 B9R0.48 CC(=O)CCC(=C)CCC Amb24432180 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.48 CC(=O)CCC(=O)CC#N Amb24721780 [0,2,0,0,0,0|1,0,0]=3 4316 B9R0.48 CC(=O)CCC(=O)CCBr Amb24381453 [0,2,0,0,0,0|1,0,0]=3 4317 B9R0.48 CC(=O)CCC(=O)COC Amb24724049 [0,2,0,0,0,0|0,0,0]=2 4318 B9R0.48 CC(=O)CCC(=O)NOC Amb24478126 [0,2,0,0,0,0|0,0,0]=2 4319 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [0,2,0,0,0,0|0,0,0]=2 4320 B9R0.48 CC(=O)CCC(=O)\C=C\C Amb24691794 [0,2,0,0,0,0|1,0,0]=3 4321 B9R0.48 CC(=O)CCC(O)CC#N Amb18643714 [0,2,0,0,0,0|1,0,1]=4 4322 B9R0.48 CC(=O)CNC(=O)CCCl Amb24462717 [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.48 CC(=O)CNC(=O)COC Amb25369821 [0,2,0,0,0,0|1,0,0]=3 4324 B9R0.48 CC(=O)CNC(=O)CSC Amb25738341 [0,2,0,0,0,0|1,1,0]=4 4325 B9R0.48 CC(=O)CN\C(\C)=C/C=O Amb18643711 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.48 CC(=O)COC(=O)C#CC Amb24524640 [0,2,0,0,0,0|2,0,0]=4 4327 B9R0.48 CC(=O)COC(=O)CC=C Amb24421309 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.48 CC(=O)COC(=O)COC Amb24387702 [0,2,0,0,0,0|1,0,0]=3 4329 B9R0.48 CC(=O)COC(=O)CSC Amb25724297 [0,2,0,0,0,0|1,1,0]=4 4330 B9R0.48 CC(=O)COC(=O)OCC Amb25682129 [0,2,0,0,0,0|1,0,0]=3 4331 B9R0.48 CC(=O)NCC(=N)OCC Amb25809883 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.48 CC(=O)NCC(=O)CCC Amb25367834 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.48 CC(=O)NCC(=O)NC#N Amb25784995 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.48 CC(=O)NCC(=O)SCC Amb25146289 [0,2,0,0,0,0|1,1,0]=4 4335 B9R0.48 CC(=O)NNC(=O)COC Amb25833239 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.48 CC(=O)NNC(=O)NOC Amb25027478 [0,2,0,0,0,0|2,0,0]=4 4337 B9R0.48 CC(=O)OCC(=O)NCC Amb24747778 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.48 CC(=O)OCC(=O)OCC Amb24482663 [0,2,0,0,0,0|1,0,0]=3 4339 B9R0.48 CC(=O)OCC(=O)\C=C\C Amb24587837 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.48 CC(=O)OCC(C)=CC=O Amb25185647 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.48 CC(=O)OCC(Cl)=CCO Amb24524438 [0,2,0,0,0,0|2,0,0]=4 4342 B9R0.48 CC(=O)OCC(O)CC=O Amb24736983 [0,2,0,0,0,0|1,0,1]=4 4343 B9R0.48 CC(=O)OC[C@H](O)CC=O Amb24758802 [0,2,0,0,0,0|1,0,1]=4 4344 B9R0.48 CC(=O)\C=C\C(=O)OC=C Amb24631181 [0,2,0,0,0,0|0,0,2]=4 4345 B9R0.48 CC(C)CCC(=O)OCCl Amb24480678 [0,2,0,0,0,0|1,0,1]=4 4346 B9R0.48 CC(CC#C)CCC(O)=O Amb25331115 [0,2,0,0,0,0|1,0,1]=4 4347 B9R0.48 CC(CC#N)=CCC(O)=O Amb24480771 [0,2,0,0,0,0|1,0,1]=4 4348 B9R0.48 CC(CC#N)CCC(O)=O Amb25826195 [0,2,0,0,0,0|1,0,1]=4 4349 B9R0.48 CC(CCC(C)=O)=CCO Amb24656003 [0,2,0,0,0,0|1,0,0]=3 4350 B9R0.48 CC(CCC(C)=O)=NOC Amb24583507 [0,2,0,0,0,0|1,0,0]=3 4351 B9R0.48 CC(CCC(O)=O)=CC#C Amb24629994 [0,2,0,0,0,0|1,0,0]=3 4352 B9R0.48 CC(CCC(O)=O)=CC#N Amb25069291 [0,2,0,0,0,0|1,0,0]=3 4353 B9R0.48 CC(CCC(O)=O)NC=O Amb24602293 [0,2,0,0,0,0|0,0,1]=3 4354 B9R0.48 CC(CCN)CCC(O)=O Amb18124749 [0,2,0,0,0,0|1,0,1]=4 4355 B9R0.48 CC(CSC)=CCC(O)=O Amb25238257 [0,2,0,0,0,0|0,1,1]=4 4356 B9R0.48 CCCC(=O)NCC(=O)N Amb17231980 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.48 CCCC(=O)\C=C\C(O)=O Amb18643821 [0,2,0,0,0,0|0,0,2]=4 4358 B9R0.48 CCCC(Br)CCC(O)=O Amb24469305 [0,2,0,0,0,0|1,0,1]=4 4359 B9R0.48 CCCC(CCC(=O)O)N Amb1014101 [0,2,0,0,0,0|1,0,1]=4 4360 B9R0.48 CCCC(Cl)CCC(O)=O Amb23590328 [0,2,0,0,0,0|1,0,1]=4 4361 B9R0.48 CCCC(O)CCC(O)=O Amb17689110 [0,2,0,0,0,0|0,0,2]=4 4362 B9R0.48 CCCN(C)CCC(O)=O Amb19280988 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.48 CCCS(=O)CCC(C)=O Amb25196510 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.48 CCCS(=O)CCC(O)=O Amb18792575 [0,2,0,0,0,0|1,0,0]=3 4365 B9R0.48 CCC[C@@H](C)CCC(O)=O Amb24548514 [0,2,0,0,0,0|1,0,1]=4 4366 B9R0.48 CCC[C@H](C)CCC(O)=O Amb24446759 [0,2,0,0,0,0|1,0,1]=4 4367 B9R0.48 CCC[C@H](N)CCC(O)=O Amb25211817 [0,2,0,0,0,0|1,0,1]=4 4368 B9R0.48 CCNC(=N)NCC(O)=O Amb25263286 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.48 CCNC(=O)CCC(=O)C Amb17334212 [0,2,0,0,0,0|1,0,0]=3 4370 B9R0.48 CCNC(=O)CCC(=O)Cl Amb17142903 [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.48 CCNC(=O)CCC(=O)N Amb17142864 [0,2,0,0,0,0|1,0,0]=3 4372 B9R0.48 CCNC(=O)CCC(O)C Amb17334243 [0,2,0,0,0,0|1,0,1]=4 4373 B9R0.48 CCNC(=O)CCS(C)=O Amb24674872 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,2,0,0,0,0|1,0,0]=3 4375 B9R0.48 CCNC(=O)NCC(N)=O Amb24632867 [0,2,0,0,0,0|2,0,0]=4 4376 B9R0.48 CCNC(=O)SCC(O)=O Amb24390827 [0,2,0,0,0,0|1,0,0]=3 4377 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|0,0,2]=4 4378 B9R0.48 CCNC(=S)NCC(O)=O Amb25857780 [0,2,0,0,0,0|1,1,0]=4 4379 B9R0.48 CCNC(C)CCC(O)=O Amb24394614 [0,2,0,0,0,0|1,0,1]=4 4380 B9R0.48 CCOC(=O)C#CC(O)=O Amb25087505 [0,2,0,0,0,0|0,0,2]=4 4381 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [0,2,0,0,0,0|1,0,1]=4 4382 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,0]=2 4383 B9R0.48 CCOC(=O)CCC(C)Br Amb20618752 [0,2,0,0,0,0|1,0,1]=4 4384 B9R0.48 CCOC(=O)CCC(C)Cl Amb22229742 [0,2,0,0,0,0|1,0,1]=4 4385 B9R0.48 CCOC(=O)CCC(C)N Amb25690130 [0,2,0,0,0,0|1,0,1]=4 4386 B9R0.48 CCOC(=O)CCC(N)=N Amb24460710 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.48 CCOC(=O)CCC(N)=S Amb24479705 [0,2,0,0,0,0|1,1,0]=4 4388 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [0,2,0,0,0,0|1,0,0]=3 4389 B9R0.48 CCOC(=O)CCS(O)=O Amb24551974 [0,2,0,0,0,0|1,0,0]=3 4390 B9R0.48 CCOC(=O)CC[C@@H](C)N Amb24505134 [0,2,0,0,0,0|1,0,1]=4 4391 B9R0.48 CCOC(=O)CC[N+]([O-])=O Amb22739667 [0,2,0,0,0,0|1,0,1]=4 4392 B9R0.48 CCOC(=O)CC[S+](C)C Amb25719451 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.48 CCOC(=O)CNC(=O)C Amb1195867 [0,2,0,0,0,0|1,0,0]=3 4394 B9R0.48 CCOC(=O)CNC(=O)N Amb2438049 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.48 CCOC(=O)CNS(C)=O Amb24620369 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.48 CCOC(=O)COC(N)=O Amb25147628 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.48 CCOC(=O)CSC(=O)Cl Amb25174187 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.48 CCOC(=O)NCC(=O)Cl Amb25277113 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.48 CCOC(=O)OCC(O)=O Amb25367281 [0,2,0,0,0,0|1,0,0]=3 4400 B9R0.48 CCOC(=O)SCC(O)=O Amb24726215 [0,2,0,0,0,0|1,0,0]=3 4401 B9R0.48 CCOC(=O)[13CH2][15NH]C(=O)N Amb17614999 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.48 CCOC(=O)\C=C/C(O)=O Amb24462678 [0,2,0,0,0,0|0,0,2]=4 4403 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,2]=4 4404 B9R0.48 CCOC(=O)\C=C\C(O)=O Amb22351272 [0,2,0,0,0,0|0,0,2]=4 4405 B9R0.48 CCOC(=S)SCC(C)=O Amb17872265 [0,2,0,0,0,0|1,1,0]=4 4406 B9R0.48 CCOC(C)CCC(O)=O Amb24690847 [0,2,0,0,0,0|0,0,2]=4 4407 B9R0.48 CCOP(=O)CNC(C)=O Amb25260439 [0,2,0,0,0,0|2,0,0]=4 4408 B9R0.48 CCO\C(\C)=C/CC(C)=O Amb25713031 [0,2,0,0,0,0|1,0,1]=4 4409 B9R0.48 CCSC(=O)CCC(O)=O Amb24482232 [0,2,0,0,0,0|0,0,0]=2 4410 B9R0.48 CCSC(=O)NCC(=O)Cl Amb25082716 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.48 CCSC(=O)NCC(O)=O Amb25295471 [0,2,0,0,0,0|1,0,0]=3 4412 B9R0.48 CCSC(=O)SCC(N)=O Amb25724368 [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.48 CCSC(C)CCC(O)=O Amb18800669 [0,2,0,0,0,0|0,1,1]=4 4414 B9R0.48 CCS\C(\S)=N/CC(O)=O Amb21862600 [0,2,0,0,0,0|1,1,0]=4 4415 B9R0.48 CC\C=C(\C)/CCC(C)=O Amb24511429 [0,2,0,0,0,0|2,0,0]=4 4416 B9R0.48 CN(CCF)CCC(O)=O Amb25054517 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.48 CNCC(=O)NCC(O)=O Amb19010138 [0,2,0,0,0,0|1,0,0]=3 4418 B9R0.48 CNCC(=O)OCC(O)=O Amb25366854 [0,2,0,0,0,0|1,0,0]=3 4419 B9R0.48 CNCC(=O)SCC(O)=O Amb24550580 [0,2,0,0,0,0|1,0,0]=3 4420 B9R0.48 CNCC(O)CCC(O)=O Amb24745159 [0,2,0,0,0,0|0,0,2]=4 4421 B9R0.48 COCC(=O)CCC(C)N Amb24763448 [0,2,0,0,0,0|1,0,1]=4 4422 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,0]=3 4423 B9R0.48 COCC(=O)NCC(N)=O Amb25066089 [0,2,0,0,0,0|2,0,0]=4 4424 B9R0.48 COCC(=O)\C=C\C(O)=O Amb25835230 [0,2,0,0,0,0|0,0,2]=4 4425 B9R0.48 COCC(C)CCC(O)=O Amb25340432 [0,2,0,0,0,0|0,0,2]=4 4426 B9R0.48 COCC(O)CCC(C)=O Amb24438108 [0,2,0,0,0,0|0,0,2]=4 4427 B9R0.48 CONC(=O)CCC(C)N Amb24739232 [0,2,0,0,0,0|1,0,1]=4 4428 B9R0.48 CONC(=O)CCC(C)O Amb24340509 [0,2,0,0,0,0|0,0,2]=4 4429 B9R0.48 CONC(=O)CCN(C)C Amb25740107 [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.48 CONC(=O)\C=C\C(O)=O Amb25791595 [0,2,0,0,0,0|0,0,2]=4 4431 B9R0.48 CSS[C@@H](C)CCC(O)=O Amb25798967 [0,2,0,0,0,0|0,1,1]=4 4432 B9R0.48 CSS[C@H](C)CCC(O)=O Amb24652619 [0,2,0,0,0,0|0,1,1]=4 4433 B9R0.48 C[C@@H](CC=O)CCC(O)=O Amb24505022 [0,2,0,0,0,0|0,0,1]=3 4434 B9R0.48 C[C@@H](CCS)CCC(O)=O Amb24693959 [0,2,0,0,0,0|0,1,1]=4 4435 B9R0.48 C[C@H](CCBr)CCC(O)=O Amb24585993 [0,2,0,0,0,0|1,0,1]=4 4436 B9R0.48 C[C@H](CCO)CCC(C)=O Amb25319945 [0,2,0,0,0,0|1,0,1]=4 4437 B9R0.48 C\C(\CC=C)=C\CC(O)=O Amb24707088 [0,2,0,0,0,0|1,0,1]=4 4438 B9R0.48 C\C(\CCC(C)=C)=C/C=O Amb18643300 [0,2,0,0,0,0|2,0,0]=4 4439 B9R0.48 C\C(\CCC(C)=O)=C/CO Amb25142674 [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.48 C\C(\CCC(C)=O)=C\C#N Amb25060254 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.48 C\C(\CCC(C)=O)=C\CO Amb25172142 [0,2,0,0,0,0|1,0,0]=3 4442 B9R0.48 C\C(\CCC(O)=O)=C/C#C Amb24460669 [0,2,0,0,0,0|1,0,0]=3 4443 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [0,2,0,0,0,0|0,0,1]=3 4444 B9R0.48 C\C(\CCC(O)=O)=C\SC Amb24520805 [0,2,0,0,0,0|0,1,0]=3 4445 B9R0.48 C\C(\CSC)=C\CC(O)=O Amb18126246 [0,2,0,0,0,0|0,1,1]=4 4446 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [0,2,0,0,0,0|1,0,1]=4 4447 B9R0.48 C\C=C\C(=O)CCC(O)=O Amb24620816 [0,2,0,0,0,0|0,0,0]=2 4448 B9R0.48 C\C=C\C(=O)NCC(N)=O Amb25804890 [0,2,0,0,0,0|2,0,0]=4 4449 B9R0.48 C\C=C\C(=O)OCC(N)=O Amb24349666 [0,2,0,0,0,0|2,0,0]=4 4450 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [0,2,0,0,0,0|1,0,1]=4 4451 B9R0.48 C\C=C\C(O)CCC(O)=O Amb25275755 [0,2,0,0,0,0|0,0,2]=4 4452 B9R0.48 C\C=C\[C@H](O)CCC(C)=O Amb24749626 [0,2,0,0,0,0|1,0,1]=4 4453 B9R0.48 C\C=C\[C@H](O)CCC(O)=O Amb24538051 [0,2,0,0,0,0|0,0,2]=4 4454 B9R0.48 ClCCC(=O)NCC(=O)N Amb1133842 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.48 N#CCC(=O)CCC(O)=O Amb24053663 [0,2,0,0,0,0|0,0,0]=2 4456 B9R0.48 N#CCC(=O)NCC(O)=O Amb25789769 [0,2,0,0,0,0|1,0,0]=3 4457 B9R0.48 N#CCN(CCC(=O)O)C Amb17561163 [0,2,0,0,0,0|2,0,0]=4 4458 B9R0.48 N#CCS(=O)CCC(O)=O Amb19007165 [0,2,0,0,0,0|1,0,0]=3 4459 B9R0.48 N#CNC(=O)CCC(O)=O Amb25305300 [0,2,0,0,0,0|0,0,1]=3 4460 B9R0.48 NC(=O)CCS(=O)CC=O Amb24681397 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.48 NC(=O)CNC(=O)CCBr Amb25785163 [0,2,0,0,0,0|2,0,0]=4 4462 B9R0.48 NC(CC#N)=NCC(O)=O Amb24447194 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.48 NC(CC#N)CCC(O)=O Amb24595715 [0,2,0,0,0,0|1,0,1]=4 4464 B9R0.48 NC(CCC(O)=O)=CC#N Amb24459243 [0,2,0,0,0,0|1,0,1]=4 4465 B9R0.48 NC(CCS)CCC(O)=O Amb24453471 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.48 NCCC(=O)CCC(O)=O Amb25790735 [0,2,0,0,0,0|0,0,0]=2 4467 B9R0.48 NCCC(=O)NCC(=O)N Amb1135256 [0,2,0,0,0,0|2,0,0]=4 4468 B9R0.48 NCCS(=O)CCC(N)=O Amb25737235 [0,2,0,0,0,0|2,0,0]=4 4469 B9R0.48 NN(CCO)CCC(O)=O Amb25259231 [0,2,0,0,0,0|2,0,0]=4 4470 B9R0.48 NOCC(=O)NCC(O)=O Amb25359771 [0,2,0,0,0,0|1,0,0]=3 4471 B9R0.48 N[C@@H](CCO)CCC(O)=O Amb25756968 [0,2,0,0,0,0|1,0,1]=4 4472 B9R0.48 N[C@H](CC#N)CCC(O)=O Amb24541852 [0,2,0,0,0,0|1,0,1]=4 4473 B9R0.48 N\C(\CCC(O)=O)=C/C#N Amb24053667 [0,2,0,0,0,0|1,0,1]=4 4474 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [0,2,0,0,0,0|0,0,1]=3 4475 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [0,2,0,0,0,0|0,0,0]=2 4476 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [0,2,0,0,0,0|0,0,0]=2 4477 B9R0.48 OC(=O)CCS(=O)CCF Amb25040432 [0,2,0,0,0,0|1,0,0]=3 4478 B9R0.48 OC(=O)CNC(=O)CCBr Amb25258869 [0,2,0,0,0,0|1,0,0]=3 4479 B9R0.48 OC(=O)CNC(=O)CCO Amb24745672 [0,2,0,0,0,0|1,0,0]=3 4480 B9R0.48 OC(=O)CNC(=O)CCS Amb18126369 [0,2,0,0,0,0|1,0,0]=3 4481 B9R0.48 OC(=O)COC(=O)CCCl Amb25241988 [0,2,0,0,0,0|1,0,0]=3 4482 B9R0.48 OC(=O)COC(=O)CCS Amb24482372 [0,2,0,0,0,0|1,0,0]=3 4483 B9R0.48 OC(=O)\C=C\C(=O)CC=O Amb18643788 [0,2,0,0,0,0|0,0,2]=4 4484 B9R0.48 OC(CCS)CCC(O)=O Amb25320980 [0,2,0,0,0,0|0,0,2]=4 4485 B9R0.48 OCC[C@H](O)CCC(O)=O Amb25843738 [0,2,0,0,0,0|0,0,2]=4 4486 B9R0.48 [N-]=[N+]=CC(=O)COC(=O)C Amb17593580 [0,2,0,0,0,0|2,0,0]=4 4487 B9R0.48 [N-]=[N+]=NC(=O)CCC(N)=O Amb24477439 [0,2,0,0,0,0|2,0,0]=4 4488 B9R0.48 [N-]=[N+]=NC(=O)CCC(O)=O Amb25690420 [0,2,0,0,0,0|1,0,0]=3 4489 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.64 CC(=O)CCC(C)(O)C=C Amb25087724 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.64 CC(=O)CCC(C)(O)CO Amb25713212 [0,2,0,0,0,0|0,0,2]=4 4492 B9R0.64 CC(=O)OCP(C)(=O)CO Amb24464309 [0,2,0,0,0,0|2,0,0]=4 4493 B9R0.64 CC(=O)OCP(O)(=O)CO Amb24543568 [0,2,0,0,0,0|2,0,0]=4 4494 B9R0.64 CC(C)(CCC(O)=O)C#C Amb24480418 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.64 CC(C)(CCC(O)=O)C=O Amb18644118 [0,2,0,0,0,0|0,0,1]=3 4496 B9R0.64 CC(C)(CCC(O)=O)N=O Amb24428514 [0,2,0,0,0,0|0,0,1]=3 4497 B9R0.64 CC(Cl)(CCC(O)=O)N=O Amb24423829 [0,2,0,0,0,0|0,0,1]=3 4498 B9R0.64 CC(O)(CCC(O)=O)CO Amb25108439 [0,2,0,0,0,0|0,0,2]=4 4499 B9R0.64 CCC(C)(C)CCC(O)=O Amb18644164 [0,2,0,0,0,0|1,0,1]=4 4500 B9R0.64 CCC(C)(O)CCC(O)=O Amb25317242 [0,2,0,0,0,0|0,0,2]=4 4501 B9R0.64 CCS(=O)(=O)NCC(=O)O Amb1112815 [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.64 CC[C@@](C)(O)CCC(O)=O Amb24461550 [0,2,0,0,0,0|0,0,2]=4 4503 B9R0.64 CC[Si](C)(C)CCC(O)=O Amb24482202 [0,2,0,0,0,0|1,1,0]=4 4504 B9R0.64 CNS(=O)(=O)NCC(O)=O Amb25756106 [0,2,0,0,0,0|2,0,0]=4 4505 B9R0.64 COC(C)(C)CCC(C)=O Amb25767114 [0,2,0,0,0,0|1,0,1]=4 4506 B9R0.64 COP(C)(=O)CCC(C)=O Amb25707535 [0,2,0,0,0,0|1,0,0]=3 4507 B9R0.64 COP(C)(=O)CCC(N)=O Amb24633997 [0,2,0,0,0,0|2,0,0]=4 4508 B9R0.64 COP(C)(=O)CCC(O)=O Amb25288153 [0,2,0,0,0,0|1,0,0]=3 4509 B9R0.64 COP(O)(=O)CCC(C)=O Amb24435493 [0,2,0,0,0,0|1,0,0]=3 4510 B9R0.64 C[Si](C)(CCl)CCC(O)=O Amb25337752 [0,2,0,0,0,0|1,1,0]=4 4511 B9R0.64 NCC(O)(O)CCC(O)=O Amb24401314 [0,2,0,0,0,0|0,0,2]=4 4512 B9R0.64 NCP(=O)(CCC(=O)O)O Amb1807904 [0,2,0,0,0,0|1,0,0]=3 4513 B9R0.64 NNS(=O)(=O)CCC(O)=O Amb25373529 [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.64 OC(=O)CCC(F)(F)CBr Amb25766479 [0,2,0,0,0,0|1,0,1]=4 4515 B9R0.64 OCP(O)(=O)CCC(O)=O Amb24482433 [0,2,0,0,0,0|1,0,0]=3 4516 B9R0.64 ONS(=O)(=O)CCC(O)=O Amb25145658 [0,2,0,0,0,0|2,0,0]=4 4517 B9R0.10 CC(C)(C)C(Br)CC(O)=O Amb25075478 [0,2,0,0,0,0|1,0,1]=4 4518 B9R0.10 CC(C)(C)C(F)CC(O)=O Amb25282886 [0,2,0,0,0,0|1,0,1]=4 4519 B9R0.10 CC(C)(C)[C@@H](N)CC(O)=O Amb19888358 [0,2,0,0,0,0|1,0,1]=4 4520 B9R0.10 CC(C)(C)[C@@H](O)CC(O)=O Amb24505172 [0,2,0,0,0,0|1,0,1]=4 4521 B9R0.10 CC(C)(C)[C@H](N)CC(O)=O Amb19887644 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.10 CC(C)(O)C(O)CC(O)=O Amb25808868 [0,2,0,0,0,0|0,0,2]=4 4523 B9R0.10 CC(CC(C)=O)S(C)(=O)=O Amb24576104 [0,2,0,0,0,0|1,0,1]=4 4524 B9R0.10 CC(CC(O)=O)C(C)(C)N Amb19651352 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.10 CC(CC(O)=O)C(C)(C)N Amb21961488 [0,2,0,0,0,0|1,0,1]=4 4526 B9R0.10 CC(CC(O)=O)C(C)(F)F Amb25241872 [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [0,2,0,0,0,0|1,0,0]=3 4528 B9R0.10 CC(CC(O)=O)S(C)(=O)=O Amb18971621 [0,2,0,0,0,0|1,0,0]=3 4529 B9R0.10 C[C@H](CC(O)=O)C(C)(C)C Amb24409482 [0,2,0,0,0,0|1,0,1]=4 4530 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [0,2,0,0,0,0|2,0,0]=4 4531 B9R0.10 NC(CC(N)=O)P(O)(O)=O Amb24429099 [0,2,0,0,0,0|2,0,0]=4 4532 B9R0.10 N[C@@H](CC(N)=O)P(O)(O)=O Amb25069249 [0,2,0,0,0,0|2,0,0]=4 4533 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [0,2,0,0,0,0|2,0,0]=4 4534 B9R0.10 OC(=O)CN(S(=O)(=O)C)C Amb1111612 [0,2,0,0,0,0|2,0,0]=4 4535 B9R0.10 OC(C(C)(C)C)CC(=O)O Amb17232006 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.11 CC(=C)C(C)(C)CC(N)=O Amb24470518 [0,2,0,0,0,0|2,0,0]=4 4537 B9R0.11 CC(=C)C(C)(C)CC(O)=O Amb25703730 [0,2,0,0,0,0|1,0,0]=3 4538 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,2,0,0,0,0|1,0,0]=3 4539 B9R0.11 CC(=C)CC(C)(O)C(O)=O Amb24763776 [0,2,0,0,0,0|1,0,0]=3 4540 B9R0.11 CC(=C)C[C@@](C)(F)C(O)=O Amb25378746 [0,2,0,0,0,0|1,0,0]=3 4541 B9R0.11 CC(=C)C[C@](C)(N)C(N)=O Amb24763791 [0,2,0,0,0,0|2,0,0]=4 4542 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,2,0,0,0,0|0,0,0]=2 4543 B9R0.11 CC(=O)C(C)(C)CC(=O)Cl Amb24690787 [0,2,0,0,0,0|1,0,0]=3 4544 B9R0.11 CC(=O)C(C)(C)CC(C)=C Amb25773408 [0,2,0,0,0,0|2,0,0]=4 4545 B9R0.11 CC(=O)C(C)(C)CC(C)=O Amb25771077 [0,2,0,0,0,0|1,0,0]=3 4546 B9R0.11 CC(=O)C(C)(C)SC(C)=O Amb25735110 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,2,0,0,0,0|0,0,0]=2 4548 B9R0.11 CC(=O)CC(C)(C)C(N)=O Amb25737091 [0,2,0,0,0,0|1,0,0]=3 4549 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,2,0,0,0,0|0,0,0]=2 4550 B9R0.11 CC(=O)CC(C)(C)[N+]([O-])=O Amb25286951 [0,2,0,0,0,0|1,0,1]=4 4551 B9R0.11 CC(=O)NC(C(=O)O)(C)C Amb13952726 [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.11 CC(=O)NC(C)(C)C(N)=O Amb25147607 [0,2,0,0,0,0|2,0,0]=4 4553 B9R0.11 CC(=O)NC(O)(Cl)C(O)=O Amb25772842 [0,2,0,0,0,0|1,0,0]=3 4554 B9R0.11 CC(=O)N[C@](C)(S)C(O)=O Amb25793169 [0,2,0,0,0,0|1,0,0]=3 4555 B9R0.11 CC(=O)OC(C)(C)C(N)=O Amb25730514 [0,2,0,0,0,0|2,0,0]=4 4556 B9R0.11 CC(=O)OC(C)(C)C(O)=O Amb18644243 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.11 CC(=O)SC(C(=O)O)(C)C Amb17607677 [0,2,0,0,0,0|1,0,0]=3 4558 B9R0.11 CC(=O)[C@](C)(O)CC(C)=O Amb25738871 [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.11 CC(=S)C(C)(C)CC(O)=O Amb25227469 [0,2,0,0,0,0|0,1,0]=3 4560 B9R0.11 CC(C)(CC(=O)Cl)C(=O)Cl Amb24528594 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,2,0,0,0,0|1,0,0]=3 4562 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.11 CC(C)=CC(C)(O)C(O)=O Amb24666586 [0,2,0,0,0,0|1,0,1]=4 4564 B9R0.11 CC(C)C(C)(C)CC(O)=O Amb18124695 [0,2,0,0,0,0|1,0,1]=4 4565 B9R0.11 CC(C)C(C)(F)CC(O)=O Amb24665956 [0,2,0,0,0,0|1,0,1]=4 4566 B9R0.11 CC(C)C(C)(O)CC(O)=O Amb18991699 [0,2,0,0,0,0|1,0,1]=4 4567 B9R0.11 CC(C)CC(C)(O)C(O)=O Amb18523766 [0,2,0,0,0,0|1,0,1]=4 4568 B9R0.11 CC(C)CC(F)(F)C(O)=O Amb25773701 [0,2,0,0,0,0|1,0,1]=4 4569 B9R0.11 CC(C)C[C@@](C)(O)C(O)=O Amb25744207 [0,2,0,0,0,0|1,0,1]=4 4570 B9R0.11 CC(C)C[C@](C)(O)C(O)=O Amb24763710 [0,2,0,0,0,0|1,0,1]=4 4571 B9R0.11 CC(C)[C@@](C)(N)CC(O)=O Amb19929555 [0,2,0,0,0,0|1,0,1]=4 4572 B9R0.11 CC(C)[C@](C)(N)CC(O)=O Amb19929556 [0,2,0,0,0,0|1,0,1]=4 4573 B9R0.11 CC(CC(C(=O)O)(C)C)C Amb10843993 [0,2,0,0,0,0|1,0,1]=4 4574 B9R0.11 CC(C[C@@](C(=O)O)(N)C)C Amb10066904 [0,2,0,0,0,0|1,0,1]=4 4575 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,2,0,0,0,0|1,0,0]=3 4576 B9R0.11 CC(N)(CC(N)=O)C(N)=O Amb24436628 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,2,0,0,0,0|1,0,0]=3 4578 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,2,0,0,0,0|1,0,0]=3 4580 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,2,0,0,0,0|1,0,0]=3 4582 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O Amb22353060 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.11 CC(O)CC(C)(C)C(O)=O Amb25230577 [0,2,0,0,0,0|0,0,2]=4 4584 B9R0.11 CC(O)CC(C)(O)C(O)=O Amb25265252 [0,2,0,0,0,0|0,0,2]=4 4585 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,2,0,0,0,0|1,0,0]=3 4586 B9R0.11 CN(C)CC(C)(N)C(O)=O Amb18294465 [0,2,0,0,0,0|2,0,0]=4 4587 B9R0.11 CN(C)CC(C)(O)C(O)=O Amb24480768 [0,2,0,0,0,0|2,0,0]=4 4588 B9R0.11 CN(C)CC(F)(F)C(O)=O Amb25857752 [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.11 CN(C)C[C@](C)(O)C(O)=O Amb24460062 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.11 CN(CC(C(=O)O)(C)C)C Amb17334247 [0,2,0,0,0,0|2,0,0]=4 4591 B9R0.11 C[C@@](N)(CC(=C)F)C(O)=O Amb24479080 [0,2,0,0,0,0|1,0,1]=4 4592 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,2,0,0,0,0|1,0,0]=3 4593 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,2,0,0,0,0|1,0,0]=3 4594 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [0,2,0,0,0,0|1,0,0]=3 4595 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,2,0,0,0,0|1,0,0]=3 4596 B9R0.11 O=C(Cl)C(F)(F)CC(=O)Cl Amb25211907 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,2,0,0,0,0|1,0,0]=3 4600 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,2,0,0,0,0|1,0,0]=3 4601 B9R0.11 OC(=O)CC(C(=S)N)(C)C Amb17466449 [0,2,0,0,0,0|1,1,0]=4 4602 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,2,0,0,0,0|1,0,0]=3 4603 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,2,0,0,0,0|1,0,0]=3 4605 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,2,0,0,0,0|1,0,0]=3 4606 B9R0.39 CC(=C)CC(=NO)C(O)=O Amb25757532 [0,2,0,0,0,0|1,0,1]=4 4607 B9R0.39 CC(=C)CC(CC)C(N)=O Amb24668456 [0,2,0,0,0,0|2,0,0]=4 4608 B9R0.39 CC(=C)CC(CC)C(O)=O Amb24480742 [0,2,0,0,0,0|1,0,0]=3 4609 B9R0.39 CC(=O)C(C=C)OC(C)=O Amb25735135 [0,2,0,0,0,0|2,0,0]=4 4610 B9R0.39 CC(=O)C(CC(C)=O)C#N Amb25129050 [0,2,0,0,0,0|1,0,0]=3 4611 B9R0.39 CC(=O)C(CC(C)=O)C=C Amb24662555 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [0,2,0,0,0,0|0,0,0]=2 4613 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [0,2,0,0,0,0|0,0,0]=2 4614 B9R0.39 CC(=O)C(CS)NC(C)=O Amb25053025 [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [0,2,0,0,0,0|0,0,0]=2 4616 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,2,0,0,0,0|0,0,0]=2 4617 B9R0.39 CC(=O)CN(N=O)C(N)=O Amb25771069 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.39 CC(=O)N(CC(N)=O)CC Amb24719895 [0,2,0,0,0,0|2,0,0]=4 4619 B9R0.39 CC(=O)NC(C#N)C(O)=O Amb25147351 [0,2,0,0,0,0|1,0,0]=3 4620 B9R0.39 CC(=O)NC(C=C)C(O)=O Amb18124622 [0,2,0,0,0,0|1,0,0]=3 4621 B9R0.39 CC(=O)NC(CC)C(N)=O Amb24352660 [0,2,0,0,0,0|2,0,0]=4 4622 B9R0.39 CC(=O)NC(CCl)C(N)=O Amb24411046 [0,2,0,0,0,0|2,0,0]=4 4623 B9R0.39 CC(=O)NC(CN)C(N)=O Amb24558471 [0,2,0,0,0,0|2,0,0]=4 4624 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [0,2,0,0,0,0|2,0,0]=4 4625 B9R0.39 CC(=O)NC(SC)C(O)=O Amb24482255 [0,2,0,0,0,0|1,0,0]=3 4626 B9R0.39 CC(=O)N[C@@H](CN)C(O)=O Amb24479068 [0,2,0,0,0,0|1,0,0]=3 4627 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O Amb22746917 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [0,2,0,0,0,0|2,0,0]=4 4629 B9R0.39 CC(=O)N[C@H](CC)C(N)=O Amb25768366 [0,2,0,0,0,0|2,0,0]=4 4630 B9R0.39 CC(=O)N[C@H](CO)C(N)=O Amb25791565 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.39 CC(=O)N[C@H](CO)C(O)=O Amb22886955 [0,2,0,0,0,0|1,0,0]=3 4632 B9R0.39 CC(=O)N\C(=C/Br)\C(O)=O Amb24444857 [0,2,0,0,0,0|1,0,1]=4 4633 B9R0.39 CC(=O)N\C(=C/C)\C(O)=O Amb24669908 [0,2,0,0,0,0|1,0,1]=4 4634 B9R0.39 CC(=O)OC(C=C)C(N)=O Amb24758986 [0,2,0,0,0,0|2,0,0]=4 4635 B9R0.39 CC(=O)OC(C=C)C(O)=O Amb24410879 [0,2,0,0,0,0|1,0,0]=3 4636 B9R0.39 CC(=O)OC(CC)C(N)=O Amb25274332 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.39 CC(=O)OC(CC)C(O)=O Amb18644246 [0,2,0,0,0,0|1,0,0]=3 4638 B9R0.39 CC(=O)OC(CN)C(O)=O Amb25082692 [0,2,0,0,0,0|1,0,0]=3 4639 B9R0.39 CC(=O)OC(SC)C(O)=O Amb25061355 [0,2,0,0,0,0|1,0,0]=3 4640 B9R0.39 CC(=O)O[C@@H](CC)C(N)=O Amb25709607 [0,2,0,0,0,0|2,0,0]=4 4641 B9R0.39 CC(=O)S[C@@H](CC)C(O)=O Amb24738694 [0,2,0,0,0,0|1,0,0]=3 4642 B9R0.39 CC(Br)=CC(ON)C(O)=O Amb25218261 [0,2,0,0,0,0|1,0,1]=4 4643 B9R0.39 CC(C)=C(CC(O)=O)C#N Amb25848479 [0,2,0,0,0,0|1,0,1]=4 4644 B9R0.39 CC(C)=C(CC(O)=O)C=O Amb18643815 [0,2,0,0,0,0|1,0,1]=4 4645 B9R0.39 CC(C)=CC(OC)C(O)=O Amb20621506 [0,2,0,0,0,0|1,0,1]=4 4646 B9R0.39 CC(C)C(CC(O)=O)C#N Amb25818234 [0,2,0,0,0,0|1,0,1]=4 4647 B9R0.39 CC(C)C(CC(O)=O)C=C Amb18643903 [0,2,0,0,0,0|1,0,1]=4 4648 B9R0.39 CC(C)C(CC(O)=O)CC Amb18304202 [0,2,0,0,0,0|1,0,1]=4 4649 B9R0.39 CC(C)C(CC(O)=O)SC Amb25858344 [0,2,0,0,0,0|1,0,1]=4 4650 B9R0.39 CC(C)CC(C#N)C(O)=O Amb23558965 [0,2,0,0,0,0|1,0,1]=4 4651 B9R0.39 CC(C)CC(CC)C(O)=O Amb19014184 [0,2,0,0,0,0|1,0,1]=4 4652 B9R0.39 CC(C)CC(CF)C(O)=O Amb24596212 [0,2,0,0,0,0|1,0,1]=4 4653 B9R0.39 CC(C)CC(CN)C(O)=O Amb19021764 [0,2,0,0,0,0|1,0,1]=4 4654 B9R0.39 CC(C)CC(CO)C(O)=O Amb18124780 [0,2,0,0,0,0|1,0,1]=4 4655 B9R0.39 CC(C)CC(NC)C(O)=O Amb22274694 [0,2,0,0,0,0|1,0,1]=4 4656 B9R0.39 CC(C)CC(NN)C(O)=O Amb18644273 [0,2,0,0,0,0|1,0,1]=4 4657 B9R0.39 CC(C)CC(ON)C(O)=O Amb18644321 [0,2,0,0,0,0|1,0,1]=4 4658 B9R0.39 CC(C)C[C@@H](CN)C(O)=O Amb22756732 [0,2,0,0,0,0|1,0,1]=4 4659 B9R0.39 CC(C)C[C@@H](CN)C(O)=O Amb22756740 [0,2,0,0,0,0|1,0,1]=4 4660 B9R0.39 CC(C)C[C@@H](NC)C(O)=O Amb22745995 [0,2,0,0,0,0|1,0,1]=4 4661 B9R0.39 CC(C)C[C@H](CO)C(O)=O Amb25214140 [0,2,0,0,0,0|1,0,1]=4 4662 B9R0.39 CC(C)C[C@H](NCl)C(O)=O Amb24563420 [0,2,0,0,0,0|1,0,1]=4 4663 B9R0.39 CC(C)C[C@H](ON)C(O)=O Amb24505012 [0,2,0,0,0,0|1,0,1]=4 4664 B9R0.39 CC(N)C(CC(O)=O)CC Amb23536772 [0,2,0,0,0,0|1,0,1]=4 4665 B9R0.39 CC(O)C(CC(O)=O)CC Amb18831453 [0,2,0,0,0,0|0,0,2]=4 4666 B9R0.39 CC(O)C(CC(O)=O)NC Amb24400678 [0,2,0,0,0,0|0,0,2]=4 4667 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,2,0,0,0,0|1,0,0]=3 4668 B9R0.39 CCC(C(=O)O)NC(=O)C Amb2099651 [0,2,0,0,0,0|1,0,0]=3 4669 B9R0.39 CCC(CC(O)=O)N(C)C Amb18316272 [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [0,2,0,0,0,0|2,0,0]=4 4671 B9R0.39 CCC(NS(C)=O)C(O)=O Amb25177157 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.39 CCC(OC(C)=O)C(C)=O Amb25276388 [0,2,0,0,0,0|2,0,0]=4 4673 B9R0.39 CCN(C(=O)C)CC(=O)O Amb17399887 [0,2,0,0,0,0|1,0,0]=3 4674 B9R0.39 CCN(CC(C)=O)C(C)=O Amb24096587 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.39 CCN(CC(O)=O)C(N)=O Amb18999255 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.39 CCN(CC(O)=O)S(C)=O Amb25177156 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.39 CC[C@@H](NC(N)=O)C(O)=O Amb24715718 [0,2,0,0,0,0|2,0,0]=4 4678 B9R0.39 CC[C@@H](NS(C)=O)C(O)=O Amb25177158 [0,2,0,0,0,0|2,0,0]=4 4679 B9R0.39 CC[C@@H](OC(C)=O)C(C)=O Amb24504997 [0,2,0,0,0,0|2,0,0]=4 4680 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,2,0,0,0,0|1,0,0]=3 4681 B9R0.39 CC[C@H](NC(N)=O)C(O)=O Amb24538029 [0,2,0,0,0,0|2,0,0]=4 4682 B9R0.39 CC[C@H](OC(C)=O)C(C)=O Amb24571835 [0,2,0,0,0,0|2,0,0]=4 4683 B9R0.39 CN(C)C(CC(O)=O)CO Amb18202308 [0,2,0,0,0,0|2,0,0]=4 4684 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,2,0,0,0,0|1,0,0]=3 4685 B9R0.39 CNC(CC(N)=O)C(N)=O Amb25680930 [0,2,0,0,0,0|2,0,0]=4 4686 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,2,0,0,0,0|1,0,0]=3 4687 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [0,2,0,0,0,0|2,0,0]=4 4688 B9R0.39 CN[C@@H](C(=O)O)CC(C)C Amb10842218 [0,2,0,0,0,0|1,0,1]=4 4689 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,2,0,0,0,0|1,0,0]=3 4690 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [0,2,0,0,0,0|2,0,0]=4 4691 B9R0.39 CN[C@H](C(=O)O)CC(C)C Amb16183858 [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.39 COC(CC(N)=O)C(N)=O Amb24685112 [0,2,0,0,0,0|2,0,0]=4 4693 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [0,2,0,0,0,0|1,0,0]=3 4694 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,2,0,0,0,0|1,0,0]=3 4695 B9R0.39 COC(NC(N)=O)C(O)=O Amb18124866 [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.39 COC(OC(C)=O)C(C)=O Amb25146803 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.39 CON(CC(O)=O)C(N)=O Amb24359859 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.39 CO[C@@H](CC(N)=O)C(N)=O Amb25268728 [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,2,0,0,0,0|1,0,0]=3 4700 B9R0.39 CS(=O)N[C@@H](CO)C(O)=O Amb24583469 [0,2,0,0,0,0|2,0,0]=4 4701 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,2,0,0,0,0|1,0,0]=3 4702 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,2,0,0,0,0|1,0,0]=3 4703 B9R0.39 CSC(NC(N)=O)C(O)=O Amb18126402 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,2,0,0,0,0|1,0,0]=3 4705 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,2,0,0,0,0|1,0,0]=3 4706 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,2,0,0,0,0|1,0,0]=3 4707 B9R0.39 C[C@H](O)[C@@H](CC(O)=O)NC Amb24460369 [0,2,0,0,0,0|0,0,2]=4 4708 B9R0.39 C\C(\Cl)=C/C(ON)C(O)=O Amb24390358 [0,2,0,0,0,0|1,0,1]=4 4709 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,2,0,0,0,0|1,0,1]=4 4710 B9R0.39 N#CC(C(=O)N)NC(=O)C Amb1046298 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,2,0,0,0,0|1,0,0]=3 4712 B9R0.39 NC(=O)C(CC(N)=O)C#N Amb25147452 [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.39 NC(=O)N(CC(O)=O)N=O Amb25683110 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.39 NC(=O)N[C@@H](CN)C(O)=O Amb25083442 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.39 NC(=O)N[C@@H](CO)C(O)=O Amb24505082 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.39 NC(=O)N[C@H](CN)C(O)=O Amb24478873 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.39 NC(=O)N[C@H](CO)C(O)=O Amb25147528 [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,2,0,0,0,0|1,0,0]=3 4719 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,2,0,0,0,0|1,0,0]=3 4720 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,2,0,0,0,0|1,0,0]=3 4721 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,2,0,0,0,0|1,0,0]=3 4722 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,2,0,0,0,0|1,0,0]=3 4723 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,2,0,0,0,0|1,0,0]=3 4726 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,2,0,0,0,0|1,0,0]=3 4727 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,2,0,0,0,0|1,0,0]=3 4728 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,2,0,0,0,0|1,0,0]=3 4729 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,2,0,0,0,0|1,0,0]=3 4730 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,2,0,0,0,0|1,0,0]=3 4731 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,2,0,0,0,0|1,0,1]=4 4732 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,2,0,0,0,0|1,0,1]=4 4733 B9R0.39 OCC(C(=O)O)NC(=O)C Amb1115493 [0,2,0,0,0,0|1,0,0]=3 4734 B9R0.39 OCC(C(=O)O)NC(=O)N Amb1055147 [0,2,0,0,0,0|2,0,0]=4 4735 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,2,0,0,0,0|1,0,0]=3 4736 B9R0.39 SCC(C(=O)O)NC(=O)C Amb1112748 [0,2,0,0,0,0|1,0,0]=3 4737 B9R0.39 SCC(C(=O)O)NC(=O)N Amb1119403 [0,2,0,0,0,0|2,0,0]=4 4738 B9R0.39 SC[C@@H](C(=O)O)NC(=O)N Amb17610484 [0,2,0,0,0,0|2,0,0]=4 4739 B9R0.57 CC(=O)C(=O)CP(O)(O)=O Amb25146850 [0,2,0,0,0,0|1,0,1]=4 4740 B9R0.57 CC(=O)C(Cl)CS(C)(=O)=O Amb25227540 [0,2,0,0,0,0|1,0,1]=4 4741 B9R0.57 CC(C)(C)CC(Br)C(O)=O Amb25324184 [0,2,0,0,0,0|1,0,1]=4 4742 B9R0.57 CC(C)(C)CC(Cl)C(O)=O Amb25281140 [0,2,0,0,0,0|1,0,1]=4 4743 B9R0.57 CC(C)(C)CC(F)C(O)=O Amb25107249 [0,2,0,0,0,0|1,0,1]=4 4744 B9R0.57 CC(C)(C)CC(O)C(O)=O Amb18302187 [0,2,0,0,0,0|1,0,1]=4 4745 B9R0.57 CC(C)(C)C[C@@H](O)C(O)=O Amb22057813 [0,2,0,0,0,0|1,0,1]=4 4746 B9R0.57 CC(C)(C)C[C@H](O)C(O)=O Amb25727583 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.57 CC(C)(Cl)C[C@H](N)C(O)=O Amb24711368 [0,2,0,0,0,0|1,0,1]=4 4748 B9R0.57 CC(C)(F)C[C@@H](N)C(O)=O Amb24055873 [0,2,0,0,0,0|1,0,1]=4 4749 B9R0.57 CC(C)(N)CC(N)C(O)=O Amb25195464 [0,2,0,0,0,0|1,0,1]=4 4750 B9R0.57 CC(C)(O)CC(N)C(O)=O Amb18644326 [0,2,0,0,0,0|0,0,2]=4 4751 B9R0.57 CC(C)(O)C[C@@H](N)C(O)=O Amb24479570 [0,2,0,0,0,0|0,0,2]=4 4752 B9R0.57 CC(CC(C)(C)C)C(O)=O Amb18124693 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.57 CC(CC(C)(C)N)C(O)=O Amb22364426 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.57 CC(CC(C)(C)O)C(C)=O Amb25141586 [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.57 CC(CC(C)(C)O)C(O)=O Amb24529313 [0,2,0,0,0,0|0,0,2]=4 4756 B9R0.57 CC(CS(=O)(=O)Cl)C(O)=O Amb25243850 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.57 CC(CS(C)(=O)=O)C(N)=O Amb25822080 [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.57 CC(CS(C)(=O)=O)C(O)=O Amb18971622 [0,2,0,0,0,0|1,0,0]=3 4759 B9R0.57 CC(CS(N)(=O)=O)C(O)=O Amb18563379 [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.57 CC(F)(F)CC(S)C(O)=O Amb24677777 [0,2,0,0,0,0|1,0,1]=4 4762 B9R0.57 CC(OP(O)(O)=O)C(C)=O Amb24450163 [0,2,0,0,0,0|2,0,0]=4 4763 B9R0.57 CS(=N)(=O)CC(N)C(O)=O Amb24732321 [0,2,0,0,0,0|1,0,0]=3 4764 B9R0.57 CS(=O)(=O)CC(=C)C(O)=O Amb24433611 [0,2,0,0,0,0|1,0,1]=4 4765 B9R0.57 CS(=O)(=O)CC(O)C(O)=O Amb24398186 [0,2,0,0,0,0|1,0,0]=3 4766 B9R0.57 C[C@@H](CS(C)(=O)=O)C(O)=O Amb24652197 [0,2,0,0,0,0|1,0,0]=3 4767 B9R0.57 C[C@@H](NS(C)(=O)=O)C(O)=O Amb18792765 [0,2,0,0,0,0|2,0,0]=4 4768 B9R0.57 C[C@@H](OS(C)(=O)=O)C(O)=O Amb22746830 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.57 C[C@H](CS(C)(=O)=O)C(O)=O Amb24436447 [0,2,0,0,0,0|1,0,0]=3 4770 B9R0.57 C[C@H](OS(C)(=O)=O)C(O)=O Amb25701707 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.57 C[N+](C)(C)CC(Br)C(O)=O Amb24079933 [0,2,0,0,0,0|2,0,0]=4 4772 B9R0.57 C[S@](=N)(=O)C[C@H](N)C(O)=O Amb25749061 [0,2,0,0,0,0|1,0,0]=3 4773 B9R0.57 C[Si](C)(C)C[C@H](N)C(O)=O Amb24482244 [0,2,0,0,0,0|1,1,0]=4 4774 B9R0.57 C[Si](C)(O)CC(N)C(O)=O Amb25060652 [0,2,0,0,0,0|0,1,1]=4 4775 B9R0.57 NC(CS(O)(=O)=O)C(N)=O Amb25803913 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.57 N[C@@H](C(=O)O)CC(C)(C)C Amb16184025 [0,2,0,0,0,0|1,0,1]=4 4778 B9R0.57 N[C@@H](CS(=O)(=O)S)C(O)=O Amb24463064 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.57 N[C@@H](CS(O)(=O)=O)C(N)=O Amb25697195 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.57 OC(=O)C(Cl)CS(=O)(=O)Cl Amb25227218 [0,2,0,0,0,0|2,0,0]=4 4782 B9R0.57 OC(=O)C(F)CS(=O)(=O)Cl Amb24595029 [0,2,0,0,0,0|2,0,0]=4 4783 B9R0.57 OC(=O)C(NS(=O)(=O)C)C Amb1116653 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [0,2,0,0,0,0|0,0,1]=3 4785 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [0,2,0,0,0,0|2,0,0]=4 4787 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,2,0,0,0,0|1,0,1]=4 4788 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,2,0,0,0,0|1,0,1]=4 4789 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,2,0,0,0,0|1,0,1]=4 4790 B9R0.79 CC(=C)C(O)C(C)C(O)=O Amb18644101 [0,2,0,0,0,0|1,0,0]=3 4791 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,2,0,0,0,0|1,0,0]=3 4792 B9R0.79 CC(=C)[C@@H](O)[C@H](C)C(O)=O Amb24599978 [0,2,0,0,0,0|1,0,0]=3 4793 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,2,0,0,0,0|1,0,0]=3 4794 B9R0.79 CC(=C)[C@H](O)[C@@H](C)C(O)=O Amb25111582 [0,2,0,0,0,0|1,0,0]=3 4795 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,2,0,0,0,0|0,0,1]=3 4796 B9R0.79 CC(=O)C(C)=C(C)C(O)=O Amb25273854 [0,2,0,0,0,0|0,0,2]=4 4797 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,2,0,0,0,0|0,0,0]=2 4798 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,2,0,0,0,0|0,0,0]=2 4799 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,2,0,0,0,0|0,0,0]=2 4800 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,2,0,0,0,0|0,0,0]=2 4801 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,2,0,0,0,0|0,0,0]=2 4802 B9R0.79 CC(=O)N(C)C(=C)C(O)=O Amb24117538 [0,2,0,0,0,0|1,0,1]=4 4803 B9R0.79 CC(=O)N(C)C(C)C(N)=O Amb25147335 [0,2,0,0,0,0|2,0,0]=4 4804 B9R0.79 CC(=O)N(C)C(C)C(O)=O Amb18288022 [0,2,0,0,0,0|1,0,0]=3 4805 B9R0.79 CC(=O)N(C)[C@@H](C)C(N)=O Amb24427958 [0,2,0,0,0,0|2,0,0]=4 4806 B9R0.79 CC(=O)N(C)[C@@H](C)C(O)=O Amb25709201 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.79 CC(=O)N(C)[C@H](C)C(N)=O Amb24372366 [0,2,0,0,0,0|2,0,0]=4 4808 B9R0.79 CC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb25146730 [0,2,0,0,0,0|1,0,0]=3 4809 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,2,0,0,0,0|0,0,0]=2 4810 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,2,0,0,0,0|0,0,0]=2 4811 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)=O Amb17666645 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,2,0,0,0,0|0,0,0]=2 4813 B9R0.79 CC(=O)[C@@H](O)[C@H](O)C(C)=O Amb25146821 [0,2,0,0,0,0|1,0,0]=3 4814 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,2,0,0,0,0|0,0,0]=2 4815 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,2,0,0,0,0|0,0,0]=2 4816 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,2,0,0,0,0|1,0,1]=4 4817 B9R0.79 CC(C(=O)C(C)=O)C(C)=O Amb25692911 [0,2,0,0,0,0|1,0,1]=4 4818 B9R0.79 CC(C(C)C(=O)Cl)C(=O)Cl Amb22347385 [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.79 CC(C(Cl)C(C)=O)C(C)=O Amb24357432 [0,2,0,0,0,0|1,0,0]=3 4820 B9R0.79 CC(C(O)=O)N(C)C(N)=O Amb18962712 [0,2,0,0,0,0|2,0,0]=4 4821 B9R0.79 CC(C(O)=O)N(C)S(C)=O Amb25177141 [0,2,0,0,0,0|2,0,0]=4 4822 B9R0.79 CC(C(O)C(C)=C)C(C)=O Amb25145557 [0,2,0,0,0,0|2,0,0]=4 4823 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,2,0,0,0,0|1,0,0]=3 4824 B9R0.79 CC(C(O)C(O)=O)N(C)C Amb25274735 [0,2,0,0,0,0|2,0,0]=4 4825 B9R0.79 CC(C)C(C)C(C)C(O)=O Amb18124692 [0,2,0,0,0,0|1,0,1]=4 4826 B9R0.79 CC(C)C(C)C(F)C(O)=O Amb25853148 [0,2,0,0,0,0|1,0,1]=4 4827 B9R0.79 CC(C)C(Cl)C(N)C(O)=O Amb25779528 [0,2,0,0,0,0|1,0,1]=4 4828 B9R0.79 CC(C)C(O)C(Br)C(O)=O Amb25313138 [0,2,0,0,0,0|1,0,1]=4 4829 B9R0.79 CC(C)C(O)C(C)C(O)=O Amb18990636 [0,2,0,0,0,0|1,0,1]=4 4830 B9R0.79 CC(C)C(O)C(Cl)C(O)=O Amb25275308 [0,2,0,0,0,0|1,0,1]=4 4831 B9R0.79 CC(C)C(O)C(N)C(O)=O Amb23399656 [0,2,0,0,0,0|1,0,1]=4 4832 B9R0.79 CC(C)C(O)[C@@H](N)C(O)=O Amb19130451 [0,2,0,0,0,0|1,0,1]=4 4833 B9R0.79 CC(C)C(O)[C@H](N)C(O)=O Amb24509492 [0,2,0,0,0,0|1,0,1]=4 4834 B9R0.79 CC(C)[C@@H](C)[C@@H](N)C(O)=O Amb24670804 [0,2,0,0,0,0|1,0,1]=4 4835 B9R0.79 CC(C)[C@@H](C)[C@H](N)C(O)=O Amb25061907 [0,2,0,0,0,0|1,0,1]=4 4836 B9R0.79 CC(C)[C@@H](C)[C@H](O)C(O)=O Amb24447350 [0,2,0,0,0,0|1,0,1]=4 4837 B9R0.79 CC(C)[C@@H](F)[C@@H](N)C(O)=O Amb22802115 [0,2,0,0,0,0|1,0,1]=4 4838 B9R0.79 CC(C)[C@@H](N)C(O)C(O)=O Amb25258947 [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(O)=O Amb22224932 [0,2,0,0,0,0|1,0,1]=4 4840 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(O)=O Amb25222321 [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(O)=O Amb24550312 [0,2,0,0,0,0|1,0,1]=4 4842 B9R0.79 CC(C)[C@@H](S)[C@H](N)C(O)=O Amb25302326 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.79 CC(C)[C@H](C)[C@@H](N)C(O)=O Amb25147401 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.79 CC(C)[C@H](C)[C@H](O)C(O)=O Amb24548143 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.79 CC(C)[C@H](N)C(O)C(O)=O Amb24744520 [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.79 CC(C)[C@H](N)[C@@H](F)C(O)=O Amb24629885 [0,2,0,0,0,0|1,0,1]=4 4847 B9R0.79 CC(C)[C@H](N)[C@@H](O)C(O)=O Amb24428177 [0,2,0,0,0,0|1,0,1]=4 4848 B9R0.79 CC(C)[C@H](N)[C@H](O)C(O)=O Amb25147282 [0,2,0,0,0,0|1,0,1]=4 4849 B9R0.79 CC(C)[C@H](O)[C@@H](Br)C(O)=O Amb24598278 [0,2,0,0,0,0|1,0,1]=4 4850 B9R0.79 CC(N)C(C)C(C)C(O)=O Amb25828384 [0,2,0,0,0,0|1,0,1]=4 4851 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,2,0,0,0,0|0,0,2]=4 4852 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,2,0,0,0,0|0,0,2]=4 4853 B9R0.79 CC(O)C(O)C(O)C(C)=O Amb25145498 [0,2,0,0,0,0|1,0,1]=4 4854 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,2,0,0,0,0|0,0,2]=4 4855 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,2,0,0,0,0|1,0,0]=3 4856 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,2,0,0,0,0|0,0,2]=4 4857 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C Amb10844253 [0,2,0,0,0,0|1,0,1]=4 4858 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C Amb10807407 [0,2,0,0,0,0|1,0,1]=4 4859 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,2,0,0,0,0|1,0,1]=4 4860 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,2,0,0,0,0|0,0,2]=4 4861 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,2,0,0,0,0|0,0,2]=4 4862 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,2,0,0,0,0|0,0,2]=4 4863 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(C)=O Amb24661092 [0,2,0,0,0,0|1,0,1]=4 4864 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,2,0,0,0,0|0,0,2]=4 4865 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,2,0,0,0,0|0,0,2]=4 4866 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,2,0,0,0,0|1,0,0]=3 4867 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,2,0,0,0,0|1,0,0]=3 4868 B9R0.79 C[C@@H]([C@H](O)C(C)=C)C(C)=O Amb25146727 [0,2,0,0,0,0|2,0,0]=4 4869 B9R0.79 C[C@@H]([C@H](O)C(O)=O)N(C)C Amb24480709 [0,2,0,0,0,0|2,0,0]=4 4870 B9R0.79 C[C@@H]([C@H](O)[C@H](C)N)C(O)=O Amb24563136 [0,2,0,0,0,0|1,0,1]=4 4871 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,2,0,0,0,0|1,0,1]=4 4872 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,2,0,0,0,0|0,0,2]=4 4873 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,2,0,0,0,0|0,0,2]=4 4874 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,2,0,0,0,0|1,0,0]=3 4875 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,2,0,0,0,0|0,0,2]=4 4876 B9R0.79 C[C@H]([C@H](C)C(N)=O)C(N)=O Amb25091711 [0,2,0,0,0,0|2,0,0]=4 4877 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,2,0,0,0,0|1,0,0]=3 4878 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(C)Cl Amb25363328 [0,2,0,0,0,0|1,0,1]=4 4879 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.79 NC(=O)C(Br)C(Br)C(N)=O Amb25243175 [0,2,0,0,0,0|2,0,0]=4 4881 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,2,0,0,0,0|1,0,0]=3 4883 B9R0.79 NC(=O)C(O)C(F)C(N)=O Amb24710117 [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,2,0,0,0,0|1,0,0]=3 4885 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,2,0,0,0,0|1,0,0]=3 4886 B9R0.79 NC(=O)C(S)C(S)C(N)=O Amb25804691 [0,2,0,0,0,0|2,0,0]=4 4887 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,2,0,0,0,0|1,0,0]=3 4888 B9R0.79 NC(=O)[C@@H](O)[C@@H](O)C(N)=O Amb25738404 [0,2,0,0,0,0|2,0,0]=4 4889 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,2,0,0,0,0|1,0,0]=3 4891 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,2,0,0,0,0|1,0,0]=3 4892 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,2,0,0,0,0|1,0,0]=3 4893 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,2,0,0,0,0|1,0,0]=3 4895 B9R0.79 NC(=S)C(O)C(O)C(O)=O Amb25855735 [0,2,0,0,0,0|1,1,0]=4 4896 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,2,0,0,0,0|1,0,0]=3 4897 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,2,0,0,0,0|1,0,0]=3 4898 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,2,0,0,0,0|1,0,0]=3 4899 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,2,0,0,0,0|1,0,0]=3 4900 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,2,0,0,0,0|1,0,0]=3 4901 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,2,0,0,0,0|1,0,0]=3 4903 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,2,0,0,0,0|1,0,0]=3 4904 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,2,0,0,0,0|1,0,0]=3 4905 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,2,0,0,0,0|1,0,0]=3 4906 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,2,0,0,0,0|1,0,0]=3 4907 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,2,0,0,0,0|1,0,0]=3 4908 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,2,0,0,0,0|1,0,0]=3 4909 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,2,0,0,0,0|1,0,0]=3 4910 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,2,0,0,0,0|1,0,0]=3 4911 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,2,0,0,0,0|2,0,0]=4 4912 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,2,0,0,0,0|1,0,0]=3 4913 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,2,0,0,0,0|1,0,0]=3 4914 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,2,0,0,0,0|1,0,0]=3 4915 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,2,0,0,0,0|1,0,0]=3 4916 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,2,0,0,0,0|1,0,0]=3 4917 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,2,0,0,0,0|1,0,0]=3 4918 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,2,0,0,0,0|1,0,0]=3 4919 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,2,0,0,0,0|1,0,0]=3 4920 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,2,0,0,0,0|1,0,0]=3 4921 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,2,0,0,0,0|1,0,0]=3 4922 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,2,0,0,0,0|1,0,0]=3 4923 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,2,0,0,0,0|1,0,0]=3 4924 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,2,0,0,0,0|1,0,0]=3 4925 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,2,0,0,0,0|1,0,0]=3 4926 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,2,0,0,0,0|1,0,0]=3 4927 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,2,0,0,0,0|1,0,0]=3 4928 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,2,0,0,0,0|1,0,0]=3 4929 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,2,0,0,0,0|1,0,0]=3 4930 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,2,0,0,0,0|1,0,0]=3 4931 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,2,0,0,0,0|1,0,0]=3 4932 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,2,0,0,0,0|1,0,0]=3 4933 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,2,0,0,0,0|1,0,0]=3 4934 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,2,0,0,0,0|1,0,0]=3 4935 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,2,0,0,0,0|1,0,0]=3 4936 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,2,0,0,0,0|1,0,0]=3 4937 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,2,0,0,0,0|1,0,0]=3 4938 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,2,0,0,0,0|1,0,0]=3 4939 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,2,0,0,0,0|1,0,0]=3 4940 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,2,0,0,0,0|1,0,0]=3 4941 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,2,0,0,0,0|1,0,0]=3 4942 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,2,0,0,0,0|1,0,0]=3 4944 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,2,0,0,0,0|1,0,0]=3 4945 B9R0.79 OC(C(C(=O)C)O)C(=O)C Amb17593650 [0,2,0,0,0,0|1,0,0]=3 4946 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] Amb10558451 [0,2,0,0,0,0|1,0,1]=4 4947 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.79 OC(C(O)C(=O)Cl)C(=O)Cl Amb25187317 [0,2,0,0,0,0|2,0,0]=4 4949 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,2,0,0,0,0|1,0,0]=3 4950 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,2,0,0,0,0|1,0,0]=3 4951 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,2,0,0,0,0|1,0,0]=3 4952 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,2,0,0,0,0|1,0,0]=3 4953 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,2,0,0,0,0|1,0,0]=3 4954 B9R0.79 O[C@H]([C@@H](O)C(=O)Cl)C(=O)Cl Amb25831919 [0,2,0,0,0,0|2,0,0]=4 4955 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,2,0,0,0,0|1,0,0]=3 4956 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,2,0,0,0,0|1,0,0]=3 4957 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb19959974 [0,2,0,0,0,0|1,0,1]=4 4958 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb20246805 [0,2,0,0,0,0|1,0,1]=4 4959 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22043187 [0,2,0,0,0,0|1,0,1]=4 4960 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22051664 [0,2,0,0,0,0|1,0,1]=4 4961 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052534 [0,2,0,0,0,0|1,0,1]=4 4962 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052640 [0,2,0,0,0,0|1,0,1]=4 4963 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22054182 [0,2,0,0,0,0|1,0,1]=4 4964 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22167369 [0,2,0,0,0,0|1,0,1]=4 4965 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22230382 [0,2,0,0,0,0|1,0,1]=4 4966 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22338780 [0,2,0,0,0,0|1,0,1]=4 4967 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730412 [0,2,0,0,0,0|1,0,1]=4 4968 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730657 [0,2,0,0,0,0|1,0,1]=4 4969 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22731372 [0,2,0,0,0,0|1,0,1]=4 4970 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732246 [0,2,0,0,0,0|1,0,1]=4 4971 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732893 [0,2,0,0,0,0|1,0,1]=4 4972 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733947 [0,2,0,0,0,0|1,0,1]=4 4973 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733989 [0,2,0,0,0,0|1,0,1]=4 4974 B9R0.79 [O-]C(=O)[C@@H](O)[C@@H](O)C([O-])=O Amb22801615 [0,2,0,0,0,0|1,0,1]=4 4975 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,2,0,0,0,0|1,0,0]=3 4976 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,2,0,0,0,0|1,0,0]=3 4977 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,2,0,0,0,0|1,0,0]=3 4978 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22336596 [0,2,0,0,0,0|1,0,1]=4 4979 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22337906 [0,2,0,0,0,0|1,0,1]=4 4980 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348174 [0,2,0,0,0,0|1,0,1]=4 4981 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348226 [0,2,0,0,0,0|1,0,1]=4 4982 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348279 [0,2,0,0,0,0|1,0,1]=4 4983 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22350400 [0,2,0,0,0,0|1,0,1]=4 4984 B9R0.79 [O-]C(C(O)C([O-])=O)C([O-])=O Amb22043193 [0,2,0,0,0,0|1,0,1]=4 4985 B7R1.2 C=C1CC(=O)NC1 Amb25767177 [1,0,0,1,0,0|2,0,0]=4 4986 B7R1.2 C=C1CC(=O)OC1 Amb24589821 [1,0,0,1,0,0|2,0,0]=4 4987 B7R1.2 C=C1CC(O)CC1 Amb25246529 [1,0,0,1,0,0|1,0,1]=4 4988 B7R1.2 C=C1COC(=O)O1 Amb20248769 [1,0,0,1,0,0|1,0,1]=4 4989 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [1,0,0,1,0,0|2,0,0]=4 4990 B7R1.2 CC1=CCC(=O)N1 Amb24119179 [1,0,0,1,0,0|1,0,1]=4 4991 B7R1.2 CC1=CNC(=O)O1 Amb22298623 [1,0,0,1,0,0|1,0,1]=4 4992 B7R1.2 CC1=COC(=O)O1 Amb24693155 [1,0,0,1,0,0|1,0,1]=4 4993 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [1,0,0,1,0,0|2,0,0]=4 4994 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [1,0,0,1,0,0|2,0,0]=4 4995 B7R1.2 CC1CCC(=O)N1 Amb19267101 [1,0,0,1,0,0|1,0,1]=4 4996 B7R1.2 CC1CCC(=S)O1 Amb25361484 [1,0,0,1,0,0|0,1,1]=4 4997 B7R1.2 CC1CNC(=O)O1 Amb19651732 [1,0,0,1,0,0|1,0,1]=4 4998 B7R1.2 CC1OC(=O)CS1 Amb25314322 [1,0,0,1,0,0|1,0,1]=4 4999 B7R1.2 CC=1CC(=O)CC1 Amb25319016 [1,0,0,1,0,0|1,0,1]=4 5000 B7R1.2 CC=1CC[C@H](O)C1 Amb24705946 [1,0,0,1,0,0|1,0,1]=4 5001 B7R1.2 CC=1CNC(=O)C1 Amb24479892 [1,0,0,1,0,0|2,0,0]=4 5002 B7R1.2 CC=1COC(=O)C1 Amb22002703 [1,0,0,1,0,0|2,0,0]=4 5003 B7R1.2 CN1CC(=O)CC1 Amb22236123 [1,0,0,1,0,0|2,0,0]=4 5004 B7R1.2 CN1CCC(=O)N1 Amb24064860 [1,0,0,1,0,0|2,0,0]=4 5005 B7R1.2 CN1CCC(O)=C1 Amb24079726 [1,0,0,1,0,0|2,0,0]=4 5006 B7R1.2 C[C@@H]1CC(=O)CC1 Amb22801305 [1,0,0,1,0,0|1,0,1]=4 5007 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [1,0,0,1,0,0|1,0,1]=4 5008 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [1,0,0,1,0,0|1,0,1]=4 5009 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [1,0,0,1,0,0|1,0,1]=4 5010 B7R1.2 C[C@H]1CNC(=O)O1 Amb24480854 [1,0,0,1,0,0|1,0,1]=4 5011 B7R1.2 N=C1CCC(=O)N1 Amb10552414 [1,0,0,1,0,0|2,0,0]=4 5012 B7R1.2 NC1=NCC(=O)O1 Amb24061087 [1,0,0,1,0,0|2,0,0]=4 5013 B7R1.2 NC1CC(=O)CC1 Amb22236085 [1,0,0,1,0,0|1,0,1]=4 5014 B7R1.2 NC1CC(=O)CC1 Amb22494268 [1,0,0,1,0,0|1,0,1]=4 5015 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,0,0,1,0,0|1,0,1]=4 5016 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,2]=4 5017 B7R1.2 O=C1C=CC(=O)O1 Amb22369065 [1,0,0,1,0,0|0,0,2]=4 5018 B7R1.2 O=C1C=C[13C](=O)O1 Amb22367487 [1,0,0,1,0,0|0,0,2]=4 5019 B7R1.2 O=C1CC(=O)C=C1 Amb22338203 [1,0,0,1,0,0|0,0,2]=4 5020 B7R1.2 O=C1CC(Br)CC1 Amb24334292 [1,0,0,1,0,0|1,0,1]=4 5021 B7R1.2 O=C1CC(F)CC1 Amb21963553 [1,0,0,1,0,0|1,0,1]=4 5022 B7R1.2 O=C1CC(I)CC1 Amb22001809 [1,0,0,1,0,0|1,0,1]=4 5023 B7R1.2 O=C1CCC(=O)[15NH]1 Amb22338306 [1,0,0,1,0,0|1,0,0]=3 5024 B7R1.2 O=C1CCC(Br)=C1 Amb23399816 [1,0,0,1,0,0|1,0,1]=4 5025 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,0,0,1,0,0|1,0,1]=4 5026 B7R1.2 O=C1CCC(Cl)=N1 Amb24712377 [1,0,0,1,0,0|2,0,0]=4 5027 B7R1.2 O=C1CCC(I)=C1 Amb25811714 [1,0,0,1,0,0|1,0,1]=4 5028 B7R1.2 O=C1CC[C@@H](Cl)O1 Amb24710047 [1,0,0,1,0,0|1,0,1]=4 5029 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,0,0,1,0,0|1,0,0]=3 5030 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [1,0,0,1,0,0|1,0,0]=3 5031 B7R1.2 O=C1NCC(=O)S1 Amb22372196 [1,0,0,1,0,0|1,1,0]=4 5032 B7R1.2 O=C1OC=C(C1)O Amb17621628 [1,0,0,1,0,0|1,0,1]=4 5033 B7R1.2 O=C1OCC(=O)N1 Amb1625991 [1,0,0,1,0,0|2,0,0]=4 5034 B7R1.2 O=C1SCC(=O)N1 Amb1853667 [1,0,0,1,0,0|2,0,0]=4 5035 B7R1.2 O=C1[13CH]=[13CH]C(=O)O1 Amb22353372 [1,0,0,1,0,0|0,0,2]=4 5036 B7R1.2 O=C1[14CH2][14CH2]C(=O)O1 Amb22729170 [1,0,0,1,0,0|0,0,0]=2 5037 B7R1.2 O=C1[15NH][13CH2]C(=O)N1 Amb17615001 [1,0,0,1,0,0|2,0,0]=4 5038 B7R1.2 O=C1[15NH][13CH2][13C](=O)N1 Amb17615000 [1,0,0,1,0,0|2,0,0]=4 5039 B7R1.2 O=[13C]1C=C[13C](=O)O1 Amb22367373 [1,0,0,1,0,0|0,0,2]=4 5040 B7R1.2 O=[13C]1CC[13C](=O)O1 Amb20243426 [1,0,0,1,0,0|0,0,0]=2 5041 B7R1.2 O=[13C]1[13CH2][13CH2][13C](=O)O1 Amb22056174 [1,0,0,1,0,0|0,0,0]=2 5042 B7R1.2 O=[13C]1[13CH]=[13CH][13C](=O)O1 Amb22055653 [1,0,0,1,0,0|0,0,2]=4 5043 B7R1.2 OC1CC(=O)CC1 Amb22057378 [1,0,0,1,0,0|0,0,1]=3 5044 B7R1.2 OC1CCC(=O)N1 Amb21963236 [1,0,0,1,0,0|1,0,1]=4 5045 B7R1.2 OC1CCC(=O)O1 Amb22740957 [1,0,0,1,0,0|0,0,2]=4 5046 B7R1.2 OC1CNC(=O)C1 Amb19958404 [1,0,0,1,0,0|1,0,1]=4 5047 B7R1.2 OC=1CNC(=O)C1 Amb20623530 [1,0,0,1,0,0|1,0,1]=4 5048 B7R1.2 O[C@@H]1CC(=O)NC1 Amb15691722 [1,0,0,1,0,0|1,0,1]=4 5049 B7R1.3 O=C1CC=CCC1 Amb22365196 [1,0,0,1,0,0|1,0,0]=3 5050 B7R1.3 O=C1CC=CCN1 Amb24697654 [1,0,0,1,0,0|1,0,1]=4 5051 B7R1.3 O=C1CC=CNC1 Amb25190066 [1,0,0,1,0,0|1,0,1]=4 5052 B7R1.3 O=C1CCCCS1 Amb25186924 [1,0,0,1,0,0|0,1,1]=4 5053 B7R1.3 O=C1CCCNC1 Amb10070944 [1,0,0,1,0,0|1,0,1]=4 5054 B7R1.3 O=C1CCCNC1 Amb10602349 [1,0,0,1,0,0|1,0,1]=4 5055 B7R1.3 O=C1CCCSC1 Amb13952257 [1,0,0,1,0,0|0,1,1]=4 5056 B7R1.3 O=C1CCSCC1 Amb1154265 [1,0,0,1,0,0|2,0,0]=4 5057 B7R1.3 O=C1CCSCN1 Amb24479868 [1,0,0,1,0,0|2,0,0]=4 5058 B7R1.3 O=C1CNCCC1 Amb19958010 [1,0,0,1,0,0|1,0,1]=4 5059 B7R1.3 O=C1CNCCO1 Amb19958702 [1,0,0,1,0,0|1,0,1]=4 5060 B7R1.3 O=C1COCCC1 Amb19373430 [1,0,0,1,0,0|0,0,1]=3 5061 B7R1.3 O=C1COCCN1 Amb15691115 [1,0,0,1,0,0|1,0,1]=4 5062 B7R1.3 O=C1COCCO1 Amb17933352 [1,0,0,1,0,0|1,0,1]=4 5063 B7R1.3 O=C1COCOC1 Amb25319015 [1,0,0,1,0,0|1,0,1]=4 5064 B7R1.3 O=C1CSSCC1 Amb25718327 [1,0,0,1,0,0|1,1,0]=4 5065 B7R1.3 O=C1NCCCO1 Amb10608499 [1,0,0,1,0,0|1,0,1]=4 5066 B7R1.3 O=[13C]1CCCCC1 Amb22367406 [1,0,0,1,0,0|1,0,1]=4 5067 B7R1.5 C=C1CC1CCO Amb25251181 [1,0,0,1,0,0|1,0,1]=4 5068 B7R1.5 C=C1C[C@@H]1CC=O Amb24574015 [1,0,0,1,0,0|1,0,0]=3 5069 B7R1.5 C=C1C[C@H]1CC=O Amb25326113 [1,0,0,1,0,0|1,0,0]=3 5070 B7R1.5 CC1CC1CC=O Amb25737156 [1,0,0,1,0,0|1,0,1]=4 5071 B7R1.7 O=CCCC1CC1 Amb21864768 [1,0,0,1,0,0|1,0,1]=4 5072 B7R1.7 O=CCCC1CO1 Amb25054703 [1,0,0,1,0,0|0,0,2]=4 5073 B7R1.10 C=C1CC(C1)C=O Amb22896623 [1,0,0,1,0,0|1,0,0]=3 5074 B7R1.10 C=C1CC(CO)C1 Amb25854323 [1,0,0,1,0,0|1,0,1]=4 5075 B7R1.10 C=C[C@H]1CC(=O)N1 Amb24383478 [1,0,0,1,0,0|1,0,1]=4 5076 B7R1.10 CCC1CC(=O)C1 Amb24406738 [1,0,0,1,0,0|1,0,1]=4 5077 B7R1.10 CC[C@H]1CC(=O)N1 Amb24479784 [1,0,0,1,0,0|1,0,1]=4 5078 B7R1.10 COC1CC(=O)C1 Amb22754340 [1,0,0,1,0,0|2,0,0]=4 5079 B7R1.10 CSC1CC(=O)N1 Amb25265230 [1,0,0,1,0,0|2,0,0]=4 5080 B7R1.10 ClCC1CC(=O)C1 Amb10610581 [1,0,0,1,0,0|1,0,1]=4 5081 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [1,0,0,1,0,0|1,0,1]=4 5082 B7R1.10 NCC1CC(=O)C1 Amb18251063 [1,0,0,1,0,0|1,0,1]=4 5083 B7R1.10 NCC1CC(=O)C1 Amb22406094 [1,0,0,1,0,0|1,0,1]=4 5084 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [1,0,0,1,0,0|1,0,1]=4 5085 B7R1.10 O=C1CC(CI)O1 Amb25169535 [1,0,0,1,0,0|1,0,1]=4 5086 B7R1.10 O=CC1CC(=O)N1 Amb24479772 [1,0,0,1,0,0|1,0,0]=3 5087 B7R1.10 OCC1CC(=O)C1 Amb16231082 [1,0,0,1,0,0|0,0,1]=3 5088 B7R1.10 OCC1CC(=O)N1 Amb22388379 [1,0,0,1,0,0|1,0,1]=4 5089 B7R1.10 OCC1CC(=O)O1 Amb25706008 [1,0,0,1,0,0|0,0,2]=4 5090 B7R1.10 OC[C@@H]1CC(=O)N1 Amb24578924 [1,0,0,1,0,0|1,0,1]=4 5091 B7R1.10 OC[C@H]1CC(=O)O1 Amb25769462 [1,0,0,1,0,0|0,0,2]=4 5092 B7R1.12 C=C1C[C@@H]1C(O)=O Amb24683036 [1,0,0,1,0,0|0,0,1]=3 5093 B7R1.12 C=C1C[C@H]1C(O)=O Amb24368112 [1,0,0,1,0,0|0,0,1]=3 5094 B7R1.12 CC(=O)C1CC1Br Amb24426068 [1,0,0,1,0,0|1,0,1]=4 5095 B7R1.12 CC(=O)C1CC1Cl Amb25321894 [1,0,0,1,0,0|1,0,1]=4 5096 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Br Amb25745820 [1,0,0,1,0,0|1,0,1]=4 5097 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Cl Amb24595358 [1,0,0,1,0,0|1,0,1]=4 5098 B7R1.12 CC(=O)[C@@H]1C[C@H]1Br Amb25110221 [1,0,0,1,0,0|1,0,1]=4 5099 B7R1.12 CC(=O)[C@@H]1C[C@H]1Cl Amb25179033 [1,0,0,1,0,0|1,0,1]=4 5100 B7R1.12 CC1=CC1C(C)=O Amb24736062 [1,0,0,1,0,0|1,0,1]=4 5101 B7R1.12 CC1CC1C(C)=O Amb25720437 [1,0,0,1,0,0|1,0,1]=4 5102 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|1,0,1]=4 5103 B7R1.12 C[C@@H]1C[C@@H]1C(C)=O Amb24670522 [1,0,0,1,0,0|1,0,1]=4 5104 B7R1.12 C[C@@H]1C[C@@H]1C(N)=O Amb25745425 [1,0,0,1,0,0|1,0,1]=4 5105 B7R1.12 C[C@@H]1C[C@@H]1C(O)=O Amb25851678 [1,0,0,1,0,0|0,0,1]=3 5106 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,1,0,0|1,0,1]=4 5107 B7R1.12 C[C@@H]1C[C@H]1C(O)=O Amb22735875 [1,0,0,1,0,0|0,0,1]=3 5108 B7R1.12 C[C@@H]1N[C@H]1C(O)=O Amb24120621 [1,0,0,1,0,0|1,0,1]=4 5109 B7R1.12 C[C@@H]1O[C@H]1C(O)=O Amb25738149 [1,0,0,1,0,0|1,0,1]=4 5110 B7R1.12 C[C@H]1C[C@@H]1C(O)=O Amb22735974 [1,0,0,1,0,0|0,0,1]=3 5111 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|0,0,1]=3 5112 B7R1.12 C[C@H]1C[C@H]1C(C)=O Amb25236374 [1,0,0,1,0,0|1,0,1]=4 5113 B7R1.12 N[C@@H]1C[C@@H]1C(O)=O Amb25708637 [1,0,0,1,0,0|1,0,1]=4 5114 B7R1.12 N[C@@H]1C[C@H]1C(=O)O Amb2372566 [1,0,0,1,0,0|1,0,1]=4 5115 B7R1.12 N[C@H]1C[C@@H]1C(O)=O Amb25204284 [1,0,0,1,0,0|1,0,1]=4 5116 B7R1.12 OC(=O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,1]=4 5117 B7R1.12 OC(=O)C1CC1S Amb20246988 [1,0,0,1,0,0|0,1,1]=4 5118 B7R1.12 OC(=O)[C@@H]1C[C@@H]1Cl Amb25209184 [1,0,0,1,0,0|1,0,1]=4 5119 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,1]=4 5120 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,1]=4 5121 B7R1.12 OC(=O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,1]=4 5122 B7R1.12 OC(=O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,1]=4 5123 B7R1.12 OC(=O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,1]=4 5124 B7R1.12 OC(=O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,1]=4 5125 B7R1.12 OC(=O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,1]=4 5126 B7R1.12 OC1CC1C(O)=O Amb24360896 [1,0,0,1,0,0|0,0,2]=4 5127 B7R1.14 CP1(=O)CCCO1 Amb22732093 [1,0,0,1,0,0|1,0,1]=4 5128 B7R1.18 CC(=O)C1CC=C1 Amb25807635 [1,0,0,1,0,0|1,0,0]=3 5129 B7R1.18 CC(=O)C1CCO1 Amb25745997 [1,0,0,1,0,0|0,0,1]=3 5130 B7R1.18 CC(=O)C1CCS1 Amb24105980 [1,0,0,1,0,0|0,1,1]=4 5131 B7R1.18 CC(=O)C1CNC1 Amb23400009 [1,0,0,1,0,0|2,0,0]=4 5132 B7R1.18 CC(=O)C1CNC1 Amb23401240 [1,0,0,1,0,0|2,0,0]=4 5133 B7R1.18 CC(=O)N1CC=C1 Amb22001815 [1,0,0,1,0,0|2,0,0]=4 5134 B7R1.18 NC(=O)C1CCO1 Amb24478900 [1,0,0,1,0,0|1,0,1]=4 5135 B7R1.18 NC(=O)C1CNC1 Amb10976072 [1,0,0,1,0,0|2,0,0]=4 5136 B7R1.18 NC(=O)C1CNC1 Amb20061301 [1,0,0,1,0,0|2,0,0]=4 5137 B7R1.18 NC(=O)C1CNC1 Amb21960249 [1,0,0,1,0,0|2,0,0]=4 5138 B7R1.18 O=C(Cl)C1COC1 Amb25201101 [1,0,0,1,0,0|2,0,0]=4 5139 B7R1.18 OC(=O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,1]=4 5140 B7R1.18 OC(=O)C1CCO1 Amb2383526 [1,0,0,1,0,0|0,0,2]=4 5141 B7R1.18 OC(=O)C1CNC1 Amb2444164 [1,0,0,1,0,0|1,0,0]=3 5142 B7R1.18 OC(=O)C1CSC1 Amb20171470 [1,0,0,1,0,0|1,0,0]=3 5143 B7R1.18 OP(=O)C1CNC1 Amb25212879 [1,0,0,1,0,0|2,0,0]=4 5144 B7R1.20 CC(=O)CC1CC1 Amb10603417 [1,0,0,1,0,0|1,0,1]=4 5145 B7R1.20 CC(=O)CC1CO1 Amb25718439 [1,0,0,1,0,0|0,0,1]=3 5146 B7R1.20 CC(=O)OC1CO1 Amb25261586 [1,0,0,1,0,0|1,0,1]=4 5147 B7R1.20 CS(=O)CC1CO1 Amb25060906 [1,0,0,1,0,0|1,0,1]=4 5148 B7R1.20 CS(=O)C[C@H]1CO1 Amb24431713 [1,0,0,1,0,0|1,0,1]=4 5149 B7R1.20 NC(=O)CC1CO1 Amb24654802 [1,0,0,1,0,0|1,0,1]=4 5150 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [1,0,0,1,0,0|1,0,1]=4 5151 B7R1.20 OC(=O)CC1CO1 Amb25244347 [1,0,0,1,0,0|1,0,0]=3 5152 B7R1.23 CC1(Br)CC1C=O Amb25679179 [1,0,0,1,0,0|1,0,1]=4 5153 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [0,0,0,1,1,0|1,0,1]=4 5154 B7R1.16 O=C1CS(=O)(=O)C1 Amb22756924 [0,0,0,1,1,0|1,0,1]=4 5155 B9R1.35 C=C(Br)C1CC(=O)OC1 Amb25707934 [0,0,0,1,0,1|2,0,0]=4 5156 B9R1.35 C=C1CC(=CC1)C(O)=O Amb25093101 [0,0,0,1,0,1|1,0,1]=4 5157 B9R1.35 C=C1CNC(C1)C(O)=O Amb24594868 [0,0,0,1,0,1|1,0,0]=3 5158 B9R1.35 CC(=C)C1COC(=O)N1 Amb24477743 [0,0,0,1,0,1|2,0,0]=4 5159 B9R1.35 CC(=C)C1CSC(=O)N1 Amb25823537 [0,0,0,1,0,1|2,0,0]=4 5160 B9R1.35 CC(=C)[C@@H]1CC(=O)CC1 Amb25712704 [0,0,0,1,0,1|2,0,0]=4 5161 B9R1.35 CC(=C)[C@@H]1CCC(=O)N1 Amb25142143 [0,0,0,1,0,1|2,0,0]=4 5162 B9R1.35 CC(=O)C1CC(=O)C=C1 Amb25851582 [0,0,0,1,0,1|1,0,1]=4 5163 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [0,0,0,1,0,1|1,0,0]=3 5164 B9R1.35 CC(=O)C1CC(=O)CS1 Amb24061575 [0,0,0,1,0,1|1,0,0]=3 5165 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [0,0,0,1,0,1|1,0,0]=3 5166 B9R1.35 CC(=O)C1CCC(O)C1 Amb24364135 [0,0,0,1,0,1|1,0,1]=4 5167 B9R1.35 CC(=O)C1CSC(=O)N1 Amb25706778 [0,0,0,1,0,1|1,0,0]=3 5168 B9R1.35 CC(=O)N1CC(=O)CC1 Amb18832698 [0,0,0,1,0,1|1,0,0]=3 5169 B9R1.35 CC(=O)N1CC(O)CC1 Amb20622704 [0,0,0,1,0,1|1,0,1]=4 5170 B9R1.35 CC(=O)N1CCC(=N1)N Amb1145162 [0,0,0,1,0,1|2,0,0]=4 5171 B9R1.35 CC(=O)N1CC[C@@H](O)C1 Amb17935744 [0,0,0,1,0,1|1,0,1]=4 5172 B9R1.35 CC(=O)N1CC[C@H](O)C1 Amb17935745 [0,0,0,1,0,1|1,0,1]=4 5173 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [0,0,0,1,0,1|1,0,0]=3 5174 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,0,1|0,0,0]=2 5175 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 Amb25809473 [0,0,0,1,0,1|1,0,0]=3 5176 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [0,0,0,1,0,1|1,0,0]=3 5177 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [0,0,0,1,0,1|1,0,0]=3 5178 B9R1.35 CC(=O)[C@H]1CCC(=O)O1 Amb24524212 [0,0,0,1,0,1|0,0,0]=2 5179 B9R1.35 CC(Br)C1CCC(=O)O1 Amb25074658 [0,0,0,1,0,1|1,0,1]=4 5180 B9R1.35 CC(C)=C1CC(=O)CC1 Amb25370822 [0,0,0,1,0,1|2,0,0]=4 5181 B9R1.35 CC(C)=C1CCC(=O)N1 Amb25147121 [0,0,0,1,0,1|2,0,0]=4 5182 B9R1.35 CC(C)[C@H]1CNC(=O)O1 Amb25770277 [0,0,0,1,0,1|1,0,1]=4 5183 B9R1.35 CC(Cl)C1CCC(=O)O1 Amb25060676 [0,0,0,1,0,1|1,0,1]=4 5184 B9R1.35 CC(N)C1CCC(=O)O1 Amb24477799 [0,0,0,1,0,1|1,0,1]=4 5185 B9R1.35 CC(O)C1CC(=O)CS1 Amb25087194 [0,0,0,1,0,1|1,0,1]=4 5186 B9R1.35 CC(O)C1CC(=O)OC1 Amb25739837 [0,0,0,1,0,1|1,0,1]=4 5187 B9R1.35 CC(O)C1CC(=O)SC1 Amb24703668 [0,0,0,1,0,1|1,0,1]=4 5188 B9R1.35 CC(O)C1COC(=O)O1 Amb24592152 [0,0,0,1,0,1|0,0,2]=4 5189 B9R1.35 CC1=CC(SC1)C(=O)O Amb10809142 [0,0,0,1,0,1|1,0,0]=3 5190 B9R1.35 CC1=NC(CO1)C(O)=O Amb20621597 [0,0,0,1,0,1|1,0,0]=3 5191 B9R1.35 CC1=NC(CS1)C(N)=O Amb24099750 [0,0,0,1,0,1|2,0,0]=4 5192 B9R1.35 CC1=NC(CS1)C(O)=O Amb18124720 [0,0,0,1,0,1|1,0,0]=3 5193 B9R1.35 CC1=NC(CS1)C([O-])=O Amb22734629 [0,0,0,1,0,1|1,0,1]=4 5194 B9R1.35 CC1CC(CC1)C(O)=O Amb18642624 [0,0,0,1,0,1|1,0,1]=4 5195 B9R1.35 CC1CC(CN1)C(O)=O Amb18832566 [0,0,0,1,0,1|1,0,1]=4 5196 B9R1.35 CC1CCC(=C1)C(O)=O Amb18642397 [0,0,0,1,0,1|1,0,1]=4 5197 B9R1.35 CC1CCC(N1)C(O)=O Amb18832572 [0,0,0,1,0,1|1,0,1]=4 5198 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [0,0,0,1,0,1|0,0,2]=4 5199 B9R1.35 CC1CCC(O1)C(C)=O Amb24580538 [0,0,0,1,0,1|1,0,1]=4 5200 B9R1.35 CC1CCC(S1)C(O)=O Amb25719281 [0,0,0,1,0,1|0,1,1]=4 5201 B9R1.35 CC1CCC([NH2+]1)C(O)=O Amb22372047 [0,0,0,1,0,1|1,0,1]=4 5202 B9R1.35 CC1CC[C@@H](N1)C(O)=O Amb22748252 [0,0,0,1,0,1|1,0,1]=4 5203 B9R1.35 CC1CNC(O1)C(O)=O Amb25737834 [0,0,0,1,0,1|0,0,2]=4 5204 B9R1.35 CC1CSC(S1)C(O)=O Amb24608602 [0,0,0,1,0,1|0,1,1]=4 5205 B9R1.35 CC1N[C@@H](CS1)C(=O)O Amb16203706 [0,0,0,1,0,1|1,0,1]=4 5206 B9R1.35 CC=1CC(CC1)C(O)=O Amb18642425 [0,0,0,1,0,1|1,0,0]=3 5207 B9R1.35 CC=1CC(NC1)C(O)=O Amb25772613 [0,0,0,1,0,1|1,0,1]=4 5208 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [0,0,0,1,0,1|1,0,0]=3 5209 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [0,0,0,1,0,1|1,0,0]=3 5210 B9R1.35 CC=1CCN(N1)C(=O)Cl Amb25147080 [0,0,0,1,0,1|2,0,0]=4 5211 B9R1.35 CC=1C[C@H](CC1)C(N)=O Amb24547973 [0,0,0,1,0,1|2,0,0]=4 5212 B9R1.35 CC=1C[C@H](CC1)C(O)=O Amb24350803 [0,0,0,1,0,1|1,0,0]=3 5213 B9R1.35 CC=1C[C@H](ON1)C(O)=O Amb25189709 [0,0,0,1,0,1|2,0,0]=4 5214 B9R1.35 CC=1NC(CN1)C(O)=O Amb24599993 [0,0,0,1,0,1|1,0,0]=3 5215 B9R1.35 CN1CCC(N1)C(O)=O Amb25854311 [0,0,0,1,0,1|2,0,0]=4 5216 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22746030 [0,0,0,1,0,1|2,0,0]=4 5217 B9R1.35 CN1C[C@@H](CC1)C(O)=O Amb22756448 [0,0,0,1,0,1|2,0,0]=4 5218 B9R1.35 CS(=O)C1CC(=O)CC1 Amb25147151 [0,0,0,1,0,1|2,0,0]=4 5219 B9R1.35 C[C@@H](O)[C@@H]1CC(=O)NC1 Amb25251245 [0,0,0,1,0,1|1,0,1]=4 5220 B9R1.35 C[C@@H](O)[C@H]1CC(=O)OC1 Amb25215452 [0,0,0,1,0,1|1,0,1]=4 5221 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O Amb10843961 [0,0,0,1,0,1|1,0,1]=4 5222 B9R1.35 C[C@@H]1CC[C@@H](N1)C(O)=O Amb24399449 [0,0,0,1,0,1|1,0,1]=4 5223 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [0,0,0,1,0,1|0,0,2]=4 5224 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb19887682 [0,0,0,1,0,1|1,0,1]=4 5225 B9R1.35 C[C@@H]1C[C@@H](NC1)C(O)=O Amb23439040 [0,0,0,1,0,1|1,0,1]=4 5226 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22008683 [0,0,0,1,0,1|1,0,1]=4 5227 B9R1.35 C[C@@H]1C[C@H](NC1)C(O)=O Amb22752452 [0,0,0,1,0,1|1,0,1]=4 5228 B9R1.35 C[C@@H]1N[C@H](CS1)C(O)=O Amb25294278 [0,0,0,1,0,1|1,0,1]=4 5229 B9R1.35 C[C@H](N)[C@@H]1CCC(=O)O1 Amb24514821 [0,0,0,1,0,1|1,0,1]=4 5230 B9R1.35 C[C@H](O)[C@@H]1CCC(=O)O1 Amb25240058 [0,0,0,1,0,1|0,0,2]=4 5231 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 Amb25236263 [0,0,0,1,0,1|0,0,2]=4 5232 B9R1.35 C[C@H]1CC[C@@H](N1)C(O)=O Amb25260830 [0,0,0,1,0,1|1,0,1]=4 5233 B9R1.35 C[C@H]1CC[C@H](C1)C(=O)O Amb10843955 [0,0,0,1,0,1|1,0,1]=4 5234 B9R1.35 C[C@H]1CC[C@H](N1)C(O)=O Amb24598417 [0,0,0,1,0,1|1,0,1]=4 5235 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [0,0,0,1,0,1|0,0,2]=4 5236 B9R1.35 C[C@H]1C[C@@H](NC1)C(O)=O Amb24752952 [0,0,0,1,0,1|1,0,1]=4 5237 B9R1.35 C[C@H]1C[C@H](CN1)C(O)=O Amb24715999 [0,0,0,1,0,1|1,0,1]=4 5238 B9R1.35 C[C@H]1C[C@H](NC1)C(O)=O Amb19888348 [0,0,0,1,0,1|1,0,1]=4 5239 B9R1.35 C[C@H]1N[C@@H](CS1)C(O)=O Amb25347352 [0,0,0,1,0,1|1,0,1]=4 5240 B9R1.35 C[C@H]1O[C@H](CS1)C(O)=O Amb24625718 [0,0,0,1,0,1|0,0,2]=4 5241 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [0,0,0,1,0,1|2,0,0]=4 5242 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,0,1|1,0,0]=3 5243 B9R1.35 NC(=O)C1CNC(=O)N1 Amb25380692 [0,0,0,1,0,1|2,0,0]=4 5244 B9R1.35 NC(=O)C1CNC(=O)S1 Amb25789527 [0,0,0,1,0,1|1,1,0]=4 5245 B9R1.35 NC(=O)C1COC(=O)N1 Amb24683685 [0,0,0,1,0,1|2,0,0]=4 5246 B9R1.35 NC(=O)N1CC(=O)CC1 Amb25683940 [0,0,0,1,0,1|1,0,0]=3 5247 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,0,1|1,0,0]=3 5248 B9R1.35 NC(=O)[C@@H]1CNC(=O)N1 Amb25740143 [0,0,0,1,0,1|2,0,0]=4 5249 B9R1.35 NC(=S)N1CC(=O)CC1 Amb25793795 [0,0,0,1,0,1|1,1,0]=4 5250 B9R1.35 NC(=S)[C@@H]1CCC(=O)O1 Amb25146031 [0,0,0,1,0,1|1,1,0]=4 5251 B9R1.35 NC1=NCC(S1)C(O)=O Amb24105967 [0,0,0,1,0,1|1,1,0]=4 5252 B9R1.35 NC1=N[C@H](CS1)C(O)=O Amb24099777 [0,0,0,1,0,1|2,0,0]=4 5253 B9R1.35 NC1CC(NC1)C(=O)O Amb10608922 [0,0,0,1,0,1|1,0,1]=4 5254 B9R1.35 NC1CC(OC1)C(O)=O Amb18642828 [0,0,0,1,0,1|1,0,1]=4 5255 B9R1.35 NC1CC(SC1)C(O)=O Amb18831415 [0,0,0,1,0,1|1,0,1]=4 5256 B9R1.35 NC1CCC(C1)C(=O)O Amb10066880 [0,0,0,1,0,1|1,0,1]=4 5257 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [0,0,0,1,0,1|2,0,0]=4 5258 B9R1.35 NC=1NCC(N1)C(O)=O Amb25146049 [0,0,0,1,0,1|2,0,0]=4 5259 B9R1.35 N[C@@H]1CC(CC1)C(O)=O Amb25700807 [0,0,0,1,0,1|1,0,1]=4 5260 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O Amb10066881 [0,0,0,1,0,1|1,0,1]=4 5261 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O Amb10070446 [0,0,0,1,0,1|1,0,1]=4 5262 B9R1.35 N[C@@H]1C[C@@H](CC1)C(O)=O Amb22746692 [0,0,0,1,0,1|1,0,1]=4 5263 B9R1.35 N[C@@H]1C[C@@H](NC1)C(O)=O Amb22008702 [0,0,0,1,0,1|1,0,1]=4 5264 B9R1.35 N[C@@H]1C[C@@H](OC1)C(O)=O Amb24548389 [0,0,0,1,0,1|1,0,1]=4 5265 B9R1.35 N[C@@H]1C[C@H](CC1)C(O)=O Amb22756038 [0,0,0,1,0,1|1,0,1]=4 5266 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O Amb10603131 [0,0,0,1,0,1|1,0,1]=4 5267 B9R1.35 N[C@@H]1C[C@H](NC1)C(O)=O Amb22224945 [0,0,0,1,0,1|1,0,1]=4 5268 B9R1.35 N[C@@H]1C[C@H](OC1)C(O)=O Amb24117069 [0,0,0,1,0,1|1,0,1]=4 5269 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O Amb10066883 [0,0,0,1,0,1|1,0,1]=4 5270 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O Amb10070445 [0,0,0,1,0,1|1,0,1]=4 5271 B9R1.35 N[C@H]1C[C@@H](NC1)C(O)=O Amb19515889 [0,0,0,1,0,1|1,0,1]=4 5272 B9R1.35 N[C@H]1C[C@@H](OC1)C(O)=O Amb25691536 [0,0,0,1,0,1|1,0,1]=4 5273 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O Amb10603136 [0,0,0,1,0,1|1,0,1]=4 5274 B9R1.35 N[C@H]1C[C@H](NC1)C(O)=O Amb22386834 [0,0,0,1,0,1|1,0,1]=4 5275 B9R1.35 N[C@H]1C[C@H](OC1)C(O)=O Amb25799075 [0,0,0,1,0,1|1,0,1]=4 5276 B9R1.35 O=C1CC(CN1)C(=O)Cl Amb24742783 [0,0,0,1,0,1|1,0,0]=3 5277 B9R1.35 O=C1CC(CO1)C(=O)Cl Amb25146217 [0,0,0,1,0,1|1,0,0]=3 5278 B9R1.35 O=C1CC(CS1)C(=O)Cl Amb25689754 [0,0,0,1,0,1|1,0,0]=3 5279 B9R1.35 O=C1CC(NN1)C(=O)Cl Amb24062251 [0,0,0,1,0,1|2,0,0]=4 5280 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [0,0,0,1,0,1|0,0,1]=3 5281 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [0,0,0,1,0,1|1,0,0]=3 5282 B9R1.35 O=C1CCC(N1)C(=O)Cl Amb17142869 [0,0,0,1,0,1|2,0,0]=4 5283 B9R1.35 O=C1CCC(N1)C(=O)N Amb17142856 [0,0,0,1,0,1|2,0,0]=4 5284 B9R1.35 O=C1CCC(O1)C(=O)Cl Amb24648754 [0,0,0,1,0,1|1,0,0]=3 5285 B9R1.35 O=C1CCN(N1)C(=O)Cl Amb25720112 [0,0,0,1,0,1|2,0,0]=4 5286 B9R1.35 O=C1CC[C@@H](N1)C(=O)Cl Amb24746659 [0,0,0,1,0,1|2,0,0]=4 5287 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl Amb22747149 [0,0,0,1,0,1|1,0,0]=3 5288 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [0,0,0,1,0,1|1,0,0]=3 5289 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl Amb22388653 [0,0,0,1,0,1|1,0,0]=3 5290 B9R1.35 O=C1CSC(O1)C(=O)Cl Amb25724287 [0,0,0,1,0,1|1,0,0]=3 5291 B9R1.35 O=C1NCC(C1)C(=O)N Amb1803351 [0,0,0,1,0,1|1,0,0]=3 5292 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [0,0,0,1,0,1|0,0,0]=2 5293 B9R1.35 O=C1N[C@@H](CS1)C(=O)Cl Amb25112049 [0,0,0,1,0,1|2,0,0]=4 5294 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [0,0,0,1,0,1|1,0,0]=3 5295 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [0,0,0,1,0,1|0,0,0]=2 5296 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [0,0,0,1,0,1|1,0,0]=3 5297 B9R1.35 OB(O)C1COC(=O)C1 Amb24481982 [0,0,0,1,0,1|1,0,1]=4 5298 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [0,0,0,1,0,1|0,0,0]=2 5299 B9R1.35 OC(=O)C1CC(=O)NN1 Amb18642739 [0,0,0,1,0,1|1,0,0]=3 5300 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [0,0,0,1,0,1|0,0,0]=2 5301 B9R1.35 OC(=O)C1CC(Br)CN1 Amb25239348 [0,0,0,1,0,1|1,0,1]=4 5302 B9R1.35 OC(=O)C1CC(CN1)F Amb10608925 [0,0,0,1,0,1|1,0,1]=4 5303 B9R1.35 OC(=O)C1CC(CN1)S Amb10608928 [0,0,0,1,0,1|0,1,1]=4 5304 B9R1.35 OC(=O)C1CC(Cl)=CC1 Amb23594523 [0,0,0,1,0,1|1,0,0]=3 5305 B9R1.35 OC(=O)C1CC=C(Br)O1 Amb25251659 [0,0,0,1,0,1|1,0,1]=4 5306 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [0,0,0,1,0,1|1,0,0]=3 5307 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,0,1|1,0,0]=3 5308 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [0,0,0,1,0,1|1,0,0]=3 5309 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [0,0,0,1,0,1|1,1,0]=4 5310 B9R1.35 OC(=O)C1CCC(F)C1 Amb22886545 [0,0,0,1,0,1|1,0,1]=4 5311 B9R1.35 OC(=O)C1CCC(I)C1 Amb23456141 [0,0,0,1,0,1|1,0,1]=4 5312 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [0,0,0,1,0,1|1,0,0]=3 5313 B9R1.35 OC(=O)C1CNC(=O)S1 Amb24084914 [0,0,0,1,0,1|1,0,0]=3 5314 B9R1.35 OC(=O)C1CNC(=S)S1 Amb25180946 [0,0,0,1,0,1|1,1,0]=4 5315 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [0,0,0,1,0,1|1,0,0]=3 5316 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [0,0,0,1,0,1|1,0,0]=3 5317 B9R1.35 OC(=O)C1CSC(=O)S1 Amb23504458 [0,0,0,1,0,1|1,0,0]=3 5318 B9R1.35 OC(=O)C1C[C@H](F)CN1 Amb24598689 [0,0,0,1,0,1|1,0,1]=4 5319 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [0,0,0,1,0,1|1,0,0]=3 5320 B9R1.35 OC(=O)C=1CC(=O)NC1 Amb18832707 [0,0,0,1,0,1|0,0,2]=4 5321 B9R1.35 OC(=O)C=1CC(=O)NN1 Amb18278720 [0,0,0,1,0,1|1,0,1]=4 5322 B9R1.35 OC(=O)C=1CC(=O)ON1 Amb25700026 [0,0,0,1,0,1|1,0,1]=4 5323 B9R1.35 OC(=O)C=1COC(=O)C1 Amb18642559 [0,0,0,1,0,1|0,0,2]=4 5324 B9R1.35 OC(=O)C=1NC(=O)CN1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 5325 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [0,0,0,1,0,1|1,0,1]=4 5326 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [0,0,0,1,0,1|0,0,0]=2 5327 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [0,0,0,1,0,1|0,0,0]=2 5328 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [0,0,0,1,0,1|0,0,0]=2 5329 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [0,0,0,1,0,1|0,0,0]=2 5330 B9R1.35 OC(=O)[C@@H]1CC(F)CN1 Amb25123838 [0,0,0,1,0,1|1,0,1]=4 5331 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [0,0,0,1,0,1|1,0,0]=3 5332 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [0,0,0,1,0,1|1,0,0]=3 5333 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [0,0,0,1,0,1|1,0,0]=3 5334 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Br Amb10603137 [0,0,0,1,0,1|1,0,1]=4 5335 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F Amb10603139 [0,0,0,1,0,1|1,0,1]=4 5336 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)I Amb10603140 [0,0,0,1,0,1|1,0,1]=4 5337 B9R1.35 OC(=O)[C@@H]1C[C@@H](Cl)CN1 Amb24582915 [0,0,0,1,0,1|1,0,1]=4 5338 B9R1.35 OC(=O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,0,0,1,0,1|0,1,1]=4 5339 B9R1.35 OC(=O)[C@@H]1C[C@@H](S)CN1 Amb25245369 [0,0,0,1,0,1|0,1,1]=4 5340 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)Br Amb10603132 [0,0,0,1,0,1|1,0,1]=4 5341 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F Amb16232298 [0,0,0,1,0,1|1,0,1]=4 5342 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)I Amb10603134 [0,0,0,1,0,1|1,0,1]=4 5343 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,0,0,1,0,1|1,0,1]=4 5344 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [0,0,0,1,0,1|0,0,0]=2 5345 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [0,0,0,1,0,1|1,0,0]=3 5346 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [0,0,0,1,0,1|1,0,0]=3 5347 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F Amb10067741 [0,0,0,1,0,1|1,0,1]=4 5348 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F Amb10839999 [0,0,0,1,0,1|1,0,1]=4 5349 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,0,1|0,0,2]=4 5350 B9R1.35 OC1CNC(C1)C(=O)O Amb1151287 [0,0,0,1,0,1|0,0,2]=4 5351 B9R1.35 OC1CN[C@@H](C1)C(O)=O Amb25743296 [0,0,0,1,0,1|0,0,2]=4 5352 B9R1.35 OC1COC(C1)C(O)=O Amb18642869 [0,0,0,1,0,1|0,0,2]=4 5353 B9R1.35 O[13C](=O)[13CH]1[13CH2]SC(=S)N1 Amb17620633 [0,0,0,1,0,1|1,1,0]=4 5354 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,0,1|0,0,2]=4 5355 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,0,1|0,0,2]=4 5356 B9R1.35 O[C@@H]1CNC(C1)C(O)=O Amb25118054 [0,0,0,1,0,1|0,0,2]=4 5357 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O Amb22748218 [0,0,0,1,0,1|0,0,2]=4 5358 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O Amb16230723 [0,0,0,1,0,1|0,0,2]=4 5359 B9R1.35 O[C@@H]1CO[C@@H](C1)C(O)=O Amb24501449 [0,0,0,1,0,1|0,0,2]=4 5360 B9R1.35 O[C@@H]1CO[C@H](C1)C(O)=O Amb24501448 [0,0,0,1,0,1|0,0,2]=4 5361 B9R1.35 O[C@H]1CNC(C1)C(O)=O Amb24682710 [0,0,0,1,0,1|0,0,2]=4 5362 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O Amb1994991 [0,0,0,1,0,1|0,0,2]=4 5363 B9R1.35 [15NH2][13C]1=[15N]C(CS1)C(O)=O Amb22054325 [0,0,0,1,0,1|2,0,0]=4 5364 B9R1.46 C=C1CC1NCC(O)=O Amb24402024 [0,0,0,1,0,1|1,0,0]=3 5365 B9R1.46 CC1CC1NCC(O)=O Amb18993215 [0,0,0,1,0,1|1,0,1]=4 5366 B9R1.49 C=C1CCCC(=O)CC1 Amb24633527 [0,0,0,1,0,1|2,0,0]=4 5367 B9R1.49 CC1COC(=O)NCC1 Amb24393355 [0,0,0,1,0,1|1,0,1]=4 5368 B9R1.49 O=C1CC=CC(=O)CC1 Amb25229531 [0,0,0,1,0,1|1,0,1]=4 5369 B9R1.49 O=C1CCC(=O)NCC1 Amb22490261 [0,0,0,1,0,1|1,0,0]=3 5370 B9R1.49 O=C1CCC(=O)OCC1 Amb25723209 [0,0,0,1,0,1|1,0,0]=3 5371 B9R1.49 O=C1CCCC(=O)CC1 Amb25797316 [0,0,0,1,0,1|1,0,0]=3 5372 B9R1.49 O=C1CCOC(=O)C=C1 Amb25759100 [0,0,0,1,0,1|1,0,1]=4 5373 B9R1.49 O=C1CNC(=O)CCC1 Amb25144028 [0,0,0,1,0,1|1,0,0]=3 5374 B9R1.49 O=C1CNC(=O)CCN1 Amb24715756 [0,0,0,1,0,1|1,0,0]=3 5375 B9R1.49 O=C1CNC(=O)NCC1 Amb25772112 [0,0,0,1,0,1|1,0,0]=3 5376 B9R1.49 OC1CCOC(=O)CC1 Amb23598292 [0,0,0,1,0,1|1,0,1]=4 5377 B9R1.49 O[C@@H]1CCCC(=O)CC1 Amb24689806 [0,0,0,1,0,1|1,0,1]=4 5378 B9R1.53 CC(=C)CC1CC(=O)N1 Amb25122775 [0,0,0,1,0,1|2,0,0]=4 5379 B9R1.53 CC(=C)C[C@@H]1CC(=O)N1 Amb25368714 [0,0,0,1,0,1|2,0,0]=4 5380 B9R1.53 CC(=O)CN1CC(O)C1 Amb25231501 [0,0,0,1,0,1|1,0,1]=4 5381 B9R1.53 CC(=O)NC1CC(=C)C1 Amb25214195 [0,0,0,1,0,1|2,0,0]=4 5382 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [0,0,0,1,0,1|1,0,0]=3 5383 B9R1.53 CC(=O)OC=1CC(=O)C1 Amb25086351 [0,0,0,1,0,1|1,0,1]=4 5384 B9R1.53 CC(=O)O[C@@H]1C[C@@H](O)C1 Amb25777769 [0,0,0,1,0,1|1,0,1]=4 5385 B9R1.53 CC(=O)SC1CC(O)C1 Amb24732003 [0,0,0,1,0,1|1,0,1]=4 5386 B9R1.53 CC(=O)S[C@@H]1CC(=O)N1 Amb24606560 [0,0,0,1,0,1|1,0,0]=3 5387 B9R1.53 CC(=O)S[C@@H]1C[C@@H](O)C1 Amb25344944 [0,0,0,1,0,1|1,0,1]=4 5388 B9R1.53 C[C@@H]1C[C@H](CC(O)=O)C1 Amb24372826 [0,0,0,1,0,1|1,0,1]=4 5389 B9R1.53 NC1CC(CC(O)=O)C1 Amb23440231 [0,0,0,1,0,1|1,0,1]=4 5390 B9R1.53 NC1CN(C1)CC(O)=O Amb25347187 [0,0,0,1,0,1|1,0,1]=4 5391 B9R1.53 N[C@@H]1C[C@@H](CC(O)=O)C1 Amb23440233 [0,0,0,1,0,1|1,0,1]=4 5392 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb23440232 [0,0,0,1,0,1|1,0,1]=4 5393 B9R1.53 N[C@@H]1C[C@H](CC(O)=O)C1 Amb24056536 [0,0,0,1,0,1|1,0,1]=4 5394 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,0,1|0,0,0]=2 5395 B9R1.53 OC(=O)CC1CC(Cl)C1 Amb25145965 [0,0,0,1,0,1|1,0,1]=4 5396 B9R1.53 OC(=O)\C=C/1\CC(=O)N1 Amb25845188 [0,0,0,1,0,1|0,0,2]=4 5397 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [0,0,0,1,0,1|0,0,2]=4 5398 B9R1.53 OC1CN(C1)CC(O)=O Amb25339150 [0,0,0,1,0,1|0,0,2]=4 5399 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [0,0,0,1,0,1|0,0,2]=4 5400 B9R1.66 CC1(C)CCNC(=O)O1 Amb25083672 [0,0,0,1,0,1|1,0,1]=4 5401 B9R1.66 CC1(O)CC(=O)NCC1 Amb24548836 [0,0,0,1,0,1|1,0,1]=4 5402 B9R1.66 CC1(O)CCOC(=O)[13CH2]1 Amb22353493 [0,0,0,1,0,1|1,0,1]=4 5403 B9R1.66 CC1(O)C[13CH2]CC(=O)C1 Amb22367566 [0,0,0,1,0,1|1,0,1]=4 5404 B9R1.66 C[C@@]1(O)CC(=O)OCC1 Amb22800043 [0,0,0,1,0,1|1,0,1]=4 5405 B9R1.66 C[C@]1(O)CC(=O)OCC1 Amb22388612 [0,0,0,1,0,1|1,0,1]=4 5406 B9R1.66 O=C1CCCS(=O)(=O)C1 Amb13953230 [0,0,0,1,0,1|1,0,1]=4 5407 B9R1.66 O=C1CS(=O)(=O)CCN1 Amb21912472 [0,0,0,1,0,1|1,0,1]=4 5408 B9R1.66 OC1(Cl)CC(=O)CCC1 Amb24576033 [0,0,0,1,0,1|1,0,1]=4 5409 B9R1.66 [13CH3]C1(O)CC(=O)OCC1 Amb22367288 [0,0,0,1,0,1|1,0,1]=4 5410 B9R1.85 OC(=O)CCCC1CC1 Amb18832629 [0,0,0,1,0,1|1,0,1]=4 5411 B9R1.85 OC(=O)CCC[C@H]1CO1 Amb24427275 [0,0,0,1,0,1|0,0,2]=4 5412 B9R1.85 OC(=O)CCNC1CC1 Amb1106410 [0,0,0,1,0,1|1,0,1]=4 5413 B9R1.85 OC(=O)CCSC1CC1 Amb25221891 [0,0,0,1,0,1|1,0,1]=4 5414 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [0,0,0,1,0,1|1,0,0]=3 5415 B9R1.161 CC(=O)C1=NC1C(C)=O Amb25728261 [0,0,0,1,0,1|1,0,1]=4 5416 B9R1.161 CC(=O)C1CC1C(=C)Cl Amb24340211 [0,0,0,1,0,1|2,0,0]=4 5417 B9R1.161 CC(=O)C1CC1[N+]([O-])=O Amb24332026 [0,0,0,1,0,1|1,0,1]=4 5418 B9R1.161 CC(=O)C1C[C@H]1C(C)=O Amb25319021 [0,0,0,1,0,1|1,0,0]=3 5419 B9R1.161 CC(=O)C1OC1C(C)=C Amb24520738 [0,0,0,1,0,1|2,0,0]=4 5420 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [0,0,0,1,0,1|0,0,0]=2 5421 B9R1.161 CC(=O)N1C=C1C(O)=O Amb25285793 [0,0,0,1,0,1|0,0,2]=4 5422 B9R1.161 CC(=O)[C@H]1O[C@H]1C(C)=C Amb25163815 [0,0,0,1,0,1|2,0,0]=4 5423 B9R1.161 CC(C)C1CC1C(O)=O Amb18285139 [0,0,0,1,0,1|1,0,1]=4 5424 B9R1.161 CC(C)[C@@H]1O[C@@H]1C(O)=O Amb24546994 [0,0,0,1,0,1|1,0,1]=4 5425 B9R1.161 CC(C)[C@H]1O[C@@H]1C(O)=O Amb25229035 [0,0,0,1,0,1|1,0,1]=4 5426 B9R1.161 CC(O)C1OC1C(O)=O Amb25227852 [0,0,0,1,0,1|0,0,2]=4 5427 B9R1.161 C[C@@H](O)[C@H]1O[C@@H]1C(O)=O Amb25224671 [0,0,0,1,0,1|0,0,2]=4 5428 B9R1.161 C[C@H](O)[C@@H]1O[C@@H]1C(O)=O Amb25368573 [0,0,0,1,0,1|0,0,2]=4 5429 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,1|1,0,0]=3 5430 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [0,0,0,1,0,1|1,0,0]=3 5431 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [0,0,0,1,0,1|1,0,0]=3 5432 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [0,0,0,1,0,1|2,0,0]=4 5433 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [0,0,0,1,0,1|2,0,0]=4 5434 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [0,0,0,1,0,1|2,0,0]=4 5435 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [0,0,0,1,0,1|1,0,0]=3 5436 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,1|2,0,0]=4 5437 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|1,0,0]=3 5438 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [0,0,0,1,0,1|1,0,0]=3 5439 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [0,0,0,1,0,1|1,0,0]=3 5440 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,0,0,1,0,1|1,0,0]=3 5441 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,0,0,1,0,1|1,0,0]=3 5442 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,0,0,1,0,1|1,0,0]=3 5443 B9R1.161 [O-]C(=O)[C@@H]1N[C@H]1C([O-])=O Amb24120358 [0,0,0,1,0,1|1,0,1]=4 5444 B9R1.161 [O-]C(=O)[C@@H]1O[C@@H]1C(=O)[O-] Amb17608755 [0,0,0,1,0,1|1,0,1]=4 5445 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [0,0,0,1,0,1|2,0,0]=4 5446 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [0,0,0,1,0,1|2,0,0]=4 5447 B9R1.166 CC(=O)C1CCS1(=O)=O Amb25189242 [0,0,0,1,0,1|1,0,1]=4 5448 B9R1.166 CC1(C)CCC1C(O)=O Amb25032090 [0,0,0,1,0,1|1,0,1]=4 5449 B9R1.166 CC1(C)CNC1C(O)=O Amb24117326 [0,0,0,1,0,1|1,0,1]=4 5450 B9R1.170 CC1(C)CC1CC(O)=O Amb25145962 [0,0,0,1,0,1|1,0,1]=4 5451 B9R1.170 CC1(C)O[C@H]1CC(O)=O Amb25719083 [0,0,0,1,0,1|1,0,1]=4 5452 B9R1.1 CC=1CCC(=NN1)OC Amb24119171 [0,1,0,1,0,0|2,0,0]=4 5453 B9R1.1 CCC=1CCC(=O)NN1 Amb24061570 [0,1,0,1,0,0|2,0,0]=4 5454 B9R1.1 COC1CCC(=O)CC1 Amb2385260 [0,1,0,1,0,0|1,0,1]=4 5455 B9R1.1 COC=1CNC(=O)CN1 Amb25146160 [0,1,0,1,0,0|2,0,0]=4 5456 B9R1.1 CON1CCC(=O)CC1 Amb20670427 [0,1,0,1,0,0|2,0,0]=4 5457 B9R1.1 O=C1CCC(=CC1)C=O Amb18642167 [0,1,0,1,0,0|1,0,0]=3 5458 B9R1.1 O=CN1CCC(=O)CC1 Amb22059518 [0,1,0,1,0,0|2,0,0]=4 5459 B9R1.1 O=NN1CCC(=O)CC1 Amb25726262 [0,1,0,1,0,0|2,0,0]=4 5460 B9R1.1 OCC1CCC(=O)CC1 Amb10071596 [0,1,0,1,0,0|1,0,1]=4 5461 B9R1.1 OCC1CCC(=O)CN1 Amb25207554 [0,1,0,1,0,0|1,0,1]=4 5462 B9R1.1 ON=C1CCS(=O)CC1 Amb21988463 [0,1,0,1,0,0|2,0,0]=4 5463 B9R1.1 ON=C1CNC(=O)CN1 Amb25791131 [0,1,0,1,0,0|2,0,0]=4 5464 B9R1.10 CC1(C)CCC(=O)CO1 Amb22489817 [0,1,0,1,0,0|1,0,1]=4 5465 B9R1.10 CC1(O)CCC(=O)CC1 Amb22235468 [0,1,0,1,0,0|1,0,1]=4 5466 B9R1.10 CC1(O)CNC(=O)CC1 Amb22728074 [0,1,0,1,0,0|1,0,1]=4 5467 B9R1.55 CC(=C)C1NC(=O)C1C Amb24553353 [0,1,0,1,0,0|2,0,0]=4 5468 B9R1.55 CC(C)C1OC(=O)C1O Amb25680475 [0,1,0,1,0,0|1,0,1]=4 5469 B9R1.55 CC1C(CC1C)C(O)=O Amb23456159 [0,1,0,1,0,0|1,0,1]=4 5470 B9R1.55 CC1C(NC1=O)C(O)=O Amb25339232 [0,1,0,1,0,0|1,0,0]=3 5471 B9R1.55 CC1C(OC1=O)C(C)O Amb25177629 [0,1,0,1,0,0|0,0,2]=4 5472 B9R1.55 CN1C(CC1=O)C(O)=O Amb22011579 [0,1,0,1,0,0|0,0,0]=2 5473 B9R1.55 CN1CC(C1=O)C(=O)O Amb17593354 [0,1,0,1,0,0|1,0,0]=3 5474 B9R1.55 C[C@@H]1C[C@@H](C(O)=O)N1C Amb24683087 [0,1,0,1,0,0|1,0,1]=4 5475 B9R1.55 C[C@H]1[C@@H](C[C@H]1C)C(O)=O Amb24745807 [0,1,0,1,0,0|1,0,1]=4 5476 B9R1.55 C[C@H]1[C@H](C[C@@H]1C)C(O)=O Amb24629706 [0,1,0,1,0,0|1,0,1]=4 5477 B9R1.55 N[C@@H]1[C@H](C[C@@H]1O)C(O)=O Amb24514844 [0,1,0,1,0,0|0,0,2]=4 5478 B9R1.67 CC(=O)CC1CCC1=O Amb24434546 [0,1,0,1,0,0|1,0,0]=3 5479 B9R1.67 CC(=O)CN1CCC1=O Amb24566627 [0,1,0,1,0,0|2,0,0]=4 5480 B9R1.67 CC(=O)NC1CCC1=O Amb22896798 [0,1,0,1,0,0|2,0,0]=4 5481 B9R1.67 CC(=O)OC1CNC1=O Amb22492524 [0,1,0,1,0,0|2,0,0]=4 5482 B9R1.67 CC1CCC1CC(O)=O Amb24466547 [0,1,0,1,0,0|1,0,1]=4 5483 B9R1.67 N[C@H]1CC[C@@H]1CC(O)=O Amb24700074 [0,1,0,1,0,0|1,0,1]=4 5484 B9R1.67 OC(=O)CN1CCC1=O Amb25368422 [0,1,0,1,0,0|1,0,0]=3 5485 B9R1.69 C=C1CC(=O)C(=C)CC1 Amb25759622 [0,1,0,1,0,0|2,0,0]=4 5486 B9R1.69 C=C1CNC(=O)OC1=O Amb25757433 [0,1,0,1,0,0|1,0,1]=4 5487 B9R1.69 CC1=CCC(=O)NC1=O Amb25087726 [0,1,0,1,0,0|1,0,1]=4 5488 B9R1.69 CC1=C[C@@H](O)CCC1=O Amb24686529 [0,1,0,1,0,0|1,0,1]=4 5489 B9R1.69 CC1=C[C@H](O)CCC1=O Amb24524508 [0,1,0,1,0,0|1,0,1]=4 5490 B9R1.69 CC1CC(=O)CCC1O Amb20171463 [0,1,0,1,0,0|1,0,1]=4 5491 B9R1.69 CC1CC(O)C(=O)CC1 Amb25333970 [0,1,0,1,0,0|1,0,1]=4 5492 B9R1.69 CC1CC(O)CCC1=O Amb25086312 [0,1,0,1,0,0|1,0,1]=4 5493 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [0,1,0,1,0,0|1,0,1]=4 5494 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [0,1,0,1,0,0|1,0,1]=4 5495 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,1,0,0|0,0,1]=3 5496 B9R1.69 CC1CCC(O)=CC1=O Amb24532888 [0,1,0,1,0,0|1,0,1]=4 5497 B9R1.69 CC1COC(=O)C(C)C1 Amb24354559 [0,1,0,1,0,0|1,0,1]=4 5498 B9R1.69 CC1COC(=O)CC1O Amb25781910 [0,1,0,1,0,0|1,0,1]=4 5499 B9R1.69 CC1NC(=O)CNC1=O Amb24477892 [0,1,0,1,0,0|2,0,0]=4 5500 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,1,0,1,0,0|1,0,0]=3 5501 B9R1.69 CC1NC(=O)OCC1=O Amb25685634 [0,1,0,1,0,0|1,0,0]=3 5502 B9R1.69 CC1OC(=O)CCC1O Amb24524239 [0,1,0,1,0,0|0,0,2]=4 5503 B9R1.69 CC1OC(=O)CNC1=O Amb25145608 [0,1,0,1,0,0|1,0,0]=3 5504 B9R1.69 CC1OC(O)CCC1=O Amb25050192 [0,1,0,1,0,0|0,0,2]=4 5505 B9R1.69 CC1SC(=O)CNC1=O Amb24746743 [0,1,0,1,0,0|1,1,0]=4 5506 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [0,1,0,1,0,0|1,0,1]=4 5507 B9R1.69 CC=1CCC(=C)C(=O)C1 Amb25133380 [0,1,0,1,0,0|2,0,0]=4 5508 B9R1.69 CC=1CCC(=O)N(C)C1 Amb25137522 [0,1,0,1,0,0|2,0,0]=4 5509 B9R1.69 CC=1CC[C@@H](O)C(=O)C1 Amb24422729 [0,1,0,1,0,0|1,0,1]=4 5510 B9R1.69 CC=1COC(=O)C(C)N1 Amb24353611 [0,1,0,1,0,0|2,0,0]=4 5511 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,1,0,1,0,0|1,0,0]=3 5512 B9R1.69 CN1CC(=O)NCC1=O Amb24271107 [0,1,0,1,0,0|2,0,0]=4 5513 B9R1.69 CN1CC(O)CCC1=O Amb22304825 [0,1,0,1,0,0|1,0,1]=4 5514 B9R1.69 CN1CCC(=O)NC1=O Amb2389875 [0,1,0,1,0,0|2,0,0]=4 5515 B9R1.69 C[C@@H]1C[C@H](O)C(=O)CC1 Amb25286475 [0,1,0,1,0,0|1,0,1]=4 5516 B9R1.69 C[C@@H]1NC(=O)CNC1=O Amb22233064 [0,1,0,1,0,0|2,0,0]=4 5517 B9R1.69 C[C@@H]1NC(=O)OCC1=O Amb24745337 [0,1,0,1,0,0|1,0,0]=3 5518 B9R1.69 C[C@@H]1OC(=O)C=CC1=O Amb24633316 [0,1,0,1,0,0|0,0,2]=4 5519 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O Amb25202720 [0,1,0,1,0,0|1,0,1]=4 5520 B9R1.69 C[C@H]1CCC(=O)CS1=O Amb25782562 [0,1,0,1,0,0|1,0,1]=4 5521 B9R1.69 C[C@H]1CCC(=O)NC1=O Amb24478802 [0,1,0,1,0,0|1,0,1]=4 5522 B9R1.69 C[C@H]1COC(=O)C[C@H]1O Amb24516166 [0,1,0,1,0,0|1,0,1]=4 5523 B9R1.69 C[C@H]1NC(=O)CNC1=O Amb25726602 [0,1,0,1,0,0|2,0,0]=4 5524 B9R1.69 C[C@H]1OC(=O)CCC1=O Amb25749526 [0,1,0,1,0,0|0,0,0]=2 5525 B9R1.69 C[C@H]1OC(=O)CC[C@@H]1O Amb25350343 [0,1,0,1,0,0|0,0,2]=4 5526 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [0,1,0,1,0,0|1,0,1]=4 5527 B9R1.69 O=C1CC(=O)C(Br)CC1 Amb25234901 [0,1,0,1,0,0|1,0,1]=4 5528 B9R1.69 O=C1CC(Br)C(=O)CC1 Amb25775016 [0,1,0,1,0,0|1,0,0]=3 5529 B9R1.69 O=C1CC(Cl)C(=O)CC1 Amb24452362 [0,1,0,1,0,0|1,0,0]=3 5530 B9R1.69 O=C1CCC(=O)OC1=O Amb24620117 [0,1,0,1,0,0|0,0,1]=3 5531 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,1,0,0|1,0,1]=4 5532 B9R1.69 O=C1CCC(Cl)C(=O)O1 Amb25060552 [0,1,0,1,0,0|1,0,1]=4 5533 B9R1.69 O=C1CN(P)C(=O)CC1 Amb25854386 [0,1,0,1,0,0|1,0,0]=3 5534 B9R1.69 O=C1CNC(=O)CN1Cl Amb25727202 [0,1,0,1,0,0|2,0,0]=4 5535 B9R1.69 OC1=CC(=O)CCC1=O Amb25046310 [0,1,0,1,0,0|0,0,1]=3 5536 B9R1.69 OC1=CCC(=O)NC1=O Amb25859496 [0,1,0,1,0,0|1,0,1]=4 5537 B9R1.69 OC1CC(=O)CCC1O Amb24384658 [0,1,0,1,0,0|0,0,2]=4 5538 B9R1.69 OC1CCC(=O)OC1=O Amb25728114 [0,1,0,1,0,0|1,0,1]=4 5539 B9R1.69 OC1COC(=O)CC1O Amb25057673 [0,1,0,1,0,0|0,0,2]=4 5540 B9R1.80 COC(=O)CCC1CC1 Amb24615342 [0,1,0,1,0,0|1,0,1]=4 5541 B9R1.80 COC(=O)CCC1CO1 Amb25377501 [0,1,0,1,0,0|0,0,2]=4 5542 B9R1.82 C=C(CO)C1CC(=O)N1 Amb25253257 [0,1,0,1,0,0|2,0,0]=4 5543 B9R1.82 C=C1CC(C1)C(=O)NN Amb22896749 [0,1,0,1,0,0|2,0,0]=4 5544 B9R1.82 CC(=C=C)C1CC(=O)N1 Amb24712485 [0,1,0,1,0,0|2,0,0]=4 5545 B9R1.82 CC(C=O)C1CC(=O)N1 Amb24374664 [0,1,0,1,0,0|1,0,1]=4 5546 B9R1.82 CC(C=O)[C@H]1CC(=O)N1 Amb25797916 [0,1,0,1,0,0|1,0,1]=4 5547 B9R1.82 CC1CC(C1)C(=O)OC Amb25771219 [0,1,0,1,0,0|1,0,1]=4 5548 B9R1.82 CC1CC(O1)C(=O)OC Amb22737249 [0,1,0,1,0,0|0,0,2]=4 5549 B9R1.82 CCC(=O)N1CC(=O)C1 Amb25357455 [0,1,0,1,0,0|2,0,0]=4 5550 B9R1.82 CCC(Cl)C1CC(=O)O1 Amb24433017 [0,1,0,1,0,0|1,0,1]=4 5551 B9R1.82 CCC(O)C1CC(=O)O1 Amb24420833 [0,1,0,1,0,0|0,0,2]=4 5552 B9R1.82 CCS(=O)C1CC(=O)N1 Amb25709576 [0,1,0,1,0,0|2,0,0]=4 5553 B9R1.82 CNC(=O)C1CC(=O)C1 Amb23512862 [0,1,0,1,0,0|1,0,0]=3 5554 B9R1.82 CNC(=O)C1CC(O)C1 Amb19888985 [0,1,0,1,0,0|1,0,1]=4 5555 B9R1.82 COC(=O)C1CC(=C)C1 Amb21962131 [0,1,0,1,0,0|1,0,0]=3 5556 B9R1.82 COC(=O)C1CC(=O)C1 Amb17597687 [0,1,0,1,0,0|0,0,0]=2 5557 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,1,0,1,0,0|1,0,0]=3 5558 B9R1.82 COC(=O)C1CC(Br)C1 Amb23439345 [0,1,0,1,0,0|1,0,1]=4 5559 B9R1.82 COC(=O)C1CC(Cl)C1 Amb21962427 [0,1,0,1,0,0|1,0,1]=4 5560 B9R1.82 COC(=O)C1CC(F)C1 Amb24480349 [0,1,0,1,0,0|1,0,1]=4 5561 B9R1.82 COC(=O)C1CC(N)C1 Amb20622659 [0,1,0,1,0,0|1,0,1]=4 5562 B9R1.82 COC(=O)C1CC(N)C1 Amb21963494 [0,1,0,1,0,0|1,0,1]=4 5563 B9R1.82 COC(=O)C1CC(O)C1 Amb19516177 [0,1,0,1,0,0|0,0,2]=4 5564 B9R1.82 COC(=O)N1CC(=O)C1 Amb24078331 [0,1,0,1,0,0|1,0,0]=3 5565 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,1,0,1,0,0|1,0,0]=3 5566 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,1,0,1,0,0|1,1,0]=4 5567 B9R1.82 COC(=O)[C@@H]1C[C@@H](Br)C1 Amb23439405 [0,1,0,1,0,0|1,0,1]=4 5568 B9R1.82 COC(=O)[C@@H]1C[C@@H](N)C1 Amb19148540 [0,1,0,1,0,0|1,0,1]=4 5569 B9R1.82 COC(=O)[C@@H]1C[C@@H](N)C1 Amb22747954 [0,1,0,1,0,0|1,0,1]=4 5570 B9R1.82 COC(=O)[C@@H]1C[C@@H](O)C1 Amb22746996 [0,1,0,1,0,0|0,0,2]=4 5571 B9R1.82 COC(=O)[C@@H]1C[C@H](N)C1 Amb22757971 [0,1,0,1,0,0|1,0,1]=4 5572 B9R1.82 COC(=O)[C@@H]1C[C@H](O)C1 Amb22754751 [0,1,0,1,0,0|0,0,2]=4 5573 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 Amb24361749 [0,1,0,1,0,0|1,0,1]=4 5574 B9R1.82 COC(=O)[C@H]1C[C@@H](Cl)C1 Amb25032105 [0,1,0,1,0,0|1,0,1]=4 5575 B9R1.82 C[C@@H](CO)[C@H]1CC(=O)O1 Amb24675614 [0,1,0,1,0,0|0,0,2]=4 5576 B9R1.82 C[C@@H]1C[C@H](O1)C(=O)OC Amb24056487 [0,1,0,1,0,0|0,0,2]=4 5577 B9R1.82 O\N=C(\C1CC(=C)C1)/N Amb16231368 [0,1,0,1,0,0|2,0,0]=4 5578 B9R1.84 CC(=O)CCC=1CCC1 Amb25358814 [0,1,0,1,0,0|2,0,0]=4 5579 B9R1.84 OC(=O)CCN1CCC1 Amb22292346 [0,1,0,1,0,0|2,0,0]=4 5580 B9R1.86 OC(=O)CC1CC1CBr Amb25269489 [0,1,0,1,0,0|1,0,1]=4 5581 B9R1.86 OC(=O)CN1CC1C=O Amb24078335 [0,1,0,1,0,0|1,0,1]=4 5582 B9R1.95 CCC1CC(C1)C(O)=O Amb23456004 [0,1,0,1,0,0|1,0,1]=4 5583 B9R1.95 CCN1CC(C1)C(O)=O Amb24117130 [0,1,0,1,0,0|2,0,0]=4 5584 B9R1.95 CC[C@@H]1C[C@@H](C1)C(O)=O Amb25129624 [0,1,0,1,0,0|1,0,1]=4 5585 B9R1.95 CNC1CC(C1)C(O)=O Amb20622656 [0,1,0,1,0,0|1,0,1]=4 5586 B9R1.95 COC1CC(C1)C(C)=O Amb24595933 [0,1,0,1,0,0|1,0,1]=4 5587 B9R1.95 CO[C@@H]1C[C@@H](C1)C(O)=O Amb23440276 [0,1,0,1,0,0|0,0,2]=4 5588 B9R1.95 CO[C@@H]1C[C@H](C1)C(O)=O Amb23440277 [0,1,0,1,0,0|0,0,2]=4 5589 B9R1.95 NC(=O)C1CN(C1)C=O Amb24565344 [0,1,0,1,0,0|2,0,0]=4 5590 B9R1.95 NN=C1CC(C1)C(O)=O Amb23570285 [0,1,0,1,0,0|1,0,0]=3 5591 B9R1.95 OC(=O)C1CC(C1)=NO Amb23452648 [0,1,0,1,0,0|0,0,1]=3 5592 B9R1.95 OC(=O)C1CC(CBr)C1 Amb19958667 [0,1,0,1,0,0|1,0,1]=4 5593 B9R1.95 OC(=O)[C@H]1C[C@@H](CBr)C1 Amb25116147 [0,1,0,1,0,0|1,0,1]=4 5594 B9R1.95 OCC1CC(C1)C(O)=O Amb22002175 [0,1,0,1,0,0|0,0,2]=4 5595 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [0,1,0,1,0,0|1,0,1]=4 5596 B9R1.125 CC1(CCC(=O)O1)C#C Amb25277305 [0,1,0,1,0,0|1,0,1]=4 5597 B9R1.125 CC1(CO)CCC(=O)O1 Amb24424055 [0,1,0,1,0,0|0,0,2]=4 5598 B9R1.125 C[C@@]1(CBr)CCC(=O)O1 Amb24480303 [0,1,0,1,0,0|1,0,1]=4 5599 B9R1.125 C[C@]1(CBr)CCC(=O)O1 Amb24425525 [0,1,0,1,0,0|1,0,1]=4 5600 B9R1.125 C[C@]1(CCC(=O)N1)C=O Amb25207935 [0,1,0,1,0,0|1,0,1]=4 5601 B9R1.127 CC1(CC1C(O)=O)CO Amb24529046 [0,1,0,1,0,0|0,0,2]=4 5602 B9R1.127 CCC1(C)CC1C(O)=O Amb18285802 [0,1,0,1,0,0|1,0,1]=4 5603 B9R1.127 C[C@@]1(CN)C[C@H]1C(O)=O Amb24517240 [0,1,0,1,0,0|1,0,1]=4 5604 B9R1.127 OC[C@@]1(Cl)C[C@H]1C(O)=O Amb24511974 [0,1,0,1,0,0|1,0,1]=4 5605 B9R1.127 OC[C@]1(Cl)C[C@H]1C(O)=O Amb25201489 [0,1,0,1,0,0|1,0,1]=4 5606 B9R1.138 CC1(C)CCC(=O)C1O Amb24422474 [0,1,0,1,0,0|1,0,1]=4 5607 B9R1.138 CC1(O)CCC(=O)C1Cl Amb24480148 [0,1,0,1,0,0|1,0,1]=4 5608 B9R1.138 CC1C(=O)CCC1(C)O Amb25263522 [0,1,0,1,0,0|1,0,1]=4 5609 B9R1.138 CN1C(=O)CCC1(C)O Amb25221199 [0,1,0,1,0,0|1,0,1]=4 5610 B9R1.138 C[C@@H]1C(=O)CC[C@@]1(C)O Amb25358833 [0,1,0,1,0,0|1,0,1]=4 5611 B9R1.138 O=C1CCS(=O)(=O)C1Br Amb24122669 [0,1,0,1,0,0|1,0,1]=4 5612 B9R1.138 O=C1CCS(=O)(=O)C1S Amb25094383 [0,1,0,1,0,0|1,0,1]=4 5613 B9R1.147 CC(=O)CCC1(O)CC1 Amb25278414 [0,1,0,1,0,0|1,0,1]=4 5614 B9R1.147 CC1(CCC(O)=O)N=N1 Amb25840850 [0,1,0,1,0,0|1,0,1]=4 5615 B9R1.147 NC1(CCC(O)=O)CC1 Amb18832570 [0,1,0,1,0,0|1,0,1]=4 5616 B9R1.185 CC1(C)C[C@@H]1C(=O)NO Amb25686884 [0,1,0,1,0,0|1,0,1]=4 5617 B9R1.185 COC(=O)C1CC1(C)C Amb25762943 [0,1,0,1,0,0|1,0,1]=4 5618 B9R1.185 COC(=O)[C@H]1CC1(C)C Amb25297242 [0,1,0,1,0,0|1,0,1]=4 5619 B9R1.36 CC1(C)CC(Br)C(=O)O1 Amb24340074 [0,1,0,1,0,0|1,0,1]=4 5620 B9R1.36 CC1(C)CC(Cl)C(=O)O1 Amb24513845 [0,1,0,1,0,0|1,0,1]=4 5621 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,1,0,1,0,0|1,0,1]=4 5622 B9R1.36 CC1(C)CC(O)C(=O)O1 Amb25245118 [0,1,0,1,0,0|1,0,1]=4 5623 B9R1.36 CC1(C)C[C@H](Cl)C(=O)O1 Amb25743067 [0,1,0,1,0,0|1,0,1]=4 5624 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,1,0,1,0,0|1,0,1]=4 5625 B9R1.36 CC1CC(C)(C)OC1=O Amb24444118 [0,1,0,1,0,0|1,0,1]=4 5626 B9R1.36 O=C1CS(=O)(=O)CC1Br Amb22229670 [0,1,0,1,0,0|1,0,1]=4 5627 B9R1.38 CC1(Br)OC(=O)CC1Br Amb25126951 [0,1,0,1,0,0|1,0,1]=4 5628 B9R1.38 CC1(C)OC(=O)CC1Br Amb25831430 [0,1,0,1,0,0|1,0,1]=4 5629 B9R1.38 CC1(C)OC(=O)CC1Cl Amb24552388 [0,1,0,1,0,0|1,0,1]=4 5630 B9R1.38 CC1(C)OC(=O)CC1O Amb25198591 [0,1,0,1,0,0|1,0,1]=4 5631 B9R1.44 CC1C[C@]1(N)CC(O)=O Amb25844887 [0,1,0,1,0,0|1,0,1]=4 5632 B9R1.44 C[C@@H]1C[C@@]1(N)CC(O)=O Amb24540980 [0,1,0,1,0,0|1,0,1]=4 5633 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [0,1,0,1,0,0|1,0,0]=3 5634 B9R1.45 CC(C1CC1C)C(O)=O Amb25708709 [0,1,0,1,0,0|1,0,1]=4 5635 B9R1.45 NC([C@H]1C[C@@H]1N)C(O)=O Amb25245366 [0,1,0,1,0,0|1,0,1]=4 5636 B9R1.112 NC(CC1CC1)C(O)=O Amb23399727 [0,1,0,1,0,0|1,0,1]=4 5637 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [0,1,0,1,0,0|0,0,2]=4 5638 B9R1.112 N[C@@H](CC1CC1)C(O)=O Amb24329024 [0,1,0,1,0,0|1,0,1]=4 5639 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [0,1,0,1,0,0|0,0,2]=4 5640 B9R1.112 OC(=O)C(S)CC1CC1 Amb18296302 [0,1,0,1,0,0|1,0,1]=4 5641 B9R1.112 OC(=O)[C@H](Br)CC1CC1 Amb24480301 [0,1,0,1,0,0|1,0,1]=4 5642 B9R1.112 OC(CC1CC1)C(O)=O Amb25082516 [0,1,0,1,0,0|1,0,1]=4 5643 B9R1.112 O[C@@H](CC1CC1)C(O)=O Amb23401512 [0,1,0,1,0,0|1,0,1]=4 5644 B9R1.137 N[C@H](CC(O)=O)C1CC1 Amb24349802 [0,1,0,1,0,0|1,0,1]=4 5645 B9R1.137 OC(C1CC1)CC(=O)O Amb17231863 [0,1,0,1,0,0|1,0,1]=4 5646 B9R1.137 OC(CC(O)=O)C1CO1 Amb25854287 [0,1,0,1,0,0|0,0,2]=4 5647 B9R1.137 O[C@H](CC(O)=O)C1CC1 Amb25367343 [0,1,0,1,0,0|1,0,1]=4 5648 B9R1.139 CC1(C)C(Cl)C1C(O)=O Amb25772915 [0,1,0,1,0,0|1,0,1]=4 5649 B9R1.139 CC1(C)[C@@H](Br)[C@H]1C(O)=O Amb24593888 [0,1,0,1,0,0|1,0,1]=4 5650 B9R1.139 CC1(C)[C@H](Cl)[C@@H]1C(O)=O Amb24674137 [0,1,0,1,0,0|1,0,1]=4 5651 B9R1.139 CC1C(C(O)=O)C1(C)C Amb25296484 [0,1,0,1,0,0|1,0,1]=4 5652 B9R1.152 CC(=C)C1(C)CC(=O)N1 Amb25791049 [0,1,0,1,0,0|2,0,0]=4 5653 B9R1.152 CC(=C)[C@@]1(C)CC(=O)N1 Amb24524194 [0,1,0,1,0,0|2,0,0]=4 5654 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [0,1,0,1,0,0|0,0,0]=2 5655 B9R1.152 CC(Cl)C1(C)CC(=O)O1 Amb25701611 [0,1,0,1,0,0|1,0,1]=4 5656 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [0,1,0,1,0,0|0,0,0]=2 5657 B9R1.152 CC1CC(C)(C1)C(O)=O Amb23448860 [0,1,0,1,0,0|1,0,1]=4 5658 B9R1.152 CC1CC(N)(C1)C(O)=O Amb25821754 [0,1,0,1,0,0|1,0,1]=4 5659 B9R1.152 CC1CC(O)(C1)C(O)=O Amb24522784 [0,1,0,1,0,0|1,0,1]=4 5660 B9R1.152 C[C@@]1(C[C@@H](N)C1)C(O)=O Amb23440223 [0,1,0,1,0,0|1,0,1]=4 5661 B9R1.152 C[C@@]1(C[C@@H](N)C1)C(O)=O Amb24730954 [0,1,0,1,0,0|1,0,1]=4 5662 B9R1.152 C[C@@]1(C[C@H](N)C1)C(O)=O Amb23439475 [0,1,0,1,0,0|1,0,1]=4 5663 B9R1.152 C[C@]1(C[C@@H](N)C1)C(O)=O Amb25275111 [0,1,0,1,0,0|1,0,1]=4 5664 B9R1.152 NC1CC(F)(C1)C(O)=O Amb25784332 [0,1,0,1,0,0|1,0,1]=4 5665 B9R1.152 N[C@@]1(C[C@H](F)C1)C(O)=O Amb22746505 [0,1,0,1,0,0|1,0,1]=4 5666 B9R1.152 N[C@]1(C[C@@H](O)C1)C(O)=O Amb25297893 [0,1,0,1,0,0|0,0,2]=4 5667 B9R1.164 CC(=O)C1CC(C)(O)C1 Amb25773446 [0,1,0,1,0,0|1,0,1]=4 5668 B9R1.164 CC(=O)[C@@H]1C[C@@](C)(O)C1 Amb25320013 [0,1,0,1,0,0|1,0,1]=4 5669 B9R1.164 CC(=O)[C@@H]1C[C@](C)(O)C1 Amb25735730 [0,1,0,1,0,0|1,0,1]=4 5670 B9R1.164 CC1(C)CC(N1)C(O)=O Amb24117447 [0,1,0,1,0,0|1,0,1]=4 5671 B9R1.164 CC1(F)CC(C1)C(O)=O Amb23439467 [0,1,0,1,0,0|1,0,1]=4 5672 B9R1.164 CC1(O)CC(C1)C(O)=O Amb19958862 [0,1,0,1,0,0|0,0,2]=4 5673 B9R1.164 C[C@@]1(O)C[C@@H](C1)C(O)=O Amb23440037 [0,1,0,1,0,0|0,0,2]=4 5674 B9R1.164 C[C@@]1(O)C[C@H](C1)C(O)=O Amb23440038 [0,1,0,1,0,0|0,0,2]=4 5675 B9R1.169 CC1(C)CC1(C)C(O)=O Amb25793545 [0,1,0,1,0,0|1,0,1]=4 5676 B9R1.51 OS(=O)(=O)[C@@H]1CC(=O)N1 Amb25090857 [0,1,0,1,0,0|2,0,0]=4 5677 B9R2.19 O=C1CCC2CC1O2 Amb22364973 [0,0,0,2,0,0|1,0,1]=4 5678 B9R2.21 O=C1CC2OC2CC1 Amb24408509 [0,0,0,2,0,0|1,0,1]=4 5679 B9R2.35 O=C1NC2C1CC2=O Amb24516342 [0,0,0,2,0,0|1,0,0]=3 5680 B9R2.150 OC(=O)C1CC2CC21 Amb25049722 [0,0,0,2,0,0|1,0,1]=4 5681 B9R2.150 OC(=O)C1NC2CC12 Amb25376606 [0,0,0,2,0,0|1,0,1]=4 5682 B9R2.145 OC(=O)C12CC(C1)C2 Amb22493631 [0,0,0,2,0,0|1,0,1]=4 5683 B5R0.5 BrC(=C)C(=O)C Amb17593709 [0,0,0,0,2,0|2,0,0]=4 5684 B5R0.5 C=C(Br)C(O)=O Amb20620403 [0,0,0,0,2,0|1,0,1]=4 5685 B5R0.5 C=C(Cl)C(O)=O Amb17933971 [0,0,0,0,2,0|1,0,1]=4 5686 B5R0.5 CC(=C)C(=O)F Amb22230833 [0,0,0,0,2,0|2,0,0]=4 5687 B5R0.5 CC(=C)C(O)=O Amb22230681 [0,0,0,0,2,0|1,0,0]=3 5688 B5R0.5 CC(=C)C(O)=O Amb22337777 [0,0,0,0,2,0|1,0,0]=3 5689 B5R0.5 CC(=C)C(O)=O Amb22351305 [0,0,0,0,2,0|1,0,0]=3 5690 B5R0.5 CC(=C)C(O)=O Amb22351871 [0,0,0,0,2,0|1,0,0]=3 5691 B5R0.5 CC(=C)C(O)=O Amb22351927 [0,0,0,0,2,0|1,0,0]=3 5692 B5R0.5 CC(=C)C([O-])=O Amb17943044 [0,0,0,0,2,0|1,0,1]=4 5693 B5R0.5 CC(=C)C([O-])=O Amb20240542 [0,0,0,0,2,0|1,0,1]=4 5694 B5R0.5 CC(=C)C([O-])=O Amb20240585 [0,0,0,0,2,0|1,0,1]=4 5695 B5R0.5 CC(=C)C([O-])=O Amb22045782 [0,0,0,0,2,0|1,0,1]=4 5696 B5R0.5 CC(=C)C([O-])=O Amb22045789 [0,0,0,0,2,0|1,0,1]=4 5697 B5R0.5 CC(=C)C([O-])=O Amb22229881 [0,0,0,0,2,0|1,0,1]=4 5698 B5R0.5 CC(=C)C([O-])=O Amb22230829 [0,0,0,0,2,0|1,0,1]=4 5699 B5R0.5 CC(=C)C([O-])=O Amb22231309 [0,0,0,0,2,0|1,0,1]=4 5700 B5R0.5 CC(=C)C([O-])=O Amb22730162 [0,0,0,0,2,0|1,0,1]=4 5701 B5R0.5 CC(=C)C([O-])=O Amb22730173 [0,0,0,0,2,0|1,0,1]=4 5702 B5R0.5 CC(=C)C([O-])=O Amb22730220 [0,0,0,0,2,0|1,0,1]=4 5703 B5R0.5 CC(=C)C([O-])=O Amb22730616 [0,0,0,0,2,0|1,0,1]=4 5704 B5R0.5 CC(=C)C([O-])=O Amb22732008 [0,0,0,0,2,0|1,0,1]=4 5705 B5R0.5 CC(=C)C([O-])=O Amb22732130 [0,0,0,0,2,0|1,0,1]=4 5706 B5R0.5 CC(=C)C([O-])=O Amb22732965 [0,0,0,0,2,0|1,0,1]=4 5707 B5R0.5 CC(=C)C([O-])=O Amb22733010 [0,0,0,0,2,0|1,0,1]=4 5708 B5R0.5 CC(=C)C([O-])=O Amb22733228 [0,0,0,0,2,0|1,0,1]=4 5709 B5R0.5 CC(=C)C([O-])=O Amb22733283 [0,0,0,0,2,0|1,0,1]=4 5710 B5R0.5 CC(=C)C([O-])=O Amb22733711 [0,0,0,0,2,0|1,0,1]=4 5711 B5R0.5 CC(=C)C([O-])=O Amb22734514 [0,0,0,0,2,0|1,0,1]=4 5712 B5R0.5 CC(=O)C(=C)C Amb17593021 [0,0,0,0,2,0|2,0,0]=4 5713 B5R0.5 CC(=O)C(=C)S Amb24721662 [0,0,0,0,2,0|1,1,0]=4 5714 B5R0.5 CC(=O)C(=O)[13CH3] Amb10072163 [0,0,0,0,2,0|1,0,0]=3 5715 B5R0.5 CC(=O)C(N)=N Amb24409561 [0,0,0,0,2,0|2,0,0]=4 5716 B5R0.5 CC(=O)C(N)=S Amb24581132 [0,0,0,0,2,0|1,1,0]=4 5717 B5R0.5 CC(=O)C(O)O Amb22436762 [0,0,0,0,2,0|0,0,2]=4 5718 B5R0.5 CC(=O)C([O-])=O Amb22043412 [0,0,0,0,2,0|0,0,1]=3 5719 B5R0.5 CC(=O)C([O-])=O Amb22053857 [0,0,0,0,2,0|0,0,1]=3 5720 B5R0.5 CC(=O)C([O-])=O Amb22167358 [0,0,0,0,2,0|0,0,1]=3 5721 B5R0.5 CC(=O)C([O-])=O Amb22733838 [0,0,0,0,2,0|0,0,1]=3 5722 B5R0.5 CC(=O)N(C)O Amb24066817 [0,0,0,0,2,0|2,0,0]=4 5723 B5R0.5 CC(=O)P(O)=O Amb25368211 [0,0,0,0,2,0|1,0,0]=3 5724 B5R0.5 CC(=O)[13C]([O-])=O Amb22351546 [0,0,0,0,2,0|0,0,1]=3 5725 B5R0.5 CC(Br)[13C](O)=O Amb22351913 [0,0,0,0,2,0|1,0,1]=4 5726 B5R0.5 CC(C(=O)O)F Amb10605770 [0,0,0,0,2,0|1,0,1]=4 5727 B5R0.5 CC(N)[13C](O)=O Amb22336671 [0,0,0,0,2,0|1,0,1]=4 5728 B5R0.5 CC(O)C(O)=O Amb22350027 [0,0,0,0,2,0|0,0,2]=4 5729 B5R0.5 CC([15NH2])C(O)=O Amb22353286 [0,0,0,0,2,0|1,0,1]=4 5730 B5R0.5 CN(C)C(O)=O Amb22348477 [0,0,0,0,2,0|2,0,0]=4 5731 B5R0.5 C[13C@@H]([15NH2])C(O)=O Amb22363357 [0,0,0,0,2,0|1,0,1]=4 5732 B5R0.5 C[13CH](N)C(O)=O Amb22367246 [0,0,0,0,2,0|1,0,1]=4 5733 B5R0.5 C[13C](=O)C([O-])=O Amb22056112 [0,0,0,0,2,0|0,0,1]=3 5734 B5R0.5 C[13C](=O)[13C](=O)C Amb17610135 [0,0,0,0,2,0|1,0,0]=3 5735 B5R0.5 C[C@@H](F)C(O)=O Amb24376099 [0,0,0,0,2,0|1,0,1]=4 5736 B5R0.5 C[C@@H](O)C(C)=O Amb25120774 [0,0,0,0,2,0|1,0,1]=4 5737 B5R0.5 C[C@@H](O)C(O)=O Amb22799466 [0,0,0,0,2,0|0,0,2]=4 5738 B5R0.5 C[C@@H]([15NH2])C(O)=O Amb22800337 [0,0,0,0,2,0|1,0,1]=4 5739 B5R0.5 C[C@H](Cl)C(O)=O Amb17776586 [0,0,0,0,2,0|1,0,1]=4 5740 B5R0.5 C[C@H](I)C(O)=O Amb25724908 [0,0,0,0,2,0|1,0,1]=4 5741 B5R0.5 C[C@H](O)C(C)=O Amb24625154 [0,0,0,0,2,0|1,0,1]=4 5742 B5R0.5 C[C@H](S)C(O)=O Amb25147510 [0,0,0,0,2,0|0,1,1]=4 5743 B5R0.5 C[C@H]([15NH2])C(O)=O Amb22351686 [0,0,0,0,2,0|1,0,1]=4 5744 B5R0.5 ClC(=O)C(=O)C Amb17593107 [0,0,0,0,2,0|1,0,0]=3 5745 B5R0.5 FC(=C)C(=O)C Amb17593032 [0,0,0,0,2,0|2,0,0]=4 5746 B5R0.5 FC(=O)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 5747 B5R0.5 N=C(S)C(O)=O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 5748 B5R0.5 NC(=N)C(=O)O Amb10549353 [0,0,0,0,2,0|2,0,0]=4 5749 B5R0.5 NC(=O)C(=O)C Amb17593028 [0,0,0,0,2,0|1,0,0]=3 5750 B5R0.5 NC(=O)C(=O)Cl Amb24377962 [0,0,0,0,2,0|2,0,0]=4 5751 B5R0.5 NC(=O)C([O-])=O Amb22053860 [0,0,0,0,2,0|1,0,1]=4 5752 B5R0.5 NC(=O)C([O-])=O Amb22351608 [0,0,0,0,2,0|1,0,1]=4 5753 B5R0.5 NC(=O)C([O-])=O Amb22730546 [0,0,0,0,2,0|1,0,1]=4 5754 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|1,1,0]=4 5755 B5R0.5 O=[13C](Cl)[13C](=O)Cl Amb22353781 [0,0,0,0,2,0|2,0,0]=4 5756 B5R0.5 OC(=O)C(=O)O Amb10608980 [0,0,0,0,2,0|1,0,0]=3 5757 B5R0.5 OC(=O)C(=O)O Amb19134307 [0,0,0,0,2,0|1,0,0]=3 5758 B5R0.5 OC(=O)C(=O)S Amb25375340 [0,0,0,0,2,0|1,0,0]=3 5759 B5R0.5 OC(=O)C(O)=O Amb19374136 [0,0,0,0,2,0|1,0,0]=3 5760 B5R0.5 OC(=O)C(O)=O Amb22002537 [0,0,0,0,2,0|1,0,0]=3 5761 B5R0.5 OC(=O)C(O)=O Amb22231343 [0,0,0,0,2,0|1,0,0]=3 5762 B5R0.5 OC(=O)C(O)=O Amb22352057 [0,0,0,0,2,0|1,0,0]=3 5763 B5R0.5 OC(=O)C(O)=O Amb22353291 [0,0,0,0,2,0|1,0,0]=3 5764 B5R0.5 OC(=O)C(O)=O Amb22360650 [0,0,0,0,2,0|1,0,0]=3 5765 B5R0.5 OC(=O)C(O)=O Amb22360667 [0,0,0,0,2,0|1,0,0]=3 5766 B5R0.5 OC(=O)C(O)=O Amb22363275 [0,0,0,0,2,0|1,0,0]=3 5767 B5R0.5 OC(=O)C(O)=O Amb22363302 [0,0,0,0,2,0|1,0,0]=3 5768 B5R0.5 OC(=O)C(O)=O Amb22394874 [0,0,0,0,2,0|1,0,0]=3 5769 B5R0.5 OC(=O)C(O)=O Amb22436461 [0,0,0,0,2,0|1,0,0]=3 5770 B5R0.5 OC(=O)C(O)=O Amb22731645 [0,0,0,0,2,0|1,0,0]=3 5771 B5R0.5 OC(=O)C(O)=O Amb22731888 [0,0,0,0,2,0|1,0,0]=3 5772 B5R0.5 OC(=O)C(O)=O Amb22897045 [0,0,0,0,2,0|1,0,0]=3 5773 B5R0.5 OC(=O)C(O)=O Amb23412252 [0,0,0,0,2,0|1,0,0]=3 5774 B5R0.5 OC(=O)C(S)=S Amb25695615 [0,0,0,0,2,0|1,1,0]=4 5775 B5R0.5 O[13C](=O)[13C](O)=O Amb22369747 [0,0,0,0,2,0|1,0,0]=3 5776 B5R0.5 O[14C](=O)[14C](O)=O Amb22349945 [0,0,0,0,2,0|1,0,0]=3 5777 B5R0.5 [12CH3][12C@H](N)[12C](O)=O Amb22367004 [0,0,0,0,2,0|1,0,1]=4 5778 B5R0.5 [13CH3]C(=O)C([O-])=O Amb22353396 [0,0,0,0,2,0|0,0,1]=3 5779 B5R0.5 [13CH3]C(N)C(O)=O Amb22351250 [0,0,0,0,2,0|1,0,1]=4 5780 B5R0.5 [13CH3][13CH](N)C(O)=O Amb22338584 [0,0,0,0,2,0|1,0,1]=4 5781 B5R0.5 [13CH3][13CH](N)[13C](O)=O Amb22353501 [0,0,0,0,2,0|1,0,1]=4 5782 B5R0.5 [O-]C(=O)C(O)=O Amb20246604 [0,0,0,0,2,0|1,0,0]=3 5783 B5R0.5 [O-]C(=O)C(O)=O Amb22055985 [0,0,0,0,2,0|1,0,0]=3 5784 B5R0.5 [O-]C(=O)C(O)=O Amb22167952 [0,0,0,0,2,0|1,0,0]=3 5785 B5R0.5 [O-]C(=O)C(O)=O Amb22231328 [0,0,0,0,2,0|1,0,0]=3 5786 B5R0.5 [O-]C(=O)C([O-])=O Amb17678768 [0,0,0,0,2,0|1,0,1]=4 5787 B5R0.5 [O-]C(=O)C([O-])=O Amb17943075 [0,0,0,0,2,0|1,0,1]=4 5788 B5R0.5 [O-]C(=O)C([O-])=O Amb17943080 [0,0,0,0,2,0|1,0,1]=4 5789 B5R0.5 [O-]C(=O)C([O-])=O Amb19516140 [0,0,0,0,2,0|1,0,1]=4 5790 B5R0.5 [O-]C(=O)C([O-])=O Amb20246439 [0,0,0,0,2,0|1,0,1]=4 5791 B5R0.5 [O-]C(=O)C([O-])=O Amb20246440 [0,0,0,0,2,0|1,0,1]=4 5792 B5R0.5 [O-]C(=O)C([O-])=O Amb20246449 [0,0,0,0,2,0|1,0,1]=4 5793 B5R0.5 [O-]C(=O)C([O-])=O Amb20246450 [0,0,0,0,2,0|1,0,1]=4 5794 B5R0.5 [O-]C(=O)C([O-])=O Amb20246484 [0,0,0,0,2,0|1,0,1]=4 5795 B5R0.5 [O-]C(=O)C([O-])=O Amb20246489 [0,0,0,0,2,0|1,0,1]=4 5796 B5R0.5 [O-]C(=O)C([O-])=O Amb21963194 [0,0,0,0,2,0|1,0,1]=4 5797 B5R0.5 [O-]C(=O)C([O-])=O Amb22002099 [0,0,0,0,2,0|1,0,1]=4 5798 B5R0.5 [O-]C(=O)C([O-])=O Amb22008847 [0,0,0,0,2,0|1,0,1]=4 5799 B5R0.5 [O-]C(=O)C([O-])=O Amb22008848 [0,0,0,0,2,0|1,0,1]=4 5800 B5R0.5 [O-]C(=O)C([O-])=O Amb22045372 [0,0,0,0,2,0|1,0,1]=4 5801 B5R0.5 [O-]C(=O)C([O-])=O Amb22045383 [0,0,0,0,2,0|1,0,1]=4 5802 B5R0.5 [O-]C(=O)C([O-])=O Amb22045394 [0,0,0,0,2,0|1,0,1]=4 5803 B5R0.5 [O-]C(=O)C([O-])=O Amb22045421 [0,0,0,0,2,0|1,0,1]=4 5804 B5R0.5 [O-]C(=O)C([O-])=O Amb22045450 [0,0,0,0,2,0|1,0,1]=4 5805 B5R0.5 [O-]C(=O)C([O-])=O Amb22045454 [0,0,0,0,2,0|1,0,1]=4 5806 B5R0.5 [O-]C(=O)C([O-])=O Amb22045456 [0,0,0,0,2,0|1,0,1]=4 5807 B5R0.5 [O-]C(=O)C([O-])=O Amb22045460 [0,0,0,0,2,0|1,0,1]=4 5808 B5R0.5 [O-]C(=O)C([O-])=O Amb22045466 [0,0,0,0,2,0|1,0,1]=4 5809 B5R0.5 [O-]C(=O)C([O-])=O Amb22045574 [0,0,0,0,2,0|1,0,1]=4 5810 B5R0.5 [O-]C(=O)C([O-])=O Amb22045860 [0,0,0,0,2,0|1,0,1]=4 5811 B5R0.5 [O-]C(=O)C([O-])=O Amb22045877 [0,0,0,0,2,0|1,0,1]=4 5812 B5R0.5 [O-]C(=O)C([O-])=O Amb22052446 [0,0,0,0,2,0|1,0,1]=4 5813 B5R0.5 [O-]C(=O)C([O-])=O Amb22052448 [0,0,0,0,2,0|1,0,1]=4 5814 B5R0.5 [O-]C(=O)C([O-])=O Amb22052474 [0,0,0,0,2,0|1,0,1]=4 5815 B5R0.5 [O-]C(=O)C([O-])=O Amb22053405 [0,0,0,0,2,0|1,0,1]=4 5816 B5R0.5 [O-]C(=O)C([O-])=O Amb22053543 [0,0,0,0,2,0|1,0,1]=4 5817 B5R0.5 [O-]C(=O)C([O-])=O Amb22053546 [0,0,0,0,2,0|1,0,1]=4 5818 B5R0.5 [O-]C(=O)C([O-])=O Amb22053547 [0,0,0,0,2,0|1,0,1]=4 5819 B5R0.5 [O-]C(=O)C([O-])=O Amb22053562 [0,0,0,0,2,0|1,0,1]=4 5820 B5R0.5 [O-]C(=O)C([O-])=O Amb22053601 [0,0,0,0,2,0|1,0,1]=4 5821 B5R0.5 [O-]C(=O)C([O-])=O Amb22231460 [0,0,0,0,2,0|1,0,1]=4 5822 B5R0.5 [O-]C(=O)C([O-])=O Amb22264699 [0,0,0,0,2,0|1,0,1]=4 5823 B5R0.5 [O-]C(=O)C([O-])=O Amb22338348 [0,0,0,0,2,0|1,0,1]=4 5824 B5R0.5 [O-]C(=O)C([O-])=O Amb22338401 [0,0,0,0,2,0|1,0,1]=4 5825 B5R0.5 [O-]C(=O)C([O-])=O Amb22338445 [0,0,0,0,2,0|1,0,1]=4 5826 B5R0.5 [O-]C(=O)C([O-])=O Amb22363119 [0,0,0,0,2,0|1,0,1]=4 5827 B5R0.5 [O-]C(=O)C([O-])=O Amb22432231 [0,0,0,0,2,0|1,0,1]=4 5828 B5R0.5 [O-]C(=O)C([O-])=O Amb22730020 [0,0,0,0,2,0|1,0,1]=4 5829 B5R0.5 [O-]C(=O)C([O-])=O Amb22730044 [0,0,0,0,2,0|1,0,1]=4 5830 B5R0.5 [O-]C(=O)C([O-])=O Amb22732203 [0,0,0,0,2,0|1,0,1]=4 5831 B5R0.5 [O-]C(=O)C([O-])=O Amb22732260 [0,0,0,0,2,0|1,0,1]=4 5832 B5R0.5 [O-]C(=O)C([O-])=O Amb22732351 [0,0,0,0,2,0|1,0,1]=4 5833 B5R0.5 [O-]C(=O)C([O-])=O Amb22732671 [0,0,0,0,2,0|1,0,1]=4 5834 B5R0.5 [O-]C(=O)C([O-])=O Amb22732891 [0,0,0,0,2,0|1,0,1]=4 5835 B5R0.5 [O-]C(=O)C([O-])=O Amb22733764 [0,0,0,0,2,0|1,0,1]=4 5836 B5R0.5 [O-]C(=O)C([O-])=O Amb22734003 [0,0,0,0,2,0|1,0,1]=4 5837 B5R0.5 [O-][13C](=O)[13C]([O-])=O Amb22337921 [0,0,0,0,2,0|1,0,1]=4 5838 B9R0.55 CC(=C)CCCCC(N)=O Amb24695037 [0,0,0,0,0,2|2,0,0]=4 5839 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [0,0,0,0,0,2|1,0,0]=3 5840 B9R0.55 CC(=C)CCONC(N)=O Amb25291915 [0,0,0,0,0,2|2,0,0]=4 5841 B9R0.55 CC(=C)CNCCC(N)=O Amb24442603 [0,0,0,0,0,2|2,0,0]=4 5842 B9R0.55 CC(=C)CN\C=C\C(O)=O Amb25804662 [0,0,0,0,0,2|1,0,1]=4 5843 B9R0.55 CC(=C)CO\C=C\C(O)=O Amb18643826 [0,0,0,0,0,2|1,0,1]=4 5844 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,0,2|1,0,0]=3 5845 B9R0.55 CC(=N)NCCCC(N)=O Amb25729267 [0,0,0,0,0,2|2,0,0]=4 5846 B9R0.55 CC(=N)NCCNC(N)=O Amb24425058 [0,0,0,0,0,2|2,0,0]=4 5847 B9R0.55 CC(=O)CCC#CC(C)=C Amb25728115 [0,0,0,0,0,2|2,0,0]=4 5848 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [0,0,0,0,0,2|1,0,0]=3 5849 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [0,0,0,0,0,2|1,0,0]=3 5850 B9R0.55 CC(=O)CCCCC(C)=C Amb24553457 [0,0,0,0,0,2|2,0,0]=4 5851 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [0,0,0,0,0,2|1,0,0]=3 5852 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [0,0,0,0,0,2|1,0,0]=3 5853 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [0,0,0,0,0,2|1,0,0]=3 5854 B9R0.55 CC(=O)CCCOC(=O)Cl Amb25146796 [0,0,0,0,0,2|1,0,0]=3 5855 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [0,0,0,0,0,2|1,0,0]=3 5856 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [0,0,0,0,0,2|1,0,0]=3 5857 B9R0.55 CC(=O)CCOCC(C)=C Amb25146699 [0,0,0,0,0,2|2,0,0]=4 5858 B9R0.55 CC(=O)CCSCC(C)=C Amb24340243 [0,0,0,0,0,2|2,0,0]=4 5859 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [0,0,0,0,0,2|1,0,0]=3 5860 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [0,0,0,0,0,2|0,0,0]=2 5861 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|0,0,0]=2 5862 B9R0.55 CC(=O)CSCCC(=S)N Amb17503258 [0,0,0,0,0,2|1,1,0]=4 5863 B9R0.55 CC(=O)CSCCC(C)=O Amb24361719 [0,0,0,0,0,2|1,0,0]=3 5864 B9R0.55 CC(=O)CSSCC(C)=O Amb24509319 [0,0,0,0,0,2|1,0,0]=3 5865 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,0,2|1,0,0]=3 5866 B9R0.55 CC(=O)NCC#CC(O)=O Amb24481196 [0,0,0,0,0,2|0,0,1]=3 5867 B9R0.55 CC(=O)NCCCC(=C)Cl Amb24477328 [0,0,0,0,0,2|2,0,0]=4 5868 B9R0.55 CC(=O)NCCCC(N)=S Amb18182547 [0,0,0,0,0,2|1,1,0]=4 5869 B9R0.55 CC(=O)NCCNC(=O)C Amb2522644 [0,0,0,0,0,2|1,0,0]=3 5870 B9R0.55 CC(=O)NCCNC(C)=N Amb25778539 [0,0,0,0,0,2|2,0,0]=4 5871 B9R0.55 CC(=O)NCCNC(N)=N Amb24454284 [0,0,0,0,0,2|2,0,0]=4 5872 B9R0.55 CC(=O)NCCOC([S-])=S Amb25288364 [0,0,0,0,0,2|0,2,0]=4 5873 B9R0.55 CC(=O)NCCSC([S-])=S Amb22264562 [0,0,0,0,0,2|0,2,0]=4 5874 B9R0.55 CC(=O)N\C=C\CC(N)=O Amb24584165 [0,0,0,0,0,2|1,0,1]=4 5875 B9R0.55 CC(=O)OCCC=C(F)F Amb21954269 [0,0,0,0,0,2|2,0,0]=4 5876 B9R0.55 CC(=O)OCCCC(=C)F Amb22641472 [0,0,0,0,0,2|2,0,0]=4 5877 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [0,0,0,0,0,2|1,0,0]=3 5878 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [0,0,0,0,0,2|1,0,0]=3 5879 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [0,0,0,0,0,2|0,0,0]=2 5880 B9R0.55 CC(=O)OCCCS(C)=O Amb24387513 [0,0,0,0,0,2|2,0,0]=4 5881 B9R0.55 CC(=O)OCCSC(N)=N Amb24390832 [0,0,0,0,0,2|2,0,0]=4 5882 B9R0.55 CC(=O)OC\C=C\C(C)=O Amb25205418 [0,0,0,0,0,2|1,0,1]=4 5883 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,0,2|0,0,1]=3 5884 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,0,2|0,0,1]=3 5885 B9R0.55 CC(=O)O\N=C/CC(O)=O Amb24392947 [0,0,0,0,0,2|0,0,1]=3 5886 B9R0.55 CC(=O)\C=C\C=C/C(O)=O Amb18643490 [0,0,0,0,0,2|0,0,2]=4 5887 B9R0.55 CC(=O)\C=C\C=C\C(O)=O Amb24395663 [0,0,0,0,0,2|0,0,2]=4 5888 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [0,0,0,0,0,2|1,0,0]=3 5889 B9R0.55 CC(Br)CCCCC(O)=O Amb25309392 [0,0,0,0,0,2|1,0,1]=4 5890 B9R0.55 CC(C)=C=CCCC(O)=O Amb25758070 [0,0,0,0,0,2|1,0,0]=3 5891 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [0,0,0,0,0,2|1,0,0]=3 5892 B9R0.55 CC(C)=CCOCC(O)=O Amb18644115 [0,0,0,0,0,2|1,0,0]=3 5893 B9R0.55 CC(C)=COCCC(C)=O Amb25718461 [0,0,0,0,0,2|2,0,0]=4 5894 B9R0.55 CC(C)CONCC(O)=O Amb24740299 [0,0,0,0,0,2|1,0,1]=4 5895 B9R0.55 CC(C)C\C=C\CC(O)=O Amb24681011 [0,0,0,0,0,2|1,0,1]=4 5896 B9R0.55 CC(C)ONCCC(O)=O Amb24619964 [0,0,0,0,0,2|1,0,1]=4 5897 B9R0.55 CC(C)\C=C\CCC(O)=O Amb25082805 [0,0,0,0,0,2|1,0,1]=4 5898 B9R0.55 CC(CCCCC(=O)O)C Amb10576144 [0,0,0,0,0,2|1,0,1]=4 5899 B9R0.55 CC(CCNCC(=O)O)C Amb1111021 [0,0,0,0,0,2|1,0,1]=4 5900 B9R0.55 CC(CCSCC(=O)O)C Amb1137397 [0,0,0,0,0,2|1,0,1]=4 5901 B9R0.55 CC(CC\C=C\C(=O)O)C Amb17593603 [0,0,0,0,0,2|1,0,1]=4 5902 B9R0.55 CC(CNCCC(=O)O)C Amb10609230 [0,0,0,0,0,2|1,0,1]=4 5903 B9R0.55 CC(CNCCC(=O)O)C Amb2372367 [0,0,0,0,0,2|1,0,1]=4 5904 B9R0.55 CC(Cl)=CCSCC(O)=O Amb25295452 [0,0,0,0,0,2|1,0,0]=3 5905 B9R0.55 CC(Cl)CCCCC(O)=O Amb18646185 [0,0,0,0,0,2|1,0,1]=4 5906 B9R0.55 CC(F)COCCC(O)=O Amb25268355 [0,0,0,0,0,2|1,0,1]=4 5907 B9R0.55 CC(N)CCCCC(O)=O Amb18644199 [0,0,0,0,0,2|1,0,1]=4 5908 B9R0.55 CC(N)CCCCC(O)=O Amb19515386 [0,0,0,0,0,2|1,0,1]=4 5909 B9R0.55 CC(N)CSCCC(O)=O Amb24435179 [0,0,0,0,0,2|1,0,1]=4 5910 B9R0.55 CC(NCCCC(=O)O)C Amb1111231 [0,0,0,0,0,2|1,0,1]=4 5911 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [0,0,0,0,0,2|0,0,2]=4 5912 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [0,0,0,0,0,2|0,0,2]=4 5913 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,0,2|0,0,2]=4 5914 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [0,0,0,0,0,2|0,0,2]=4 5915 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [0,0,0,0,0,2|0,0,2]=4 5916 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,0,2|0,0,2]=4 5917 B9R0.55 CN(C)CCCCC(O)=O Amb19275569 [0,0,0,0,0,2|2,0,0]=4 5918 B9R0.55 CN(C)CCOCC(O)=O Amb20667765 [0,0,0,0,0,2|2,0,0]=4 5919 B9R0.55 CN(C)CCOCC(O)=O Amb22059502 [0,0,0,0,0,2|2,0,0]=4 5920 B9R0.55 CN(CCSCC(=O)O)C Amb1138164 [0,0,0,0,0,2|2,0,0]=4 5921 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [0,0,0,0,0,2|1,0,0]=3 5922 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [0,0,0,0,0,2|1,0,0]=3 5923 B9R0.55 CS(=O)CCCNC(N)=O Amb25139044 [0,0,0,0,0,2|2,0,0]=4 5924 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [0,0,0,0,0,2|1,0,0]=3 5925 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [0,0,0,0,0,2|1,0,0]=3 5926 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [0,0,0,0,0,2|1,0,0]=3 5927 B9R0.55 C[C@@H](O)CCCCC(C)=O Amb25114746 [0,0,0,0,0,2|1,0,1]=4 5928 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [0,0,0,0,0,2|0,0,2]=4 5929 B9R0.55 C[C@H](N)CCCCC(O)=O Amb25229790 [0,0,0,0,0,2|1,0,1]=4 5930 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [0,0,0,0,0,2|0,0,2]=4 5931 B9R0.55 C[C@H](O)\C=C\CCC(C)=O Amb24722887 [0,0,0,0,0,2|1,0,1]=4 5932 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [0,0,0,0,0,2|2,0,0]=4 5933 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [0,0,0,0,0,2|2,0,0]=4 5934 B9R0.55 NC(=N)NOCCC(O)=O Amb24409809 [0,0,0,0,0,2|2,0,0]=4 5935 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [0,0,0,0,0,2|2,0,0]=4 5936 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [0,0,0,0,0,2|2,0,0]=4 5937 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [0,0,0,0,0,2|1,0,0]=3 5938 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,0,2|2,0,0]=4 5939 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,0,2|1,0,1]=4 5940 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [0,0,0,0,0,2|2,0,0]=4 5941 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,0,2|2,0,0]=4 5942 B9R0.55 NC(=O)NCCNC(=O)N Amb1146040 [0,0,0,0,0,2|2,0,0]=4 5943 B9R0.55 NC(=O)OCCNC(N)=O Amb25775544 [0,0,0,0,0,2|2,0,0]=4 5944 B9R0.55 NC(=O)OCCOC(=O)Cl Amb24692809 [0,0,0,0,0,2|2,0,0]=4 5945 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,0,2|1,0,1]=4 5946 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,0,2|1,0,0]=3 5947 B9R0.55 O=C(Cl)NCCNC(=O)Cl Amb25835035 [0,0,0,0,0,2|2,0,0]=4 5948 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,2|2,0,0]=4 5949 B9R0.55 O=C(S)NCCNC(=O)S Amb24476958 [0,0,0,0,0,2|1,1,0]=4 5950 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,0,2|1,0,1]=4 5951 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,0,2|1,0,0]=3 5952 B9R0.55 OC(=O)CCCC=C(Cl)Cl Amb24441631 [0,0,0,0,0,2|2,0,0]=4 5953 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,0,2|1,0,0]=3 5954 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,0,2|1,0,0]=3 5955 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,0,2|1,0,0]=3 5956 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,0,2|1,0,0]=3 5957 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,0,2|1,0,0]=3 5958 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,0,2|1,0,0]=3 5959 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,0,2|1,0,0]=3 5960 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,0,2|1,0,0]=3 5961 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,0,2|1,0,0]=3 5962 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,0,2|1,0,0]=3 5963 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [0,0,0,0,0,2|1,0,0]=3 5964 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [0,0,0,0,0,2|1,1,0]=4 5965 B9R0.55 OC(=O)CCCSC(C)C Amb17503621 [0,0,0,0,0,2|1,0,1]=4 5966 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,0,2|1,0,0]=3 5967 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,0,2|1,0,0]=3 5968 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [0,0,0,0,0,2|2,0,0]=4 5969 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,0,2|1,0,0]=3 5970 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,0,2|1,0,0]=3 5971 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,0,2|1,0,0]=3 5972 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [0,0,0,0,0,2|1,1,0]=4 5973 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,0,2|1,0,0]=3 5974 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,0,2|1,0,1]=4 5975 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,0,2|1,0,0]=3 5976 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [0,0,0,0,0,2|1,0,0]=3 5977 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [0,0,0,0,0,2|1,0,1]=4 5978 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [0,0,0,0,0,2|1,0,1]=4 5979 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [0,0,0,0,0,2|1,0,1]=4 5980 B9R0.55 [O-]C(=O)CSSCC([O-])=O Amb24323547 [0,0,0,0,0,2|1,0,1]=4 5981 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [0,0,0,0,0,2|2,0,0]=4