0 B6R0.4 BC(=O)OCCCl Amb25199831 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C#CCCB(O)O Amb25328251 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCCC(N)=O Amb18636026 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C#CCCC([O-])=O Amb22232009 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.4 C=C(Br)CCC=O Amb18645745 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 C=C(Br)CNC=O Amb25169576 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 C=C(Cl)CCC=O Amb24525208 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 C=C(Cl)CCCBr Amb25811643 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 C=C(Cl)CCCCl Amb24635037 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C=C(Cl)CNC=O Amb24376668 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 C=C(Cl)CNC=S Amb25844391 [0,0,0,0,0,0|3,1,0]=4 12 B6R0.4 C=C(Cl)\C=C\C=O Amb18641916 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 C=C(F)CCCO Amb25811029 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 C=C(I)CCCN Amb24581029 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.4 C=C(N)NNC=O Amb20223981 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 C=CC#CC(O)=O Amb24479724 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.4 C=CCCB(O)O Amb10067042 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 C=CCCC(Cl)Cl Amb25803414 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 C=CCCC(N)=N Amb25326954 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 C=CCCS([O-])=O Amb25680826 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 C=CCC[N+]([O-])=O Amb22490976 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 C=CCC[SiH](Cl)Cl Amb22230222 [0,0,0,0,0,0|3,1,0]=4 23 B6R0.4 C=CCNC(N)=N Amb25043202 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.4 C=CCNC(S)=S Amb24381849 [0,0,0,0,0,0|2,2,0]=4 25 B6R0.4 C=CCOC(N)=N Amb24639721 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.4 C=CCOC(N)=S Amb24480391 [0,0,0,0,0,0|3,1,0]=4 27 B6R0.4 C=CCSC(=O)Cl Amb22231425 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.4 C=CCSC(N)=S Amb25315804 [0,0,0,0,0,0|3,1,0]=4 29 B6R0.4 C=COCC(N)=O Amb25075789 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.4 C=C\C=C\C(N)=O Amb25222345 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 C=NCCC(O)=O Amb24480865 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.4 CC#CCC(N)=O Amb24761404 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 CC#CCC(O)=O Amb17939740 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.4 CC(=C)CCC#C Amb18634222 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.4 CC(=C)CCC=C Amb22228883 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.4 CC(=C)CCC=O Amb18120891 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.4 CC(=C)CCCBr Amb22886717 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.4 CC(=C)CCCCl Amb24089299 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CC(=C)CCCN Amb24761452 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.4 CC(=C)CCCO Amb22886814 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 CC(=C)CCNN Amb25745941 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.4 CC(=C)CNC=O Amb24448470 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CC(=C)CNC=S Amb25789831 [0,0,0,0,0,0|3,1,0]=4 44 B6R0.4 CC(=C)C\C=C/Cl Amb24332781 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.4 CC(=C)C\C=C\Cl Amb24519433 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CC(=C)NCC=C Amb24721856 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.4 CC(=C)\C=C/C=O Amb25785232 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.4 CC(=C)\C=C\C=O Amb18120435 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.4 CC(=N)NCC=C Amb24618156 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.4 CC(=O)C=C=CBr Amb25772659 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.4 CC(=O)CC=C=C Amb25746318 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.4 CC(=O)CC=NO Amb25024487 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.4 CC(=O)CCC=O Amb18639597 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.4 CC(=O)CCC=S Amb25662155 [0,0,0,0,0,0|1,1,0]=2 55 B6R0.4 CC(=O)CCCF Amb25068187 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.4 CC(=O)CCCI Amb25346994 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.4 CC(=O)CCCN Amb18121547 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.4 CC(=O)CCON Amb25186994 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.4 CC(=O)CNC=O Amb23442787 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.4 CC(=O)COC=O Amb24736861 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.4 CC(=O)CSC=C Amb24479150 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 CC(=O)C\C=C/Cl Amb25276014 [0,0,0,0,0,0|2,0,1]=3 64 B6R0.4 CC(=O)C\C=C\Cl Amb25094325 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.4 CC(=O)C\C=N/O Amb25066399 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.4 CC(=O)NCC#C Amb20623038 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.4 CC(=O)NCC=O Amb25757509 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.4 CC(=O)NCCF Amb25832238 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.4 CC(=O)NCCI Amb25761166 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CC(=O)NCCN Amb1218225 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.4 CC(=O)NCCS Amb22230992 [0,0,0,0,0,0|2,1,1]=4 72 B6R0.4 CC(=O)NNC=O Amb25663184 [0,0,0,0,0,0|3,0,0]=3 73 B6R0.4 CC(=O)OCCF Amb25123333 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.4 CC(=O)OCCI Amb17673987 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.4 CC(=O)OCCN Amb18121947 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.4 CC(=O)OCCP Amb25810695 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.4 CC(=O)ON=CCl Amb24677824 [0,0,0,0,0,0|4,0,0]=4 78 B6R0.4 CC(=O)ON=CN Amb25732130 [0,0,0,0,0,0|4,0,0]=4 79 B6R0.4 CC(=O)O\C=C/Cl Amb25190035 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.4 CC(=O)O\N=C/Cl Amb24373196 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.4 CC(=O)SCC=C Amb24531624 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.4 CC(=O)SCCBr Amb24608039 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.4 CC(=O)SCCCl Amb24746776 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.4 CC(=O)SCCN Amb21953963 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.4 CC(=O)SCCN Amb22011516 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.4 CC(=O)\C=C\C=N Amb24722970 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.4 CC(=O)\C=C\C=O Amb18120765 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.4 CC(=S)NCC=C Amb25083646 [0,0,0,0,0,0|3,1,0]=4 89 B6R0.4 CC(=S)OCC=C Amb22230177 [0,0,0,0,0,0|3,1,0]=4 90 B6R0.4 CC(Br)CCC=C Amb20669632 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.4 CC(Br)CCC=O Amb18645866 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.4 CC(Br)COC=O Amb24634016 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.4 CC(C)=C=CC=O Amb25082892 [0,0,0,0,0,0|2,0,2]=4 94 B6R0.4 CC(C)=CCC=C Amb22230004 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.4 CC(C)=CCC=O Amb18120881 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.4 CC(C)CCC=O Amb17673735 [0,0,0,0,0,0|2,0,1]=3 97 B6R0.4 CC(C)OCC=O Amb25820659 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.4 CC(C)SCC=O Amb24479811 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.4 CC(Cl)CCC=C Amb24355384 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.4 CC(Cl)CCC=O Amb18124284 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.4 CC(I)CCC=O Amb24333933 [0,0,0,0,0,0|2,0,1]=3 102 B6R0.4 CC(N)CCC=C Amb18121283 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.4 CC(N)CCC=O Amb24443883 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.4 CC(O)CCC=C Amb22059013 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.4 CC(O)CCCCl Amb22270232 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.4 CC(O)CCCF Amb24385806 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.4 CC(O)CCCO Amb22227752 [0,0,0,0,0,0|1,0,3]=4 108 B6R0.4 CC(O)CCCS Amb25219256 [0,0,0,0,0,0|1,1,2]=4 109 B6R0.4 CC(O)CCNN Amb24447142 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 CC(O)CNC=O Amb20622242 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.4 CC(O)CON=O Amb24480649 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.4 CC(O)CO[PH2]=O Amb24332262 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.4 CC(O)C\C=C/Br Amb25810811 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.4 CC(O)C\C=C\Cl Amb24479438 [0,0,0,0,0,0|2,0,2]=4 115 B6R0.4 CC(O)OCC=C Amb24397961 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.4 CC(O)\C=C\C=O Amb18639615 [0,0,0,0,0,0|1,0,3]=4 117 B6R0.4 CC(S)CNC=O Amb24388784 [0,0,0,0,0,0|2,1,1]=4 118 B6R0.4 CC=C=CC(=O)O Amb17593065 [0,0,0,0,0,0|1,0,2]=3 119 B6R0.4 CC=NCC(C)O Amb25213778 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.4 CC=NNC(N)=O Amb24351023 [0,0,0,0,0,0|4,0,0]=4 121 B6R0.4 CCCCB(O)O Amb2447142 [0,0,0,0,0,0|2,0,2]=4 122 B6R0.4 CCCCC(=C)Br Amb22583744 [0,0,0,0,0,0|3,0,1]=4 123 B6R0.4 CCCCC(=N)N Amb10066937 [0,0,0,0,0,0|3,0,1]=4 124 B6R0.4 CCCCC(=O)Br Amb22730323 [0,0,0,0,0,0|2,0,1]=3 125 B6R0.4 CCCCC(N)O Amb24479887 [0,0,0,0,0,0|2,0,2]=4 126 B6R0.4 CCCCC(O)=S Amb24682342 [0,0,0,0,0,0|1,1,1]=3 127 B6R0.4 CCCCC(O)O Amb24687253 [0,0,0,0,0,0|1,0,3]=4 128 B6R0.4 CCCCC(O)S Amb24480485 [0,0,0,0,0,0|1,1,2]=4 129 B6R0.4 CCCCC([O-])=O Amb19879370 [0,0,0,0,0,0|1,0,2]=3 130 B6R0.4 CCCCC([O-])=O Amb22056343 [0,0,0,0,0,0|1,0,2]=3 131 B6R0.4 CCCCC([O-])=O Amb22729192 [0,0,0,0,0,0|1,0,2]=3 132 B6R0.4 CCCCC([O-])=O Amb22731639 [0,0,0,0,0,0|1,0,2]=3 133 B6R0.4 CCCCS(=O)Cl Amb24551332 [0,0,0,0,0,0|3,0,1]=4 134 B6R0.4 CCCCS([O-])=O Amb19889352 [0,0,0,0,0,0|2,0,2]=4 135 B6R0.4 CCCC[13C](O)=O Amb22367454 [0,0,0,0,0,0|1,0,1]=2 136 B6R0.4 CCCC[C@@H](C)O Amb19929139 [0,0,0,0,0,0|2,0,2]=4 137 B6R0.4 CCCC[Sn](=O)S Amb22730994 [0,0,0,0,0,0|2,1,1]=4 138 B6R0.4 CCCC[Sn](O)=O Amb22336393 [0,0,0,0,0,0|2,0,1]=3 139 B6R0.4 CCCNC(=O)Cl Amb25688616 [0,0,0,0,0,0|3,0,1]=4 140 B6R0.4 CCCNC(=O)N Amb1152241 [0,0,0,0,0,0|3,0,1]=4 141 B6R0.4 CCCNC(O)=S Amb25302945 [0,0,0,0,0,0|2,1,1]=4 142 B6R0.4 CCCOC(=O)Cl Amb10604123 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.4 CCCOP(O)=O Amb25366595 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.4 CCCSC(C)=O Amb22043301 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.4 CCNCC(=O)N Amb1128676 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.4 CCNCC(=O)O Amb10609667 [0,0,0,0,0,0|2,0,1]=3 147 B6R0.4 CCNCC(C)=O Amb24545893 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.4 CCSCC(=O)O Amb1125185 [0,0,0,0,0,0|2,0,1]=3 149 B6R0.4 CCSCC(N)=O Amb24420234 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.4 CC\C=C/C(O)=O Amb22230421 [0,0,0,0,0,0|1,0,3]=4 151 B6R0.4 CN(C)CCC=O Amb22001057 [0,0,0,0,0,0|3,0,0]=3 152 B6R0.4 CN=CCC(C)=O Amb25261368 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.4 CNCCC(=O)O Amb10609760 [0,0,0,0,0,0|2,0,0]=2 154 B6R0.4 CNCCC(=S)N Amb17231833 [0,0,0,0,0,0|3,1,0]=4 155 B6R0.4 CNCCC(C)=C Amb18993045 [0,0,0,0,0,0|4,0,0]=4 156 B6R0.4 CNCCC(C)=O Amb24560306 [0,0,0,0,0,0|3,0,0]=3 157 B6R0.4 CNCCC(N)=O Amb19959913 [0,0,0,0,0,0|3,0,0]=3 158 B6R0.4 CNCCC(O)C Amb17569889 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.4 CNCCS(C)=O Amb21984676 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.4 CNNCC(N)=O Amb25773971 [0,0,0,0,0,0|4,0,0]=4 161 B6R0.4 CNNCC(O)=O Amb21929288 [0,0,0,0,0,0|3,0,0]=3 162 B6R0.4 CNOCC(O)=O Amb25104714 [0,0,0,0,0,0|3,0,0]=3 163 B6R0.4 COCCC(C)O Amb20621489 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 COCCC(N)O Amb25727188 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.4 COCCC(O)Br Amb20242943 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.4 COCCN(=O)=O Amb24126452 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.4 COCNC(C)=O Amb24659843 [0,0,0,0,0,0|4,0,0]=4 168 B6R0.4 COCNC(N)=O Amb25744350 [0,0,0,0,0,0|4,0,0]=4 169 B6R0.4 CON=CC(O)=O Amb25292253 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.4 CO\C=C\C(O)=O Amb18121767 [0,0,0,0,0,0|2,0,2]=4 171 B6R0.4 CO\N=C\C(=O)O Amb10976081 [0,0,0,0,0,0|3,0,1]=4 172 B6R0.4 CS(=O)CCC#N Amb18641926 [0,0,0,0,0,0|3,0,1]=4 173 B6R0.4 CS(=O)CCCBr Amb24365916 [0,0,0,0,0,0|3,0,1]=4 174 B6R0.4 CS(=O)CCCN Amb18974527 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.4 CS(=O)CCNN Amb25810588 [0,0,0,0,0,0|4,0,0]=4 176 B6R0.4 CS(=O)CCON Amb25368924 [0,0,0,0,0,0|4,0,0]=4 177 B6R0.4 CS(=O)NCC=C Amb24603076 [0,0,0,0,0,0|4,0,0]=4 178 B6R0.4 CSCCC(=S)N Amb17307559 [0,0,0,0,0,0|3,1,0]=4 179 B6R0.4 CSCCC(N)=N Amb19373501 [0,0,0,0,0,0|4,0,0]=4 180 B6R0.4 CSCCC(N)=N Amb19516878 [0,0,0,0,0,0|4,0,0]=4 181 B6R0.4 CSCCC(N)=O Amb24479809 [0,0,0,0,0,0|3,0,0]=3 182 B6R0.4 CSCCN(=O)=O Amb24179458 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.4 CSCNC(C)=O Amb24561383 [0,0,0,0,0,0|4,0,0]=4 184 B6R0.4 CSCNC(N)=O Amb24612362 [0,0,0,0,0,0|4,0,0]=4 185 B6R0.4 CSCOC(C)=O Amb19884027 [0,0,0,0,0,0|4,0,0]=4 186 B6R0.4 CSSCC(N)=O Amb24480454 [0,0,0,0,0,0|4,0,0]=4 187 B6R0.4 CSSCC(O)=O Amb25378801 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.4 CS\C=C\C(O)=O Amb18641964 [0,0,0,0,0,0|2,0,2]=4 189 B6R0.4 C[C@@H](Cl)CCC=C Amb25074076 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.4 C[C@@H](N)CCC=C Amb24670260 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.4 C[C@@H](O)CCC#N Amb24644182 [0,0,0,0,0,0|2,0,2]=4 192 B6R0.4 C[C@@H](O)CCC=C Amb19929324 [0,0,0,0,0,0|2,0,1]=3 193 B6R0.4 C[C@@H](O)CCCCl Amb22801499 [0,0,0,0,0,0|2,0,2]=4 194 B6R0.4 C[C@@H](O)CCCN Amb24479875 [0,0,0,0,0,0|2,0,2]=4 195 B6R0.4 C[C@@H](O)CCCS Amb25794939 [0,0,0,0,0,0|1,1,2]=4 196 B6R0.4 C[C@@H](O)CNC=O Amb25259151 [0,0,0,0,0,0|2,0,1]=3 197 B6R0.4 C[C@@H](O)C\C=C\Br Amb25783863 [0,0,0,0,0,0|2,0,2]=4 198 B6R0.4 C[C@@H](O)C\C=C\Cl Amb25321937 [0,0,0,0,0,0|2,0,2]=4 199 B6R0.4 C[C@@H](O)\C=C\C=O Amb24404886 [0,0,0,0,0,0|1,0,3]=4 200 B6R0.4 C[C@H](N)CCC=C Amb24332049 [0,0,0,0,0,0|3,0,1]=4 201 B6R0.4 C[C@H](O)CCC=C Amb22226511 [0,0,0,0,0,0|2,0,1]=3 202 B6R0.4 C[C@H](O)CCCCl Amb22348392 [0,0,0,0,0,0|2,0,2]=4 203 B6R0.4 C[C@H](O)CNC=O Amb25131739 [0,0,0,0,0,0|2,0,1]=3 204 B6R0.4 C[C@H](O)COC=O Amb25662147 [0,0,0,0,0,0|2,0,1]=3 205 B6R0.4 C[C@H](O)C\C=C/Cl Amb25320946 [0,0,0,0,0,0|2,0,2]=4 206 B6R0.4 C[C@H](O)\C=C\C=O Amb25704114 [0,0,0,0,0,0|1,0,3]=4 207 B6R0.4 C[Si](=O)CCCN Amb22351702 [0,0,0,0,0,0|2,1,1]=4 208 B6R0.4 C\C(\Br)=C/CC=O Amb25811514 [0,0,0,0,0,0|2,0,1]=3 209 B6R0.4 C\C=C/CC(C)=O Amb25723218 [0,0,0,0,0,0|2,0,1]=3 210 B6R0.4 C\C=C/CC(O)=O Amb25692581 [0,0,0,0,0,0|1,0,1]=2 211 B6R0.4 C\C=C\CC(C)=O Amb24359011 [0,0,0,0,0,0|2,0,1]=3 212 B6R0.4 C\C=C\CC(C)O Amb24480541 [0,0,0,0,0,0|2,0,2]=4 213 B6R0.4 C\C=C\CC(N)=N Amb25176208 [0,0,0,0,0,0|3,0,1]=4 214 B6R0.4 C\C=C\CC(N)=S Amb24401512 [0,0,0,0,0,0|2,1,1]=4 215 B6R0.4 C\C=C\CC(O)O Amb25803009 [0,0,0,0,0,0|1,0,3]=4 216 B6R0.4 C\C=C\NC(N)=O Amb25340023 [0,0,0,0,0,0|3,0,1]=4 217 B6R0.4 C\C=N\CC(O)=O Amb24618330 [0,0,0,0,0,0|2,0,0]=2 218 B6R0.4 ClC(=O)OCC#C Amb13777322 [0,0,0,0,0,0|3,0,1]=4 219 B6R0.4 ClCCCC(=O)N Amb1138237 [0,0,0,0,0,0|2,0,1]=3 220 B6R0.4 FCCCC(=O)O Amb17593104 [0,0,0,0,0,0|1,0,1]=2 221 B6R0.4 N#CCCB(O)O Amb25781253 [0,0,0,0,0,0|2,0,2]=4 222 B6R0.4 N#CCCC(=O)C Amb17334046 [0,0,0,0,0,0|2,0,1]=3 223 B6R0.4 N#CCCC(=O)Cl Amb25106570 [0,0,0,0,0,0|2,0,1]=3 224 B6R0.4 N#CCCC(=S)Cl Amb16232250 [0,0,0,0,0,0|2,1,1]=4 225 B6R0.4 N#CCNC(=O)S Amb25025696 [0,0,0,0,0,0|2,1,1]=4 226 B6R0.4 N#CCOC(=O)Cl Amb25079539 [0,0,0,0,0,0|3,0,1]=4 227 B6R0.4 N#CNCC(O)=O Amb25173813 [0,0,0,0,0,0|2,0,1]=3 228 B6R0.4 N#CSCC(O)=O Amb24480976 [0,0,0,0,0,0|2,0,1]=3 229 B6R0.4 N#C\C=C\C(O)=O Amb25853809 [0,0,0,0,0,0|1,0,3]=4 230 B6R0.4 N=CNCC(O)=O Amb24670244 [0,0,0,0,0,0|2,0,0]=2 231 B6R0.4 NC(=N)N=CC=O Amb25252156 [0,0,0,0,0,0|3,0,1]=4 232 B6R0.4 NC(=N)NNC=O Amb20000948 [0,0,0,0,0,0|4,0,0]=4 233 B6R0.4 NC(=N)SCC=C Amb17835909 [0,0,0,0,0,0|4,0,0]=4 234 B6R0.4 NC(=O)CC=NO Amb24605273 [0,0,0,0,0,0|2,0,2]=4 235 B6R0.4 NC(=O)CCCBr Amb25779163 [0,0,0,0,0,0|2,0,1]=3 236 B6R0.4 NC(=O)CCCO Amb20623438 [0,0,0,0,0,0|1,0,2]=3 237 B6R0.4 NC(=O)CNC#N Amb25348370 [0,0,0,0,0,0|3,0,1]=4 238 B6R0.4 NC(=O)CNC=O Amb25770889 [0,0,0,0,0,0|2,0,0]=2 239 B6R0.4 NC(=O)CSC#N Amb24378114 [0,0,0,0,0,0|3,0,1]=4 240 B6R0.4 NC(=O)CSCCl Amb25135617 [0,0,0,0,0,0|3,0,1]=4 241 B6R0.4 NC(=O)NCC#N Amb20622301 [0,0,0,0,0,0|3,0,1]=4 242 B6R0.4 NC(=O)NCCO Amb1146041 [0,0,0,0,0,0|2,0,2]=4 243 B6R0.4 NC(=O)NCN=O Amb22490284 [0,0,0,0,0,0|3,0,0]=3 244 B6R0.4 NC(=O)OCC#N Amb24682691 [0,0,0,0,0,0|3,0,1]=4 245 B6R0.4 NC(=O)OCC=O Amb24446581 [0,0,0,0,0,0|2,0,0]=2 246 B6R0.4 NC(=O)OCCBr Amb25145573 [0,0,0,0,0,0|3,0,1]=4 247 B6R0.4 NC(=O)OCCO Amb20623788 [0,0,0,0,0,0|2,0,2]=4 248 B6R0.4 NC(=O)SCC#N Amb24479908 [0,0,0,0,0,0|3,0,1]=4 249 B6R0.4 NC(=O)\C=C\C=O Amb24480849 [0,0,0,0,0,0|1,0,2]=3 250 B6R0.4 NC(=S)CCC#N Amb24507608 [0,0,0,0,0,0|2,1,1]=4 251 B6R0.4 NC(=S)CCC=N Amb24681956 [0,0,0,0,0,0|2,1,0]=3 252 B6R0.4 NC(=S)CCCF Amb24667655 [0,0,0,0,0,0|2,1,1]=4 253 B6R0.4 NC(=S)CNC=O Amb24479904 [0,0,0,0,0,0|2,1,0]=3 254 B6R0.4 NC(=S)SCC=O Amb24713465 [0,0,0,0,0,0|2,1,0]=3 255 B6R0.4 NCC#CC(O)=O Amb25703096 [0,0,0,0,0,0|1,0,3]=4 256 B6R0.4 NCCCC(=O)Cl Amb1935063 [0,0,0,0,0,0|2,0,1]=3 257 B6R0.4 NCCCC(=O)N Amb2099583 [0,0,0,0,0,0|2,0,1]=3 258 B6R0.4 NCCCC(=O)O Amb1935210 [0,0,0,0,0,0|1,0,1]=2 259 B6R0.4 NCCCC(Cl)=O Amb17801145 [0,0,0,0,0,0|2,0,1]=3 260 B6R0.4 NCCCC(N)=S Amb24479598 [0,0,0,0,0,0|2,1,1]=4 261 B6R0.4 NCCCC(N)O Amb25063002 [0,0,0,0,0,0|2,0,2]=4 262 B6R0.4 NCCCP(O)=O Amb22370049 [0,0,0,0,0,0|2,0,1]=3 263 B6R0.4 NCCCS(=O)=O Amb24427014 [0,0,0,0,0,0|2,0,2]=4 264 B6R0.4 NCCCS(O)=O Amb25185942 [0,0,0,0,0,0|2,0,1]=3 265 B6R0.4 NCCC[N+]([O-])=O Amb18833132 [0,0,0,0,0,0|2,0,2]=4 266 B6R0.4 NCCNC(N)=O Amb19374121 [0,0,0,0,0,0|3,0,1]=4 267 B6R0.4 NCCOC(N)=O Amb22059480 [0,0,0,0,0,0|3,0,1]=4 268 B6R0.4 NCCOC(N)=O Amb24271076 [0,0,0,0,0,0|3,0,1]=4 269 B6R0.4 NCCOS(O)=O Amb25843211 [0,0,0,0,0,0|3,0,1]=4 270 B6R0.4 NC\C=C/C(O)=O Amb24117018 [0,0,0,0,0,0|1,0,3]=4 271 B6R0.4 NC\C=C\C(O)=O Amb18639655 [0,0,0,0,0,0|1,0,3]=4 272 B6R0.4 NC\C=C\C(O)=O Amb24325004 [0,0,0,0,0,0|1,0,3]=4 273 B6R0.4 NNCCC(N)=O Amb24406769 [0,0,0,0,0,0|3,0,0]=3 274 B6R0.4 NN\C=C\C(O)=O Amb25849332 [0,0,0,0,0,0|2,0,2]=4 275 B6R0.4 NOCCC(=O)O Amb17569891 [0,0,0,0,0,0|2,0,0]=2 276 B6R0.4 O=C(Br)CCCBr Amb25724818 [0,0,0,0,0,0|2,0,1]=3 277 B6R0.4 O=C(Br)CCCCl Amb25146320 [0,0,0,0,0,0|2,0,1]=3 278 B6R0.4 O=C(Cl)C\C=C\Cl Amb24531407 [0,0,0,0,0,0|2,0,1]=3 279 B6R0.4 O=C(Cl)NCCCl Amb24479815 [0,0,0,0,0,0|3,0,1]=4 280 B6R0.4 O=C(Cl)OCCF Amb21618836 [0,0,0,0,0,0|3,0,1]=4 281 B6R0.4 O=C(Cl)SCCCl Amb25272444 [0,0,0,0,0,0|3,0,1]=4 282 B6R0.4 O=C(S)CCCCl Amb24683280 [0,0,0,0,0,0|1,1,1]=3 283 B6R0.4 O=CCCC(Cl)Cl Amb25241164 [0,0,0,0,0,0|2,0,1]=3 284 B6R0.4 O=CCCC(F)F Amb25848573 [0,0,0,0,0,0|2,0,1]=3 285 B6R0.4 O=CCCC(O)C Amb17593090 [0,0,0,0,0,0|1,0,1]=2 286 B6R0.4 O=CCOC(=O)C Amb10070247 [0,0,0,0,0,0|2,0,0]=2 287 B6R0.4 O=CNCC(=O)O Amb1911508 [0,0,0,0,0,0|1,0,0]=1 288 B6R0.4 O=CNCC(Cl)Cl Amb25760256 [0,0,0,0,0,0|3,0,1]=4 289 B6R0.4 O=CNN=C(C)C Amb2419224 [0,0,0,0,0,0|4,0,0]=4 290 B6R0.4 O=CNNC(=N)N Amb10559704 [0,0,0,0,0,0|4,0,0]=4 291 B6R0.4 O=CNNC(=N)N Amb10560413 [0,0,0,0,0,0|4,0,0]=4 292 B6R0.4 O=CNNC(=S)N Amb1790065 [0,0,0,0,0,0|3,1,0]=4 293 B6R0.4 O=COCC(Cl)Cl Amb25778565 [0,0,0,0,0,0|3,0,1]=4 294 B6R0.4 O=COCC(F)F Amb22008000 [0,0,0,0,0,0|3,0,1]=4 295 B6R0.4 O=S(Cl)CCCCl Amb25791632 [0,0,0,0,0,0|3,0,1]=4 296 B6R0.4 OB(O)CCCBr Amb24480413 [0,0,0,0,0,0|2,0,2]=4 297 B6R0.4 OB(O)\C=C\C=O Amb22899676 [0,0,0,0,0,0|1,0,3]=4 298 B6R0.4 OC(=O)CCC=O Amb17673897 [0,0,0,0,0,0|0,0,0]=0 299 B6R0.4 OC(=O)CCCI Amb22295911 [0,0,0,0,0,0|1,0,1]=2 300 B6R0.4 OC(=O)CCCP Amb24717184 [0,0,0,0,0,0|1,0,1]=2 301 B6R0.4 OC(=O)CCNCl Amb24437846 [0,0,0,0,0,0|2,0,0]=2 302 B6R0.4 OC(=O)CN=C=S Amb25024397 [0,0,0,0,0,0|1,1,1]=3 303 B6R0.4 OC(=O)CSN=O Amb24368923 [0,0,0,0,0,0|2,0,0]=2 304 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [0,0,0,0,0,0|1,0,1]=2 305 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [0,0,0,0,0,0|1,0,1]=2 306 B6R0.4 OC(=O)C\C=C\I Amb24507704 [0,0,0,0,0,0|1,0,1]=2 307 B6R0.4 OC(=O)\C=C/OI Amb24418427 [0,0,0,0,0,0|2,0,2]=4 308 B6R0.4 OC(=O)\C=C\CBr Amb18646194 [0,0,0,0,0,0|1,0,3]=4 309 B6R0.4 OC(=O)\C=C\CCl Amb23399655 [0,0,0,0,0,0|1,0,3]=4 310 B6R0.4 OC(=O)\C=C\CF Amb24117236 [0,0,0,0,0,0|1,0,3]=4 311 B6R0.4 OC(=O)\C=C\CI Amb25350297 [0,0,0,0,0,0|1,0,3]=4 312 B6R0.4 OC(=O)\C=C\CS Amb18285239 [0,0,0,0,0,0|0,1,3]=4 313 B6R0.4 OC(=O)\C=C\I=O Amb25075597 [0,0,0,0,0,0|1,0,2]=3 314 B6R0.4 OC(=O)\C=C\OI Amb24655000 [0,0,0,0,0,0|2,0,2]=4 315 B6R0.4 OCC#CC(O)=O Amb22002375 [0,0,0,0,0,0|0,0,4]=4 316 B6R0.4 OCCCC(=O)O Amb17615189 [0,0,0,0,0,0|0,0,2]=2 317 B6R0.4 OCCCC(O)=O Amb18640332 [0,0,0,0,0,0|0,0,2]=2 318 B6R0.4 OCCCC(O)O Amb22802459 [0,0,0,0,0,0|0,0,4]=4 319 B6R0.4 OCCNS(O)=O Amb25283153 [0,0,0,0,0,0|2,0,2]=4 320 B6R0.4 OCCOC(=O)S Amb25106059 [0,0,0,0,0,0|1,1,2]=4 321 B6R0.4 OCCOP(O)=O Amb25739645 [0,0,0,0,0,0|2,0,2]=4 322 B6R0.4 OCCOS(O)=O Amb17942859 [0,0,0,0,0,0|2,0,2]=4 323 B6R0.4 ON=NCC(O)=O Amb25204101 [0,0,0,0,0,0|2,0,1]=3 324 B6R0.4 ON\C=C\C(O)=O Amb25058383 [0,0,0,0,0,0|1,0,3]=4 325 B6R0.4 OP(=O)OCCCl Amb24479734 [0,0,0,0,0,0|3,0,1]=4 326 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [0,0,0,0,0,0|0,0,2]=2 327 B6R0.4 SCCCC(=O)O Amb16185429 [0,0,0,0,0,0|0,1,1]=2 328 B6R0.4 [C-]#[N+]CCC(N)=O Amb24411954 [0,0,0,0,0,0|3,0,0]=3 329 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [0,0,0,0,0,0|3,0,0]=3 330 B6R0.4 [O-]C(=O)OCCBr Amb24394548 [0,0,0,0,0,0|2,0,2]=4 331 B6R0.4 [O-][N+](=O)CCC=O Amb24052990 [0,0,0,0,0,0|1,0,1]=2 332 B6R0.4 [O-][N+](=O)CCCCl Amb25267487 [0,0,0,0,0,0|2,0,2]=4 333 B6R0.4 [O-][N+](=O)CCCF Amb25234942 [0,0,0,0,0,0|2,0,2]=4 334 B6R0.4 [O-][N+](=O)CCCO Amb20247690 [0,0,0,0,0,0|1,0,3]=4 335 B5R0.1 BC(=O)NCC Amb22343194 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.1 C/C=C/C(C)=O Amb17940030 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.1 C=C(Br)CCBr Amb25827098 [1,0,0,0,0,0|3,0,0]=4 338 B5R0.1 C=C(Br)CCN Amb23512022 [1,0,0,0,0,0|3,0,0]=4 339 B5R0.1 C=C(Cl)CCCl Amb24636781 [1,0,0,0,0,0|3,0,0]=4 340 B5R0.1 C=C(F)CCO Amb25747437 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.1 C=C(I)CCCl Amb24349789 [1,0,0,0,0,0|3,0,0]=4 342 B5R0.1 C=C(I)CCN Amb24756665 [1,0,0,0,0,0|3,0,0]=4 343 B5R0.1 C=C=CC(O)=O Amb24391957 [1,0,0,0,0,0|0,0,2]=3 344 B5R0.1 C=CCB(O)O Amb20240823 [1,0,0,0,0,0|1,0,2]=4 345 B5R0.1 C=CCC(O)O Amb25144470 [1,0,0,0,0,0|0,0,3]=4 346 B5R0.1 C=CCS([O-])=O Amb25810896 [1,0,0,0,0,0|1,0,2]=4 347 B5R0.1 C=CC[N+]([O-])=O Amb24625461 [1,0,0,0,0,0|1,0,2]=4 348 B5R0.1 C=CNC(N)=O Amb25082241 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.1 C=NNC(N)=O Amb24567354 [1,0,0,0,0,0|3,0,0]=4 350 B5R0.1 CC(=C)CC=C Amb22347764 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.1 CC(=C)CCBr Amb21857866 [1,0,0,0,0,0|3,0,0]=4 352 B5R0.1 CC(=C)CCN Amb17673481 [1,0,0,0,0,0|3,0,0]=4 353 B5R0.1 CC(=C)NC=O Amb25065862 [1,0,0,0,0,0|3,0,0]=4 354 B5R0.1 CC(=O)C=C=C Amb23447108 [1,0,0,0,0,0|1,0,2]=4 355 B5R0.1 CC(=O)CC#C Amb17673302 [1,0,0,0,0,0|1,0,2]=4 356 B5R0.1 CC(=O)CC#N Amb1102132 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.1 CC(=O)CC#N Amb22274239 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.1 CC(=O)CC=O Amb17666764 [1,0,0,0,0,0|1,0,0]=2 359 B5R0.1 CC(=O)CCBr Amb24078246 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.1 CC(=O)CCN Amb10067110 [1,0,0,0,0,0|2,0,0]=3 361 B5R0.1 CC(=O)CCN Amb18632933 [1,0,0,0,0,0|2,0,0]=3 362 B5R0.1 CC(=O)CN=O Amb24645582 [1,0,0,0,0,0|2,0,0]=3 363 B5R0.1 CC(=O)CON Amb25128844 [1,0,0,0,0,0|3,0,0]=4 364 B5R0.1 CC(=O)CSCl Amb24631131 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 CC(=O)NC=C Amb24323579 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.1 CC(=O)NC=S Amb24390998 [1,0,0,0,0,0|2,1,0]=4 367 B5R0.1 CC(=O)NCCl Amb25790034 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 CC(=O)NCS Amb25124326 [1,0,0,0,0,0|2,1,0]=4 369 B5R0.1 CC(=O)OC=C Amb21618930 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.1 CC(=O)OC=C Amb22338143 [1,0,0,0,0,0|2,0,1]=4 371 B5R0.1 CC(=O)OC=C Amb22338476 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.1 CC(=O)OC=C Amb22366845 [1,0,0,0,0,0|2,0,1]=4 373 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.1 CC(=O)OCCl Amb17673336 [1,0,0,0,0,0|3,0,0]=4 375 B5R0.1 CC(=O)OCI Amb25226851 [1,0,0,0,0,0|3,0,0]=4 376 B5R0.1 CC(=O)OCN Amb24359000 [1,0,0,0,0,0|3,0,0]=4 377 B5R0.1 CC(=O)O[13CH]=[13CH2] Amb22351356 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.1 CC(=O)SCBr Amb25349900 [1,0,0,0,0,0|3,0,0]=4 379 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 CC(=O)\C=C\Br Amb25803449 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 CC(=O)\C=C\I Amb25269482 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.1 CC(Br)CC=O Amb25074611 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 CC(C)C[13CH]=O Amb22353955 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 CC(Cl)CC=O Amb18640602 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.1 CC(N)CC=O Amb25292247 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 CC(O)CCCl Amb24551052 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.1 CC(O)CCO Amb22227721 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.1 CC(O)CCO Amb22232248 [1,0,0,0,0,0|1,0,2]=4 390 B5R0.1 CC(O)CCS Amb22359316 [1,0,0,0,0,0|1,1,1]=4 391 B5R0.1 CC(O)CN=O Amb25746175 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 CC(S)CC=O Amb18122380 [1,0,0,0,0,0|1,1,1]=4 393 B5R0.1 CC=CC(C)=O Amb24061083 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.1 CCCB(O)O Amb2447105 [1,0,0,0,0,0|1,0,2]=4 395 B5R0.1 CCCC(=C)Br Amb22583743 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 CCCC(=N)N Amb10610381 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 CCCC(=O)Br Amb22734023 [1,0,0,0,0,0|1,0,1]=3 398 B5R0.1 CCCC(=S)Cl Amb24626931 [1,0,0,0,0,0|1,1,1]=4 399 B5R0.1 CCCC(N)O Amb25147414 [1,0,0,0,0,0|1,0,2]=4 400 B5R0.1 CCCC(O)=S Amb22229383 [1,0,0,0,0,0|0,1,1]=3 401 B5R0.1 CCCC(O)Br Amb25106743 [1,0,0,0,0,0|1,0,2]=4 402 B5R0.1 CCCC(O)Cl Amb22552567 [1,0,0,0,0,0|1,0,2]=4 403 B5R0.1 CCCC([O-])=O Amb17772223 [1,0,0,0,0,0|0,0,2]=3 404 B5R0.1 CCCC([O-])=O Amb22732283 [1,0,0,0,0,0|0,0,2]=3 405 B5R0.1 CCCC([O-])=O Amb22732651 [1,0,0,0,0,0|0,0,2]=3 406 B5R0.1 CCCN(C)O Amb25024622 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.1 CCCS(=O)Cl Amb25025566 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.1 CCCS(N)=O Amb24733579 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.1 CCCS(O)=O Amb24615072 [1,0,0,0,0,0|1,0,1]=3 410 B5R0.1 CCCS([O-])=O Amb19929119 [1,0,0,0,0,0|1,0,2]=4 411 B5R0.1 CCC[13C](O)=O Amb22337992 [1,0,0,0,0,0|0,0,1]=2 412 B5R0.1 CCC[13C](O)=O Amb22338339 [1,0,0,0,0,0|0,0,1]=2 413 B5R0.1 CCNC(=O)Br Amb24563760 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.1 CCNC(=O)Cl Amb25791793 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.1 CCNC(O)=S Amb24612743 [1,0,0,0,0,0|1,1,1]=4 416 B5R0.1 CCOC([13CH3])=O Amb22363103 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.1 CCOP(O)=O Amb22360741 [1,0,0,0,0,0|2,0,1]=4 418 B5R0.1 CCO[13C](C)=O Amb22363160 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.1 CCO[13C]([13CH3])=O Amb22351310 [1,0,0,0,0,0|2,0,1]=4 420 B5R0.1 CCO[14C](N)=O Amb22732757 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.1 CCSC(N)=O Amb24394612 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.1 CC[13CH2]C(O)=O Amb22367520 [1,0,0,0,0,0|0,0,1]=2 423 B5R0.1 CC[13CH2]C([O-])=O Amb22351787 [1,0,0,0,0,0|0,0,2]=3 424 B5R0.1 CC[13CH2][13C](O)=O Amb22351790 [1,0,0,0,0,0|0,0,1]=2 425 B5R0.1 CN(C)CC=O Amb22002191 [1,0,0,0,0,0|3,0,0]=4 426 B5R0.1 CN(C)CC=O Amb22491245 [1,0,0,0,0,0|3,0,0]=4 427 B5R0.1 CN(C)CC=O Amb22491584 [1,0,0,0,0,0|3,0,0]=4 428 B5R0.1 CN(C)CC=O Amb22756473 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.1 CN(C)CC=O Amb23440511 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.1 CN(O)CCO Amb25234570 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.1 CNCC(=O)C Amb17621974 [1,0,0,0,0,0|2,0,1]=4 432 B5R0.1 CNCC(=O)N Amb10610205 [1,0,0,0,0,0|2,0,1]=4 433 B5R0.1 CNCC(C)=O Amb21959975 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.1 CNCC([O-])=O Amb20246714 [1,0,0,0,0,0|1,0,2]=4 435 B5R0.1 CNCP(O)=O Amb24478116 [1,0,0,0,0,0|2,0,1]=4 436 B5R0.1 COCC(=O)Br Amb25282928 [1,0,0,0,0,0|2,0,1]=4 437 B5R0.1 COCC(=O)N Amb1153776 [1,0,0,0,0,0|2,0,1]=4 438 B5R0.1 CS(=O)CC=O Amb25173706 [1,0,0,0,0,0|2,0,0]=3 439 B5R0.1 CS(=O)CCCl Amb24116979 [1,0,0,0,0,0|3,0,0]=4 440 B5R0.1 CS(=O)CCN Amb19889121 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.1 CS(=O)CCN Amb20248083 [1,0,0,0,0,0|3,0,0]=4 442 B5R0.1 CSCC(=O)Cl Amb24528357 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.1 CSCC(=O)O Amb1152425 [1,0,0,0,0,0|1,0,1]=3 444 B5R0.1 CSCC(C)=O Amb20621731 [1,0,0,0,0,0|2,0,1]=4 445 B5R0.1 CSCC(N)=O Amb19515874 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.1 C[13CH2]CC([O-])=O Amb22367521 [1,0,0,0,0,0|0,0,2]=3 447 B5R0.1 C[C@@H](O)CC=C Amb22225370 [1,0,0,0,0,0|1,0,2]=4 448 B5R0.1 C[C@@H](O)CC=O Amb24356009 [1,0,0,0,0,0|1,0,1]=3 449 B5R0.1 C[C@@H](O)CCCl Amb24565032 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.1 C[C@@H](O)CCN Amb22736702 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.1 C[C@H](O)CC=C Amb22226758 [1,0,0,0,0,0|1,0,2]=4 452 B5R0.1 C[C@H](O)CCI Amb24675161 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.1 C[C@H](O)CCN Amb22736705 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.1 C\C(\Br)=C\C=O Amb18124620 [1,0,0,0,0,0|2,0,1]=4 455 B5R0.1 C\C(\Cl)=C/C=O Amb18640408 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.1 C\C(\I)=C/C=O Amb25095164 [1,0,0,0,0,0|2,0,1]=4 457 B5R0.1 C\C(\I)=C\C=O Amb24424054 [1,0,0,0,0,0|2,0,1]=4 458 B5R0.1 C\C=C\C(=O)Br Amb25026006 [1,0,0,0,0,0|2,0,1]=4 459 B5R0.1 C\C=C\C([O-])=O Amb22231404 [1,0,0,0,0,0|1,0,2]=4 460 B5R0.1 ClC(=O)CC#N Amb17593096 [1,0,0,0,0,0|2,0,1]=4 461 B5R0.1 N#CCC(O)=O Amb20247050 [1,0,0,0,0,0|1,0,1]=3 462 B5R0.1 N#CCS(O)=O Amb25232047 [1,0,0,0,0,0|2,0,1]=4 463 B5R0.1 N#C[13CH2][13C]([O-])=O Amb22054790 [1,0,0,0,0,0|1,0,2]=4 464 B5R0.1 NC(=N)CC=C Amb10066887 [1,0,0,0,0,0|2,0,1]=4 465 B5R0.1 NC(=N)CCCl Amb25839424 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.1 NC(=N)CCS Amb25126101 [1,0,0,0,0,0|2,1,0]=4 467 B5R0.1 NC(=O)CC=C Amb17610156 [1,0,0,0,0,0|1,0,1]=3 468 B5R0.1 NC(=O)CC=O Amb25777522 [1,0,0,0,0,0|1,0,0]=2 469 B5R0.1 NC(=O)CCBr Amb21618712 [1,0,0,0,0,0|2,0,0]=3 470 B5R0.1 NC(=O)CCCl Amb1127569 [1,0,0,0,0,0|2,0,0]=3 471 B5R0.1 NC(=O)CNO Amb25199017 [1,0,0,0,0,0|2,0,1]=4 472 B5R0.1 NC(=O)NCCl Amb25130799 [1,0,0,0,0,0|3,0,0]=4 473 B5R0.1 NC(=O)NCO Amb17674341 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.1 NC(=O)OC=C Amb17621270 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.1 NC(=O)OCCl Amb24681219 [1,0,0,0,0,0|3,0,0]=4 476 B5R0.1 NC(=O)OCI Amb25146422 [1,0,0,0,0,0|3,0,0]=4 477 B5R0.1 NC(=O)OCO Amb25662384 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.1 NC(=O)\C=C/Br Amb25715916 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.1 NC(=O)\C=C\Cl Amb10552376 [1,0,0,0,0,0|2,0,1]=4 480 B5R0.1 NC(=S)CCS Amb17503271 [1,0,0,0,0,0|1,2,0]=4 481 B5R0.1 NC(=S)CN=C Amb1982355 [1,0,0,0,0,0|2,1,0]=4 482 B5R0.1 NCCC(=O)Cl Amb24117140 [1,0,0,0,0,0|2,0,0]=3 483 B5R0.1 NCCC(=O)N Amb1137251 [1,0,0,0,0,0|2,0,0]=3 484 B5R0.1 NCCC(=O)O Amb1935127 [1,0,0,0,0,0|1,0,0]=2 485 B5R0.1 NCCC(N)=S Amb18523221 [1,0,0,0,0,0|2,1,0]=4 486 B5R0.1 NCCC(N)O Amb24657290 [1,0,0,0,0,0|2,0,1]=4 487 B5R0.1 NCCP(O)=O Amb22168066 [1,0,0,0,0,0|2,0,0]=3 488 B5R0.1 NCCS(=O)=O Amb25744074 [1,0,0,0,0,0|2,0,1]=4 489 B5R0.1 NCC[N+]([O-])=O Amb18203119 [1,0,0,0,0,0|2,0,1]=4 490 B5R0.1 NCOP(O)=O Amb24333271 [1,0,0,0,0,0|3,0,0]=4 491 B5R0.1 NOCC(=O)O Amb1154237 [1,0,0,0,0,0|2,0,0]=3 492 B5R0.1 NOCC(N)=O Amb22059481 [1,0,0,0,0,0|3,0,0]=4 493 B5R0.1 NS(=O)CCCl Amb24407159 [1,0,0,0,0,0|3,0,0]=4 494 B5R0.1 N[C@H](O)CCO Amb24421109 [1,0,0,0,0,0|1,0,2]=4 495 B5R0.1 N\C=C/C(N)=O Amb22489591 [1,0,0,0,0,0|2,0,1]=4 496 B5R0.1 N\N=C\C(O)=O Amb25703365 [1,0,0,0,0,0|2,0,1]=4 497 B5R0.1 O=C(Br)CCBr Amb24624022 [1,0,0,0,0,0|2,0,0]=3 498 B5R0.1 O=C(Br)CCCl Amb24474527 [1,0,0,0,0,0|2,0,0]=3 499 B5R0.1 O=C(Cl)\C=C/Br Amb24391538 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 O=C(Cl)\C=C\Br Amb24512115 [1,0,0,0,0,0|2,0,1]=4 501 B5R0.1 O=C(Cl)\C=C\Cl Amb25025493 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.1 O=C(F)NCF Amb24478456 [1,0,0,0,0,0|3,0,0]=4 503 B5R0.1 O=C(I)CCCl Amb25146462 [1,0,0,0,0,0|2,0,0]=3 504 B5R0.1 O=C=CC(=O)C Amb10603952 [1,0,0,0,0,0|1,0,2]=4 505 B5R0.1 O=C=NC(=O)C Amb17231800 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.1 O=C=NC(=O)Cl Amb22348016 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.1 O=CC=C(Br)Br Amb25146355 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.1 O=CC=C(Cl)Cl Amb24691205 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.1 O=CCC(Br)Br Amb25026607 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.1 O=CNC([S-])=S Amb24710140 [1,0,0,0,0,0|1,2,0]=4 511 B5R0.1 O=S(Cl)CCBr Amb24563387 [1,0,0,0,0,0|3,0,0]=4 512 B5R0.1 OC(=O)C#CBr Amb17593707 [1,0,0,0,0,0|1,0,2]=4 513 B5R0.1 OC(=O)C#CCl Amb17593098 [1,0,0,0,0,0|1,0,2]=4 514 B5R0.1 OC(=O)C#CI Amb25274128 [1,0,0,0,0,0|1,0,2]=4 515 B5R0.1 OC(=O)C=C=O Amb24671304 [1,0,0,0,0,0|0,0,2]=3 516 B5R0.1 OC(=O)CC=O Amb22169407 [1,0,0,0,0,0|0,0,0]=1 517 B5R0.1 OC(=O)CCF Amb10603694 [1,0,0,0,0,0|1,0,0]=2 518 B5R0.1 OC(=O)CI=O Amb25146428 [1,0,0,0,0,0|1,0,0]=2 519 B5R0.1 OC(=O)CNBr Amb25053433 [1,0,0,0,0,0|2,0,0]=3 520 B5R0.1 OC(=O)CNCl Amb24653229 [1,0,0,0,0,0|2,0,0]=3 521 B5R0.1 OC(=O)CNI Amb25216175 [1,0,0,0,0,0|2,0,0]=3 522 B5R0.1 OC(=O)CSCl Amb24597301 [1,0,0,0,0,0|2,0,0]=3 523 B5R0.1 OC(=O)C[Hg]Cl Amb22347659 [1,0,0,0,0,0|2,0,0]=3 524 B5R0.1 OC(=O)\C=C/Br Amb18644453 [1,0,0,0,0,0|1,0,1]=3 525 B5R0.1 OC(=O)\C=C\F Amb24417763 [1,0,0,0,0,0|1,0,1]=3 526 B5R0.1 OC(=O)\C=C\I Amb20242758 [1,0,0,0,0,0|1,0,1]=3 527 B5R0.1 OC(O)CC=S Amb24478084 [1,0,0,0,0,0|0,1,2]=4 528 B5R0.1 OC(O)CCS Amb25746150 [1,0,0,0,0,0|0,1,2]=4 529 B5R0.1 OCCS(=O)=O Amb24474283 [1,0,0,0,0,0|1,0,2]=4 530 B5R0.1 OCOP(O)=O Amb24333194 [1,0,0,0,0,0|2,0,1]=4 531 B5R0.1 OCOS(O)=O Amb25106091 [1,0,0,0,0,0|2,0,1]=4 532 B5R0.1 ON=CC(O)=O Amb25046587 [1,0,0,0,0,0|1,0,2]=4 533 B5R0.1 ONCC(O)=O Amb24120360 [1,0,0,0,0,0|1,0,1]=3 534 B5R0.1 OP(=O)CC=O Amb25706451 [1,0,0,0,0,0|1,0,0]=2 535 B5R0.1 OP(=O)CCBr Amb24634095 [1,0,0,0,0,0|2,0,0]=3 536 B5R0.1 OP(=O)CCCl Amb24465178 [1,0,0,0,0,0|2,0,0]=3 537 B5R0.1 O\N=C/C(=O)O Amb10601571 [1,0,0,0,0,0|1,0,2]=4 538 B5R0.1 O\N=C\C(O)=O Amb20671938 [1,0,0,0,0,0|1,0,2]=4 539 B5R0.1 [13CH3]CCC([O-])=O Amb22351845 [1,0,0,0,0,0|0,0,2]=3 540 B5R0.1 [13CH3]C[13CH2]C([O-])=O Amb22351704 [1,0,0,0,0,0|0,0,2]=3 541 B5R0.1 [13CH3][13CH2][13CH2][13C]([O-])=O Amb22353296 [1,0,0,0,0,0|0,0,2]=3 542 B5R0.1 [15NH2]C[13CH2][13C](O)=O Amb22353834 [1,0,0,0,0,0|1,0,0]=2 543 B5R0.1 [15NH2][13CH2][13CH2][13C](O)=O Amb22353457 [1,0,0,0,0,0|1,0,0]=2 544 B5R0.1 [2H]C(=O)OCC Amb22336312 [1,0,0,0,0,0|2,0,1]=4 545 B5R0.1 [N-]=[N+]=CC(O)=O Amb24333367 [1,0,0,0,0,0|2,0,1]=4 546 B5R0.1 [O-]C(=O)CCBr Amb22229633 [1,0,0,0,0,0|1,0,1]=3 547 B5R0.1 [O-]C(=O)CCCl Amb10604124 [1,0,0,0,0,0|1,0,1]=3 548 B5R0.1 [O-]C(=O)CCCl Amb22051669 [1,0,0,0,0,0|1,0,1]=3 549 B5R0.1 [O-]C(=O)CCO Amb22055495 [1,0,0,0,0,0|0,0,2]=3 550 B5R0.1 [O-]S(=O)CCBr Amb24442971 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.1 [O-][N+](=O)CCF Amb17674352 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.1 [O-]\C=C\C(=O)C Amb15772268 [1,0,0,0,0,0|1,0,2]=4 553 B5R0.1 [O-]\C=C\C(=O)C Amb2228039 [1,0,0,0,0,0|1,0,2]=4 554 B5R0.2 C=CCCC#C Amb18117518 [1,0,0,0,0,0|2,0,1]=4 555 B5R0.2 C=CCCC#N Amb10605750 [1,0,0,0,0,0|2,0,1]=4 556 B5R0.2 C=CCCCCl Amb22229585 [1,0,0,0,0,0|2,0,1]=4 557 B5R0.2 C=CCCCF Amb25689705 [1,0,0,0,0,0|2,0,1]=4 558 B5R0.2 C=CCCCI Amb25278794 [1,0,0,0,0,0|2,0,1]=4 559 B5R0.2 C=CCCCN Amb18299670 [1,0,0,0,0,0|2,0,1]=4 560 B5R0.2 C=CCCCN Amb22001451 [1,0,0,0,0,0|2,0,1]=4 561 B5R0.2 C=CCCNN Amb25747040 [1,0,0,0,0,0|3,0,0]=4 562 B5R0.2 C=CCCON Amb22233632 [1,0,0,0,0,0|3,0,0]=4 563 B5R0.2 C=CCCON Amb22896384 [1,0,0,0,0,0|3,0,0]=4 564 B5R0.2 C=CCC[Mg]Br Amb22338020 [1,0,0,0,0,0|3,0,0]=4 565 B5R0.2 C=CCC[Zn]Br Amb22000510 [1,0,0,0,0,0|3,0,0]=4 566 B5R0.2 C=CCNC=S Amb25127468 [1,0,0,0,0,0|2,1,0]=4 567 B5R0.2 C=CCOC=O Amb22051694 [1,0,0,0,0,0|2,0,0]=3 568 B5R0.2 C=CCOCO Amb25115933 [1,0,0,0,0,0|2,0,1]=4 569 B5R0.2 C=CC\C=C\I Amb24634661 [1,0,0,0,0,0|2,0,1]=4 570 B5R0.2 C=CNCCO Amb24380906 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.2 C=COCC=C Amb17933943 [1,0,0,0,0,0|3,0,0]=4 572 B5R0.2 C=C\C=C/C=O Amb25248524 [1,0,0,0,0,0|1,0,2]=4 573 B5R0.2 CCCCC=C Amb22338530 [1,0,0,0,0,0|2,0,1]=4 574 B5R0.2 CCCCNO Amb24686451 [1,0,0,0,0,0|2,0,1]=4 575 B5R0.2 CCSCC=O Amb17940620 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.2 CNCCC=C Amb18993048 [1,0,0,0,0,0|3,0,0]=4 577 B5R0.2 COCCC=O Amb10602324 [1,0,0,0,0,0|2,0,0]=3 578 B5R0.2 COCCNO Amb25284480 [1,0,0,0,0,0|3,0,0]=4 579 B5R0.2 CSCCC=C Amb24431590 [1,0,0,0,0,0|3,0,0]=4 580 B5R0.2 CSCNC=O Amb24421815 [1,0,0,0,0,0|3,0,0]=4 581 B5R0.2 C\C=C/CC=O Amb24728871 [1,0,0,0,0,0|1,0,1]=3 582 B5R0.2 C\C=C/CCO Amb19930204 [1,0,0,0,0,0|1,0,2]=4 583 B5R0.2 C\C=C\CCO Amb24655557 [1,0,0,0,0,0|1,0,2]=4 584 B5R0.2 N#CCCNO Amb22748730 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.2 N#CCNC=O Amb24618148 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.2 N#CCOC=O Amb22347946 [1,0,0,0,0,0|2,0,1]=4 587 B5R0.2 N#CSCC=O Amb25678532 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.2 NCCNC=O Amb25213948 [1,0,0,0,0,0|2,0,1]=4 589 B5R0.2 NCCOC=O Amb24612320 [1,0,0,0,0,0|2,0,1]=4 590 B5R0.2 NNCCCO Amb19514839 [1,0,0,0,0,0|2,0,1]=4 591 B5R0.2 NNCCCO Amb22058994 [1,0,0,0,0,0|2,0,1]=4 592 B5R0.2 NOCCCO Amb18061671 [1,0,0,0,0,0|2,0,1]=4 593 B5R0.2 N\C=C\CC=O Amb24706738 [1,0,0,0,0,0|1,0,1]=3 594 B5R0.2 O=CC#CC=O Amb25714016 [1,0,0,0,0,0|0,0,2]=3 595 B5R0.2 O=CCCC=O Amb22231966 [1,0,0,0,0,0|0,0,0]=1 596 B5R0.2 O=CCCCBr Amb18644189 [1,0,0,0,0,0|1,0,1]=3 597 B5R0.2 O=CCCCF Amb24056028 [1,0,0,0,0,0|1,0,1]=3 598 B5R0.2 O=CCCSCl Amb25146622 [1,0,0,0,0,0|2,0,0]=3 599 B5R0.2 O=CCCSS Amb22524519 [1,0,0,0,0,0|1,1,0]=3 600 B5R0.2 O=CCN=C=S Amb25833744 [1,0,0,0,0,0|1,1,1]=4 601 B5R0.2 O=CCOCBr Amb25765436 [1,0,0,0,0,0|2,0,1]=4 602 B5R0.2 O=CCOCC Amb24052108 [1,0,0,0,0,0|2,0,1]=4 603 B5R0.2 O=CCOCCl Amb24671305 [1,0,0,0,0,0|2,0,1]=4 604 B5R0.2 O=CC\C=C\Cl Amb24571938 [1,0,0,0,0,0|1,0,1]=3 605 B5R0.2 O=CN\C=C/[S-] Amb25108259 [1,0,0,0,0,0|1,1,1]=4 606 B5R0.2 O=COCCCl Amb22345927 [1,0,0,0,0,0|2,0,1]=4 607 B5R0.2 O=CSCCCl Amb25808568 [1,0,0,0,0,0|2,0,1]=4 608 B5R0.2 O=C\C=C\C=O Amb17593019 [1,0,0,0,0,0|0,0,2]=3 609 B5R0.2 OC=C\C=C\O Amb25024941 [1,0,0,0,0,0|0,0,3]=4 610 B5R0.2 OC=NCCCl Amb24684796 [1,0,0,0,0,0|2,0,1]=4 611 B5R0.2 OCC#CC=O Amb24566145 [1,0,0,0,0,0|0,0,3]=4 612 B5R0.2 OCCCC#C Amb1219893 [1,0,0,0,0,0|1,0,2]=4 613 B5R0.2 OCCCC=O Amb24589235 [1,0,0,0,0,0|0,0,1]=2 614 B5R0.2 OCCCCCl Amb1101976 [1,0,0,0,0,0|1,0,2]=4 615 B5R0.2 OCCCCF Amb17593046 [1,0,0,0,0,0|1,0,2]=4 616 B5R0.2 OCCCCI Amb25689806 [1,0,0,0,0,0|1,0,2]=4 617 B5R0.2 OCCCCS Amb22229807 [1,0,0,0,0,0|0,1,2]=4 618 B5R0.2 OCCCNCl Amb25146306 [1,0,0,0,0,0|2,0,1]=4 619 B5R0.2 OCCCNO Amb24719785 [1,0,0,0,0,0|1,0,2]=4 620 B5R0.2 OCCNC=S Amb24723087 [1,0,0,0,0,0|1,1,1]=4 621 B5R0.2 OCCOC=C Amb17674184 [1,0,0,0,0,0|2,0,1]=4 622 B5R0.2 OCCON=O Amb22363071 [1,0,0,0,0,0|2,0,1]=4 623 B5R0.2 OCCSN=O Amb25145493 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.2 OCC\C=C\I Amb24332782 [1,0,0,0,0,0|1,0,2]=4 625 B5R0.2 OC\C=C\C=O Amb24356008 [1,0,0,0,0,0|0,0,3]=4 626 B5R0.2 ON=CCC=O Amb25744688 [1,0,0,0,0,0|1,0,1]=3 627 B5R0.2 ON=CNC=O Amb25130798 [1,0,0,0,0,0|2,0,1]=4 628 B5R0.2 ONC\C=C\Cl Amb24540806 [1,0,0,0,0,0|2,0,1]=4 629 B5R0.2 O\C=C\CCO Amb24333503 [1,0,0,0,0,0|0,0,3]=4 630 B5R0.2 O\N=C\CC=O Amb24640219 [1,0,0,0,0,0|1,0,1]=3 631 B5R0.2 SCCCC=C Amb17939241 [1,0,0,0,0,0|1,1,1]=4 632 B5R0.2 [C-]#[N+]CCC=O Amb24706723 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [0,1,0,0,0,0|1,0,1]=3 634 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.2 C=C(CC(O)=O)C#C Amb24568901 [0,1,0,0,0,0|1,0,2]=4 636 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [0,1,0,0,0,0|1,0,1]=3 637 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [0,1,0,0,0,0|1,0,0]=2 638 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [0,1,0,0,0,0|1,0,0]=2 639 B7R0.2 C=CC(Cl)OC(=O)Cl Amb25349057 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [0,1,0,0,0,0|1,0,0]=2 641 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [0,1,0,0,0,0|1,0,0]=2 642 B7R0.2 C=CC(O)CC(=C)Br Amb25267039 [0,1,0,0,0,0|3,0,0]=4 643 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [0,1,0,0,0,0|1,0,0]=2 645 B7R0.2 C=CN(Br)CC(O)=O Amb24629979 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.2 C=C[C@@H](O)CC(N)=S Amb24745942 [0,1,0,0,0,0|2,1,0]=4 647 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [0,1,0,0,0,0|1,0,0]=2 648 B7R0.2 C=C[C@H](O)CC(N)=S Amb25772079 [0,1,0,0,0,0|2,1,0]=4 649 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [0,1,0,0,0,0|1,0,0]=2 650 B7R0.2 CC(=C)CC(O)C=C Amb24062963 [0,1,0,0,0,0|3,0,0]=4 651 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [0,1,0,0,0,0|0,0,2]=3 652 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [0,1,0,0,0,0|1,0,1]=3 653 B7R0.2 CC(=O)CC(Cl)CCl Amb25335495 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.2 CC(=O)CC(O)C#C Amb24690832 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [0,1,0,0,0,0|1,0,0]=2 657 B7R0.2 CC(=O)CC(O)CO Amb25304727 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [0,1,0,0,0,0|1,0,0]=2 659 B7R0.2 CC(=O)CN(C)C=O Amb25134136 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [0,1,0,0,0,0|1,0,2]=4 661 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.2 CC(=O)C[C@H](O)CCl Amb25810138 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.2 CC(=O)C\C(\Cl)=C/C Amb24553550 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.2 CC(=O)C\C(\Cl)=C\C Amb25834378 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.2 CC(=O)C\C(\Cl)=C\Cl Amb24736103 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.2 CC(=O)OC(=C)C=O Amb25695435 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.2 CC(=O)OC(Cl)C=C Amb24373805 [0,1,0,0,0,0|3,0,0]=4 668 B7R0.2 CC(=O)\C=C(\C)/C=O Amb18641689 [0,1,0,0,0,0|1,0,2]=4 669 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [0,1,0,0,0,0|1,0,1]=3 670 B7R0.2 CC(C)CC(C)C=O Amb18641813 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.2 CC(C)CC(Cl)C=O Amb24482192 [0,1,0,0,0,0|2,0,1]=4 672 B7R0.2 CC(C)C[C@@H](N)C=O Amb25698367 [0,1,0,0,0,0|2,0,1]=4 673 B7R0.2 CC(C)C[C@@H](O)C=O Amb25104909 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.2 CC(C)C[C@H](Cl)C=O Amb24661911 [0,1,0,0,0,0|2,0,1]=4 675 B7R0.2 CC(C=C)OC(=O)Cl Amb24550333 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.2 CC(C=O)C=C(C)C Amb18641696 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.2 CC(C=O)NC(C)=O Amb18641830 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.2 CC(C=O)OC(C)=O Amb18641863 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.2 CC(CBr)CC(C)=O Amb24365894 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.2 CC(CC(=C)Br)C=O Amb24380828 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.2 CC(CC(=O)Cl)C=C Amb25278347 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.2 CC(CC(C)=C)C=O Amb18641711 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.2 CC(CC(C)=O)=CCl Amb25685302 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.2 CC(CC(C)=O)C#C Amb24738456 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.2 CC(CC(C)=O)C#N Amb18124227 [0,1,0,0,0,0|2,0,1]=4 686 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [0,1,0,0,0,0|1,0,0]=2 687 B7R0.2 CC(CC(N)=O)=CCl Amb25663357 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.2 CC(CC(N)=O)CN Amb18641899 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.2 CC(CC(O)=O)=C=C Amb25265849 [0,1,0,0,0,0|1,0,2]=4 690 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [0,1,0,0,0,0|1,0,1]=3 691 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [0,1,0,0,0,0|1,0,0]=2 692 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [0,1,0,0,0,0|0,0,0]=1 693 B7R0.2 CC(CC(O)=O)CO Amb18198168 [0,1,0,0,0,0|0,0,2]=3 694 B7R0.2 CC(CC(O)=O)SCl Amb24483173 [0,1,0,0,0,0|2,0,0]=3 695 B7R0.2 CC(CC)CC(=O)Cl Amb10844649 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.2 CC(CN)CC(C)=O Amb18251072 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.2 CC(CN)CC(O)=O Amb18124263 [0,1,0,0,0,0|1,0,1]=3 698 B7R0.2 CC(CN)CC(O)=O Amb20669501 [0,1,0,0,0,0|1,0,1]=3 699 B7R0.2 CC(CN)CP(O)=O Amb25757942 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.2 CC(CO)CC(C)=O Amb24606485 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.2 CC(CO)CC(N)=O Amb24452895 [0,1,0,0,0,0|1,0,2]=4 702 B7R0.2 CC(NC)CC(=O)N Amb17231826 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.2 CC(O)CC(=O)C=O Amb24666713 [0,1,0,0,0,0|1,0,2]=4 704 B7R0.2 CC(O)CC(Cl)C=C Amb25731114 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.2 CC(O)CC(O)C=C Amb24397089 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.2 CCC(=C)CC(O)=O Amb18641782 [0,1,0,0,0,0|1,0,2]=4 707 B7R0.2 CCC(=O)CC(O)=O Amb18641869 [0,1,0,0,0,0|1,0,2]=4 708 B7R0.2 CCC(Br)CC(O)=O Amb24370499 [0,1,0,0,0,0|1,0,1]=3 709 B7R0.2 CCC(C)CC(N)=O Amb25230669 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.2 CCC(CC(=O)C)C Amb10608208 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.2 CCC(CC(=O)O)N Amb1993862 [0,1,0,0,0,0|1,0,1]=3 712 B7R0.2 CCC(CC(=O)O)O Amb10844270 [0,1,0,0,0,0|1,0,1]=3 713 B7R0.2 CCC(Cl)CC(=O)Cl Amb24390220 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.2 CCC(N)CC(C)=O Amb18631696 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.2 CCC(N)CC(N)=O Amb25727686 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.2 CCC(O)CC(C)=O Amb25065181 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.2 CCC(O)CC(N)=O Amb24616660 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.2 CCC(O)CC(O)=O Amb22363067 [0,1,0,0,0,0|1,0,1]=3 719 B7R0.2 CCC(S)CC(O)=O Amb18303084 [0,1,0,0,0,0|1,0,1]=3 720 B7R0.2 CCN(N)CC(O)=O Amb25738005 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.2 CC[C@@H](Br)CC(O)=O Amb24467852 [0,1,0,0,0,0|1,0,1]=3 723 B7R0.2 CC[C@@H](C)CC(=O)Cl Amb23425123 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.2 CC[C@@H](C)CC(N)=O Amb25310922 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [0,1,0,0,0,0|1,0,1]=3 726 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [0,1,0,0,0,0|1,0,1]=3 728 B7R0.2 CC[C@H](C)CC(C)=O Amb24614519 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [0,1,0,0,0,0|1,0,1]=3 730 B7R0.2 CC[S+](C)CC(O)=O Amb24710040 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.2 CN(C)CC(O)C=O Amb25233179 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.2 CN(CC(O)=O)C#N Amb25195711 [0,1,0,0,0,0|2,0,1]=4 733 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [0,1,0,0,0,0|1,0,0]=2 734 B7R0.2 CNC(C)CC(N)=O Amb19960012 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.2 CNC(C)CC(O)=O Amb21959674 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.2 CN[C@@H](C)CC(O)=O Amb25255193 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.2 CN[C@H](C)CC(O)=O Amb25339129 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.2 CO[C@@H](C)CC(O)=O Amb24481367 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.2 CO[C@@H](O)CC(C)=O Amb24450127 [0,1,0,0,0,0|3,0,0]=4 741 B7R0.2 CSC(C)CC(C)=O Amb25714199 [0,1,0,0,0,0|3,0,0]=4 742 B7R0.2 CSC(C)CC(O)=O Amb18967824 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.2 C[C@@H](C=C)NC(C)=O Amb25084335 [0,1,0,0,0,0|3,0,0]=4 744 B7R0.2 C[C@@H](C=O)C=C(C)C Amb24333258 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.2 C[C@@H](C=O)OC(C)=O Amb24724866 [0,1,0,0,0,0|2,0,0]=3 746 B7R0.2 C[C@@H](CC(=C)Br)C=O Amb25325003 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.2 C[C@@H](CC(C)=C)C=O Amb24375353 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.2 C[C@@H](CC(C)=O)C#C Amb25721483 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [0,1,0,0,0,0|1,0,0]=2 750 B7R0.2 C[C@@H](CC(O)=O)ON Amb25189045 [0,1,0,0,0,0|2,0,0]=3 751 B7R0.2 C[C@@H](CO)CC(C)=O Amb25072788 [0,1,0,0,0,0|1,0,2]=4 752 B7R0.2 C[C@@H](C[C@H](C)O)C=C Amb25763927 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.2 C[C@@H](O)CC(O)C=C Amb25207943 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.2 C[C@@H](O)C[C@H](O)C=C Amb25381234 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.2 C[C@H](C=O)C=C(C)C Amb25293775 [0,1,0,0,0,0|2,0,1]=4 756 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [0,1,0,0,0,0|1,0,0]=2 757 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [0,1,0,0,0,0|0,0,2]=3 758 B7R0.2 C\C(=C\C(O)=O)\C=C Amb18641686 [0,1,0,0,0,0|1,0,2]=4 759 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [0,1,0,0,0,0|0,0,2]=3 760 B7R0.2 C\C(\CC(N)=O)=C\C Amb25055448 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [0,1,0,0,0,0|1,0,1]=3 762 B7R0.2 C\C(\CC(O)=O)=N/O Amb25064289 [0,1,0,0,0,0|1,0,2]=4 763 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [0,1,0,0,0,0|1,0,1]=3 764 B7R0.2 NC(=O)CC(O)CO Amb25662216 [0,1,0,0,0,0|1,0,2]=4 765 B7R0.2 NC(=O)C[C@H](O)CCl Amb25791271 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.2 NC(CC(N)=O)C#N Amb24122907 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [0,1,0,0,0,0|1,0,0]=2 768 B7R0.2 NC(CF)CC(O)=O Amb24428065 [0,1,0,0,0,0|1,0,1]=3 769 B7R0.2 NC(CO)CC(N)=O Amb24384089 [0,1,0,0,0,0|1,0,2]=4 770 B7R0.2 NC(CS)CC(O)=O Amb25090412 [0,1,0,0,0,0|0,1,1]=3 771 B7R0.2 NCC(F)CC(O)=O Amb24550169 [0,1,0,0,0,0|1,0,1]=3 772 B7R0.2 NCC(N)CC(O)=O Amb19515145 [0,1,0,0,0,0|1,0,1]=3 773 B7R0.2 NCC(N)CC(O)=O Amb21858324 [0,1,0,0,0,0|1,0,1]=3 774 B7R0.2 NCC(N)CC(O)=O Amb22751661 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.2 NCC(O)CC(N)=O Amb18641952 [0,1,0,0,0,0|2,0,1]=4 776 B7R0.2 NCC(O)CP(O)=O Amb24714285 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.2 NC[C@@H](F)CP(O)=O Amb24481490 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [0,1,0,0,0,0|1,0,1]=3 779 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [0,1,0,0,0,0|1,0,1]=3 780 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [0,1,0,0,0,0|1,0,1]=3 781 B7R0.2 NC[C@H](F)CS(O)=O Amb25068064 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [0,1,0,0,0,0|1,0,1]=3 783 B7R0.2 NC[C@H](O)CP(O)=O Amb25324060 [0,1,0,0,0,0|2,0,1]=4 784 B7R0.2 NNC(=O)CC(O)=O Amb25073925 [0,1,0,0,0,0|2,0,1]=4 785 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [0,1,0,0,0,0|1,0,0]=2 786 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [0,1,0,0,0,0|1,0,1]=3 787 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [0,1,0,0,0,0|0,0,1]=2 788 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [0,1,0,0,0,0|1,0,2]=4 789 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [0,1,0,0,0,0|0,0,0]=1 790 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [0,1,0,0,0,0|0,0,2]=3 791 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [0,1,0,0,0,0|1,0,2]=4 792 B7R0.2 N\C(\CC(O)=O)=N/N Amb25281098 [0,1,0,0,0,0|2,0,1]=4 793 B7R0.2 O=C(Cl)CC(Cl)CCl Amb25138703 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.2 O=NN(CC(=O)O)C Amb17618622 [0,1,0,0,0,0|2,0,0]=3 795 B7R0.2 OC(=O)CC(=O)CCl Amb18124484 [0,1,0,0,0,0|1,0,2]=4 796 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [0,1,0,0,0,0|1,0,2]=4 797 B7R0.2 OC(=O)CC(Br)CCl Amb25834578 [0,1,0,0,0,0|1,0,1]=3 798 B7R0.2 OC(=O)CC(Cl)CCl Amb25335414 [0,1,0,0,0,0|1,0,1]=3 799 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [0,1,0,0,0,0|0,0,0]=1 800 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [0,1,0,0,0,0|1,0,0]=2 801 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [0,1,0,0,0,0|2,0,0]=3 802 B7R0.2 OC(=O)\C=C(/Cl)\C=O Amb24452824 [0,1,0,0,0,0|0,0,2]=3 803 B7R0.2 OC(CC(=O)Cl)CCl Amb25806118 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [0,1,0,0,0,0|1,0,1]=3 805 B7R0.2 OCC(O)CP(O)=O Amb25316128 [0,1,0,0,0,0|1,0,2]=4 806 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [0,1,0,0,0,0|0,0,2]=3 807 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [0,1,0,0,0,0|0,0,2]=3 808 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [0,1,0,0,0,0|1,0,1]=3 809 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [0,1,0,0,0,0|0,0,1]=2 810 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [0,1,0,0,0,0|0,0,3]=4 811 B7R0.3 BrCC(=O)NCC=C Amb2089072 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.3 C#CCCC(=O)CBr Amb25362236 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.3 C#CCCC(=O)CN Amb25678834 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.3 C#CCCC(=O)NN Amb18636071 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.3 C#CCCC(N)=NO Amb25025476 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.3 C=C(C=O)CCC#N Amb17593125 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.3 C=C(CO)CCCN Amb25747319 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.3 C=CC(=C)CCC=O Amb18123988 [0,1,0,0,0,0|2,0,0]=3 819 B7R0.3 C=CC(=O)CCC#N Amb18641280 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.3 C=CC(=O)CCCBr Amb24726349 [0,1,0,0,0,0|2,0,1]=4 821 B7R0.3 C=CC(=O)CCCCl Amb24568327 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.3 C=CC(=O)CCCN Amb25662517 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.3 C=CC(=O)CCCO Amb25284731 [0,1,0,0,0,0|1,0,2]=4 824 B7R0.3 C=CC(=O)C\C=C\Cl Amb25053088 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.3 C=CC(O)CCC=O Amb24573986 [0,1,0,0,0,0|1,0,1]=3 826 B7R0.3 C=CCCC(=C)C=O Amb25800063 [0,1,0,0,0,0|2,0,0]=3 827 B7R0.3 C=CCCC(=C)CO Amb25849790 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.3 C=CCCC(=O)C=C Amb24524288 [0,1,0,0,0,0|2,0,0]=3 829 B7R0.3 C=CCCC(=O)CBr Amb22059627 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.3 C=CCCC(=O)CCl Amb22059504 [0,1,0,0,0,0|2,0,0]=3 831 B7R0.3 C=CCCC(=O)CN Amb24411061 [0,1,0,0,0,0|2,0,0]=3 832 B7R0.3 C=CCCC(=O)CO Amb25763185 [0,1,0,0,0,0|1,0,0]=2 833 B7R0.3 C=CCCC(Cl)CO Amb24425971 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.3 C=CCCC(F)CO Amb25127775 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.3 C=CCCC(N)CO Amb25083009 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.3 C=CCCC(O)C#C Amb24592113 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.3 C=CCCC(O)C#N Amb25317619 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.3 C=CCCC(O)CCl Amb21962025 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.3 C=CCC[C@@H](O)C#C Amb25749222 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.3 C=CCC[C@@H](O)C#N Amb25098567 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.3 C=CCC[C@@H](O)CCl Amb25757947 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.3 C=CCC[C@H](O)C#C Amb25135268 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.3 C=CCC[C@H](O)C#N Amb25769459 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.3 C=CCC[C@H](O)CCl Amb24387324 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.3 C=CCC[C@H](O)CO Amb25847350 [0,1,0,0,0,0|1,0,2]=4 846 B7R0.3 C=CCC\C(=C\N)\Br Amb10576277 [0,1,0,0,0,0|3,0,0]=4 847 B7R0.3 C=CCNC(=O)CN Amb21958702 [0,1,0,0,0,0|3,0,0]=4 848 B7R0.3 C=CCNC(=O)NN Amb18559722 [0,1,0,0,0,0|3,0,0]=4 849 B7R0.3 C=CCOC(=C)C=O Amb18641684 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.3 C=CCOC(=O)C=O Amb18641760 [0,1,0,0,0,0|2,0,1]=4 851 B7R0.3 C=CCOC(=O)CBr Amb24634325 [0,1,0,0,0,0|3,0,0]=4 852 B7R0.3 C=CCOC(=O)CN Amb18641828 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.3 C=CCOC(=O)CO Amb24475151 [0,1,0,0,0,0|2,0,0]=3 854 B7R0.3 C=CCOC(=O)NN Amb25139013 [0,1,0,0,0,0|3,0,0]=4 855 B7R0.3 C=CCOC(=O)NO Amb24457536 [0,1,0,0,0,0|2,0,0]=3 856 B7R0.3 CC(CCC=C)C=O Amb25100921 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.3 CC(CCC=C)NO Amb25058311 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.3 CC(CCC=O)=C=C Amb24481520 [0,1,0,0,0,0|2,0,0]=3 859 B7R0.3 CC(CCC=O)C#N Amb18641636 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.3 CC(CCC=O)C=C Amb18641704 [0,1,0,0,0,0|2,0,1]=4 861 B7R0.3 CC(CCCCl)=NO Amb24353583 [0,1,0,0,0,0|2,0,1]=4 862 B7R0.3 CC(CO)CCC=O Amb25693017 [0,1,0,0,0,0|1,0,1]=3 863 B7R0.3 CCC(=C)CNC=O Amb25299418 [0,1,0,0,0,0|3,0,0]=4 864 B7R0.3 CCC(=O)CCC#N Amb25321503 [0,1,0,0,0,0|2,0,1]=4 865 B7R0.3 CCC(=O)CCC=O Amb18641783 [0,1,0,0,0,0|1,0,0]=2 866 B7R0.3 CCC(=O)CCCBr Amb25765636 [0,1,0,0,0,0|2,0,1]=4 867 B7R0.3 CCC(=O)CCCF Amb25101437 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.3 CCC(=O)CCCN Amb18833012 [0,1,0,0,0,0|2,0,1]=4 869 B7R0.3 CCC(=O)CCCO Amb24629709 [0,1,0,0,0,0|1,0,2]=4 870 B7R0.3 CCC(=O)CCSC Amb25680024 [0,1,0,0,0,0|3,0,0]=4 871 B7R0.3 CCC(=O)CNC=O Amb23442770 [0,1,0,0,0,0|2,0,0]=3 872 B7R0.3 CCC(=O)C\C=C/Cl Amb25810351 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.3 CCC(=O)NCC=O Amb17102054 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.3 CCC(=O)OCC=C Amb22050537 [0,1,0,0,0,0|3,0,0]=4 875 B7R0.3 CCC(=O)OCC=O Amb25779377 [0,1,0,0,0,0|2,0,0]=3 876 B7R0.3 CCC(=O)SCC=C Amb22043318 [0,1,0,0,0,0|3,0,0]=4 877 B7R0.3 CCC(=O)\C=C/C=O Amb25770041 [0,1,0,0,0,0|1,0,2]=4 878 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [0,1,0,0,0,0|1,0,2]=4 879 B7R0.3 CCC(C)CCC=O Amb25125664 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.3 CCC(O)CCC=C Amb22052608 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.3 CCC(O)COC=O Amb24642387 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.3 CCCCC(=C)CO Amb25079813 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.3 CCCCC(=N)OC Amb17617956 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.3 CCCCC(=N)OC Amb25353357 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.3 CCCCC(=O)C#N Amb22729179 [0,1,0,0,0,0|2,0,1]=4 886 B7R0.3 CCCCC(=O)C=C Amb25062494 [0,1,0,0,0,0|2,0,1]=4 887 B7R0.3 CCCCC(=O)C=O Amb18124252 [0,1,0,0,0,0|1,0,2]=4 888 B7R0.3 CCCCC(=O)CBr Amb24563421 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.3 CCCCC(=O)CCl Amb17593420 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.3 CCCCC(=O)CF Amb24483296 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.3 CCCCC(=O)CN Amb24473062 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.3 CCCCC(=O)SC Amb25225724 [0,1,0,0,0,0|1,1,1]=4 893 B7R0.3 CCCCC(C)=NO Amb19515982 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.3 CCCC[14C](=O)O[Na] Amb22734535 [0,1,0,0,0,0|1,0,1]=3 895 B7R0.3 CCCC[C@@H](O)C=O Amb24481527 [0,1,0,0,0,0|1,0,2]=4 896 B7R0.3 CCCC\C(\C)=N\O Amb21520448 [0,1,0,0,0,0|2,0,1]=4 897 B7R0.3 CCCNC(=O)OC Amb17797997 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.3 CCCOC(=O)NO Amb24630559 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.3 CCNCC(=O)OC Amb19514718 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.3 CCSCC(=O)CO Amb25686953 [0,1,0,0,0,0|2,0,1]=4 901 B7R0.3 CC[C@H](C)CCC=O Amb25102725 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.3 CC\C(\C)=C/CC=O Amb24657093 [0,1,0,0,0,0|2,0,1]=4 903 B7R0.3 CNC(=O)CCC#C Amb18636143 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.3 CNC(=O)CCC#N Amb17334052 [0,1,0,0,0,0|2,0,1]=4 905 B7R0.3 CNC(=O)CCC=C Amb25041195 [0,1,0,0,0,0|2,0,0]=3 906 B7R0.3 CNC(=O)CCCBr Amb24552452 [0,1,0,0,0,0|2,0,1]=4 907 B7R0.3 CNC(=O)CCCCl Amb1137464 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.3 CNC(=O)CCCO Amb17231829 [0,1,0,0,0,0|1,0,2]=4 909 B7R0.3 CNC(=O)CCN=C Amb24713898 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.3 CNC(=O)CCON Amb25744608 [0,1,0,0,0,0|3,0,0]=4 911 B7R0.3 CNC(=O)CN=C=O Amb25340772 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.3 CNC(=O)CNC=O Amb25789179 [0,1,0,0,0,0|2,0,0]=3 913 B7R0.3 CNC(=O)NCC=C Amb25067787 [0,1,0,0,0,0|3,0,0]=4 914 B7R0.3 CNC(=O)SCC=C Amb24334058 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.3 CNC(=S)CCC=C Amb24481333 [0,1,0,0,0,0|2,1,0]=4 916 B7R0.3 CNCCC(=O)C#C Amb24528728 [0,1,0,0,0,0|3,0,0]=4 917 B7R0.3 CNCCC(=O)NC Amb19959924 [0,1,0,0,0,0|3,0,0]=4 918 B7R0.3 CNCCC(=O)OC Amb22168213 [0,1,0,0,0,0|2,0,0]=3 919 B7R0.3 CNCC\C(\N)=N/O Amb19981296 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.3 CNCC\C(\N)=N\O Amb22410480 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.3 COC(=C)CCC=O Amb18641791 [0,1,0,0,0,0|1,0,0]=2 922 B7R0.3 COC(=C)CCCCl Amb25703575 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.3 COC(=N)CCC#N Amb17593155 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.3 COC(=N)CCCCl Amb16231406 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.3 COC(=O)CCC#C Amb18115985 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.3 COC(=O)CCC=C Amb2369959 [0,1,0,0,0,0|1,0,0]=2 927 B7R0.3 COC(=O)CCC=O Amb18124259 [0,1,0,0,0,0|0,0,0]=1 928 B7R0.3 COC(=O)CCCS Amb19373761 [0,1,0,0,0,0|0,1,1]=3 929 B7R0.3 COC(=O)CCNN Amb24524272 [0,1,0,0,0,0|2,0,0]=3 930 B7R0.3 COC(=O)CCNO Amb24644523 [0,1,0,0,0,0|1,0,1]=3 931 B7R0.3 COC(=O)CCON Amb18641968 [0,1,0,0,0,0|2,0,0]=3 932 B7R0.3 COC(=O)CC[Zn]Br Amb22898090 [0,1,0,0,0,0|2,0,0]=3 933 B7R0.3 COC(=O)CN=C=S Amb2371376 [0,1,0,0,0,0|1,1,1]=4 934 B7R0.3 COC(=O)CNC#N Amb24401724 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.3 COC(=O)CNC=O Amb22000868 [0,1,0,0,0,0|1,0,0]=2 936 B7R0.3 COC(=O)CNCO Amb25369412 [0,1,0,0,0,0|1,0,2]=4 937 B7R0.3 COC(=O)CNOC Amb25725740 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.3 COC(=O)COCBr Amb25288082 [0,1,0,0,0,0|2,0,1]=4 939 B7R0.3 COC(=O)CSC#N Amb24688007 [0,1,0,0,0,0|2,0,1]=4 940 B7R0.3 COC(=O)CSCCl Amb25689724 [0,1,0,0,0,0|2,0,1]=4 941 B7R0.3 COC(=O)C\C=C\I Amb24531368 [0,1,0,0,0,0|1,0,1]=3 942 B7R0.3 COC(=O)NCC=C Amb17794125 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.3 COC(=O)NCCBr Amb10608897 [0,1,0,0,0,0|2,0,1]=4 944 B7R0.3 COC(=O)NCCCl Amb24526396 [0,1,0,0,0,0|2,0,1]=4 945 B7R0.3 COC(=O)NCCN Amb18970459 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.3 COC(=O)OCCCl Amb25261257 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.3 COC(=O)\C=C/C=O Amb24483047 [0,1,0,0,0,0|0,0,2]=3 948 B7R0.3 COC(=O)\C=C\C=C Amb22350484 [0,1,0,0,0,0|1,0,2]=4 949 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [0,1,0,0,0,0|0,0,2]=3 950 B7R0.3 COC(=S)SCC=C Amb25052719 [0,1,0,0,0,0|2,1,0]=4 951 B7R0.3 COC(C)CNC=O Amb25127774 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.3 COCCC(=N)OC Amb24334438 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.3 COCCC(=O)C#N Amb24645428 [0,1,0,0,0,0|3,0,0]=4 954 B7R0.3 COCCC(=O)C=C Amb24744935 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.3 COCCC(=O)C=O Amb24722152 [0,1,0,0,0,0|2,0,1]=4 956 B7R0.3 COCCC(=O)CBr Amb25708389 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.3 COCCC(=O)CCl Amb20622320 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.3 COCCC(=O)CO Amb25049164 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.3 COCCC(=O)CS Amb24646143 [0,1,0,0,0,0|2,1,0]=4 960 B7R0.3 COCC\C(\N)=N/O Amb19890177 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.3 COCC\C(\N)=N\O Amb22490466 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.3 CO\C(\C)=C\CC=O Amb25365197 [0,1,0,0,0,0|1,0,1]=3 963 B7R0.3 CSC(=O)NCC=C Amb24531747 [0,1,0,0,0,0|2,1,0]=4 964 B7R0.3 CSC(=O)\C=C/C=O Amb25857347 [0,1,0,0,0,0|0,1,2]=4 965 B7R0.3 CSC(=O)\C=C\C=O Amb24680317 [0,1,0,0,0,0|0,1,2]=4 966 B7R0.3 CSCCC(=O)C#C Amb24402673 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.3 CSCCC(=O)C#N Amb25730124 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.3 CSCCC(=O)C=C Amb25334636 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.3 CSCCC(=O)NO Amb25756883 [0,1,0,0,0,0|2,0,0]=3 970 B7R0.3 CSCCC(N)=NO Amb25127504 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.3 CSCCC(O)C=O Amb25107714 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.3 CSCC[C@@H](O)C=O Amb24481522 [0,1,0,0,0,0|2,0,1]=4 973 B7R0.3 C[C@@H](CCC=O)C=C Amb25025116 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.3 C[C@@H](CO)CCC=C Amb25700125 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.3 C[C@@H](CO)CCC=O Amb24602985 [0,1,0,0,0,0|1,0,1]=3 976 B7R0.3 C[C@@H](CO)CNC=O Amb25180638 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.3 C[C@H](CCC=C)C=O Amb25790613 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.3 C[C@H](CCC=O)C=C Amb25810817 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [0,1,0,0,0,0|1,0,1]=3 980 B7R0.3 C\C(\C=C)=C\CC=O Amb18641621 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.3 C\C(\C=O)=C/CC=C Amb18123725 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.3 C\C(\CO)=C\CC=C Amb24363586 [0,1,0,0,0,0|2,0,1]=4 983 B7R0.3 C\C=C(/C)\CCC=O Amb18641710 [0,1,0,0,0,0|2,0,0]=3 984 B7R0.3 C\C=C(\C)/CCC=O Amb24425599 [0,1,0,0,0,0|2,0,0]=3 985 B7R0.3 C\C=C/CC(=C)C=O Amb25785570 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.3 C\C=C/CC(=O)CC Amb25357896 [0,1,0,0,0,0|2,0,1]=4 987 B7R0.3 C\C=C\CC(=C)CO Amb25256052 [0,1,0,0,0,0|2,0,1]=4 988 B7R0.3 C\C=C\CC(=O)CC Amb24590969 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.3 C\C=C\CC(=O)CCl Amb24349552 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.3 C\C=C\CC(=O)NC Amb25026166 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.3 C\C=C\CC(=O)NN Amb25264800 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.3 ClCC(=O)NCC=C Amb1151297 [0,1,0,0,0,0|3,0,0]=4 993 B7R0.3 ClCCCC(=O)CC Amb17593423 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.3 N#CCOC(=O)CO Amb24476607 [0,1,0,0,0,0|2,0,1]=4 995 B7R0.3 NC(CCCF)=NO Amb25263373 [0,1,0,0,0,0|2,0,1]=4 996 B7R0.3 NC(CNC=O)=NO Amb24481467 [0,1,0,0,0,0|2,0,0]=3 997 B7R0.3 NCC(=O)CCCO Amb24471240 [0,1,0,0,0,0|1,0,2]=4 998 B7R0.3 NCCCC(=O)NN Amb18061734 [0,1,0,0,0,0|2,0,1]=4 999 B7R0.3 NCCNC(=O)CO Amb18973279 [0,1,0,0,0,0|2,0,1]=4 1000 B7R0.3 NNC(=O)CCC#N Amb24501346 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.3 NNC(=O)CCCS Amb24706258 [0,1,0,0,0,0|1,1,1]=4 1002 B7R0.3 NNC(=O)CCNO Amb25128022 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.3 NOCCC(=O)C#N Amb24613190 [0,1,0,0,0,0|3,0,0]=4 1004 B7R0.3 O=C(CCCCl)CCl Amb22395285 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.3 O=C(CCl)CCCBr Amb22395325 [0,1,0,0,0,0|2,0,1]=4 1006 B7R0.3 O=CC(=O)CCCCl Amb24385284 [0,1,0,0,0,0|1,0,2]=4 1007 B7R0.3 O=CC(Cl)=CCC=O Amb24745897 [0,1,0,0,0,0|1,0,1]=3 1008 B7R0.3 O=CCCC(=O)C=O Amb25024665 [0,1,0,0,0,0|0,0,1]=2 1009 B7R0.3 O=CCCN(N=O)C Amb17617679 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.3 O=C\C=C/C(=O)C=O Amb25743044 [0,1,0,0,0,0|0,0,3]=4 1011 B7R0.3 OC(CBr)CCC=O Amb24559224 [0,1,0,0,0,0|1,0,1]=3 1012 B7R0.3 OC(CCl)CNC=O Amb25137565 [0,1,0,0,0,0|2,0,1]=4 1013 B7R0.3 OC(CCl)COC=O Amb25315901 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.3 OC(CO)CCC=C Amb10071251 [0,1,0,0,0,0|1,0,2]=4 1015 B7R0.3 OC(CS)SCC=O Amb24574024 [0,1,0,0,0,0|1,1,1]=4 1016 B7R0.3 OCC(=O)CCCCl Amb24481374 [0,1,0,0,0,0|1,0,1]=3 1017 B7R0.3 OCC(=O)\C=C/C=O Amb18641763 [0,1,0,0,0,0|0,0,2]=3 1018 B7R0.3 OCC(=O)\C=C\C=O Amb24574003 [0,1,0,0,0,0|0,0,2]=3 1019 B7R0.3 OCC(O)CCC=O Amb24669095 [0,1,0,0,0,0|0,0,2]=3 1020 B7R0.3 OCC(O)COC=O Amb25787203 [0,1,0,0,0,0|1,0,2]=4 1021 B7R0.3 OCC(O)OCC=O Amb25046498 [0,1,0,0,0,0|1,0,2]=4 1022 B7R0.3 OCCCC(O)C=O Amb18641948 [0,1,0,0,0,0|0,0,3]=4 1023 B7R0.3 OCCC[C@H](O)C=O Amb24570447 [0,1,0,0,0,0|0,0,3]=4 1024 B7R0.3 OC[C@@H](O)CCC=O Amb24482301 [0,1,0,0,0,0|0,0,2]=3 1025 B7R0.3 OC[C@H](O)CCC=O Amb25123219 [0,1,0,0,0,0|0,0,2]=3 1026 B7R0.3 OC[C@H](O)COC=O Amb25831941 [0,1,0,0,0,0|1,0,2]=4 1027 B7R0.3 O[C@@H](CBr)CCC=O Amb24390114 [0,1,0,0,0,0|1,0,1]=3 1028 B7R0.3 [N-]=[N+]=NCC(=O)OC Amb1101953 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.4 BrCCCCC(=O)C Amb16234126 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.4 C#CCCOC(=O)Cl Amb22360631 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.4 C#CCOCC(=O)Cl Amb24686000 [0,1,0,0,0,0|2,0,1]=4 1032 B7R0.4 C#CCSCC(=O)O Amb2372297 [0,1,0,0,0,0|1,0,1]=3 1033 B7R0.4 C#CCSCC(N)=O Amb24706564 [0,1,0,0,0,0|2,0,1]=4 1034 B7R0.4 C#C\C=C\CC(O)=O Amb24409578 [0,1,0,0,0,0|1,0,1]=3 1035 B7R0.4 C=C(Br)CCCC=O Amb24390485 [0,1,0,0,0,0|2,0,0]=3 1036 B7R0.4 C=C(Cl)CC#CC=O Amb25834439 [0,1,0,0,0,0|2,0,1]=4 1037 B7R0.4 C=CCCCB(O)O Amb22169115 [0,1,0,0,0,0|2,0,1]=4 1038 B7R0.4 C=CCCCC(=O)C Amb17593171 [0,1,0,0,0,0|2,0,0]=3 1039 B7R0.4 C=CCCCC(N)=N Amb24595568 [0,1,0,0,0,0|3,0,0]=4 1040 B7R0.4 C=CCCCC(N)=O Amb24579642 [0,1,0,0,0,0|2,0,0]=3 1041 B7R0.4 C=CCCC[N+]([O-])=O Amb22338382 [0,1,0,0,0,0|2,0,1]=4 1042 B7R0.4 C=CCCNC(N)=N Amb24761436 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.4 C=CCCNC(N)=O Amb25789999 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.4 C=CCCNC(N)=S Amb24744846 [0,1,0,0,0,0|2,1,0]=4 1045 B7R0.4 C=CCCNC(O)=S Amb25083092 [0,1,0,0,0,0|1,1,0]=3 1046 B7R0.4 C=CCNCC(=C)Br Amb10585861 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.4 C=CCNCC(=C)Br Amb22279683 [0,1,0,0,0,0|3,0,0]=4 1048 B7R0.4 C=CCNCC(=C)C Amb17308750 [0,1,0,0,0,0|3,0,0]=4 1049 B7R0.4 C=CCNCC(=C)Cl Amb18523813 [0,1,0,0,0,0|3,0,0]=4 1050 B7R0.4 C=CCNCC(=C)F Amb25303038 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.4 C=CCNCC(O)C Amb17138365 [0,1,0,0,0,0|2,0,1]=4 1052 B7R0.4 C=CCOCC(=C)Br Amb21927783 [0,1,0,0,0,0|3,0,0]=4 1053 B7R0.4 C=CCOCC(=C)[O-] Amb22732011 [0,1,0,0,0,0|2,0,1]=4 1054 B7R0.4 C=CCSCC(=C)Br Amb25130281 [0,1,0,0,0,0|3,0,0]=4 1055 B7R0.4 C=CCSCC(=O)O Amb1110888 [0,1,0,0,0,0|1,0,0]=2 1056 B7R0.4 C=CCSCC(N)=O Amb19129905 [0,1,0,0,0,0|2,0,0]=3 1057 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [0,1,0,0,0,0|1,0,1]=3 1058 B7R0.4 C=C\C=C\CC(N)=O Amb25848874 [0,1,0,0,0,0|2,0,1]=4 1059 B7R0.4 CC#CCCC(C)=O Amb24471185 [0,1,0,0,0,0|2,0,1]=4 1060 B7R0.4 CC(=C)C#CCC=O Amb24482170 [0,1,0,0,0,0|2,0,1]=4 1061 B7R0.4 CC(=C)CCCC=C Amb25787099 [0,1,0,0,0,0|3,0,0]=4 1062 B7R0.4 CC(=C)CCCC=O Amb18641705 [0,1,0,0,0,0|2,0,0]=3 1063 B7R0.4 CC(=C)C\C=C\C=O Amb18640955 [0,1,0,0,0,0|2,0,1]=4 1064 B7R0.4 CC(=O)CCCC#C Amb18115312 [0,1,0,0,0,0|2,0,1]=4 1065 B7R0.4 CC(=O)CCCC=O Amb18641775 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.4 CC(=O)CCN=C=O Amb24481500 [0,1,0,0,0,0|1,0,1]=3 1067 B7R0.4 CC(=O)CCN=[N+]=[N-] Amb18522048 [0,1,0,0,0,0|3,0,0]=4 1068 B7R0.4 CC(=O)CCNC=O Amb25075578 [0,1,0,0,0,0|1,0,0]=2 1069 B7R0.4 CC(=O)CCOC=O Amb24408302 [0,1,0,0,0,0|1,0,0]=2 1070 B7R0.4 CC(=O)CC\C=C/Br Amb25758398 [0,1,0,0,0,0|2,0,0]=3 1071 B7R0.4 CC(=O)CC\C=C\Br Amb25336747 [0,1,0,0,0,0|2,0,0]=3 1072 B7R0.4 CC(=O)CNCC#C Amb24528702 [0,1,0,0,0,0|2,0,1]=4 1073 B7R0.4 CC(=O)CNCCO Amb18108527 [0,1,0,0,0,0|1,0,2]=4 1074 B7R0.4 CC(=O)CNCCS Amb25328157 [0,1,0,0,0,0|1,1,1]=4 1075 B7R0.4 CC(=O)COCC=O Amb18641868 [0,1,0,0,0,0|1,0,0]=2 1076 B7R0.4 CC(=O)COCCCl Amb25346574 [0,1,0,0,0,0|2,0,1]=4 1077 B7R0.4 CC(=O)COCCN Amb18630459 [0,1,0,0,0,0|2,0,1]=4 1078 B7R0.4 CC(=O)CSCC#C Amb25333140 [0,1,0,0,0,0|2,0,1]=4 1079 B7R0.4 CC(=O)CSCC=C Amb25767863 [0,1,0,0,0,0|2,0,0]=3 1080 B7R0.4 CC(=O)CSCCCl Amb25110707 [0,1,0,0,0,0|2,0,1]=4 1081 B7R0.4 CC(=O)CSCCF Amb24621173 [0,1,0,0,0,0|2,0,1]=4 1082 B7R0.4 CC(=O)C\C=C\C=C Amb24711717 [0,1,0,0,0,0|2,0,1]=4 1083 B7R0.4 CC(=O)C\C=C\CO Amb24583096 [0,1,0,0,0,0|1,0,2]=4 1084 B7R0.4 CC(=O)NCCC#C Amb21942373 [0,1,0,0,0,0|2,0,1]=4 1085 B7R0.4 CC(=O)NCCCF Amb25048794 [0,1,0,0,0,0|2,0,1]=4 1086 B7R0.4 CC(=O)NCCCI Amb24733809 [0,1,0,0,0,0|2,0,1]=4 1087 B7R0.4 CC(=O)NCCCN Amb10610286 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.4 CC(=O)NCCNN Amb24117179 [0,1,0,0,0,0|3,0,0]=4 1089 B7R0.4 CC(=O)NCCNN Amb25076762 [0,1,0,0,0,0|3,0,0]=4 1090 B7R0.4 CC(=O)NCCON Amb17138368 [0,1,0,0,0,0|3,0,0]=4 1091 B7R0.4 CC(=O)NCCSCl Amb24482235 [0,1,0,0,0,0|3,0,0]=4 1092 B7R0.4 CC(=O)NCNC=O Amb24568316 [0,1,0,0,0,0|2,0,0]=3 1093 B7R0.4 CC(=O)NOCC=C Amb25189056 [0,1,0,0,0,0|3,0,0]=4 1094 B7R0.4 CC(=O)N\C=C\C=O Amb18124245 [0,1,0,0,0,0|1,0,2]=4 1095 B7R0.4 CC(=O)OCCC#N Amb18641722 [0,1,0,0,0,0|2,0,1]=4 1096 B7R0.4 CC(=O)OCCC=O Amb18641862 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.4 CC(=O)OCCCF Amb22008199 [0,1,0,0,0,0|2,0,1]=4 1098 B7R0.4 CC(=O)OCCCI Amb24532815 [0,1,0,0,0,0|2,0,1]=4 1099 B7R0.4 CC(=O)OCCCN Amb18641920 [0,1,0,0,0,0|2,0,1]=4 1100 B7R0.4 CC(=O)OCCCO Amb25854267 [0,1,0,0,0,0|1,0,2]=4 1101 B7R0.4 CC(=O)OC\C=C\Cl Amb25144667 [0,1,0,0,0,0|2,0,1]=4 1102 B7R0.4 CC(=O)O\C=C\C=O Amb25237598 [0,1,0,0,0,0|1,0,2]=4 1103 B7R0.4 CC(=O)SCCC#N Amb22351951 [0,1,0,0,0,0|2,0,1]=4 1104 B7R0.4 CC(=O)SCCC=C Amb24117956 [0,1,0,0,0,0|2,0,0]=3 1105 B7R0.4 CC(=O)SCCC=O Amb25101351 [0,1,0,0,0,0|1,0,0]=2 1106 B7R0.4 CC(=O)SCCCBr Amb17610077 [0,1,0,0,0,0|2,0,1]=4 1107 B7R0.4 CC(=O)SCCCF Amb25240055 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.4 CC(=O)SCCCN Amb25368304 [0,1,0,0,0,0|2,0,1]=4 1109 B7R0.4 CC(=O)SCNC=O Amb25378456 [0,1,0,0,0,0|2,0,0]=3 1110 B7R0.4 CC(=O)SC\C=C\Cl Amb24483090 [0,1,0,0,0,0|2,0,1]=4 1111 B7R0.4 CC(=O)SC\C=C\O Amb24371969 [0,1,0,0,0,0|1,0,2]=4 1112 B7R0.4 CC(=O)S\C=C\C=O Amb24668965 [0,1,0,0,0,0|1,0,2]=4 1113 B7R0.4 CC(Br)CCOC=O Amb25109882 [0,1,0,0,0,0|2,0,1]=4 1114 B7R0.4 CC(C)=C=CCC=O Amb24444474 [0,1,0,0,0,0|2,0,1]=4 1115 B7R0.4 CC(C)=CCCC=C Amb25789441 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.4 CC(C)CCCC=O Amb17940235 [0,1,0,0,0,0|2,0,1]=4 1117 B7R0.4 CC(O)CCC=C=C Amb25284488 [0,1,0,0,0,0|2,0,1]=4 1118 B7R0.4 CC(O)CCCC=C Amb22059432 [0,1,0,0,0,0|2,0,1]=4 1119 B7R0.4 CC(O)CCCC=O Amb18641887 [0,1,0,0,0,0|1,0,1]=3 1120 B7R0.4 CC(O)CCNC=O Amb24533830 [0,1,0,0,0,0|1,0,1]=3 1121 B7R0.4 CC(O)CCOC=C Amb25739848 [0,1,0,0,0,0|2,0,1]=4 1122 B7R0.4 CC(O)CC\C=C\Br Amb24443050 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.4 CC(O)COCC=C Amb22733640 [0,1,0,0,0,0|2,0,1]=4 1124 B7R0.4 CC(O)C\C=C\C=O Amb18641799 [0,1,0,0,0,0|1,0,2]=4 1125 B7R0.4 CC=C=CCC(C)=O Amb24100849 [0,1,0,0,0,0|2,0,1]=4 1126 B7R0.4 CC=C=CCC(O)=O Amb25118481 [0,1,0,0,0,0|1,0,1]=3 1127 B7R0.4 CC=CCCC(C)=C Amb22228882 [0,1,0,0,0,0|3,0,0]=4 1128 B7R0.4 CCCCCC([O-])=O Amb22337624 [0,1,0,0,0,0|1,0,2]=4 1129 B7R0.4 CCCCCC([O-])=O Amb22525161 [0,1,0,0,0,0|1,0,2]=4 1130 B7R0.4 CCCCCC([O-])=O Amb22730527 [0,1,0,0,0,0|1,0,2]=4 1131 B7R0.4 CCCCCC([O-])=O Amb22731343 [0,1,0,0,0,0|1,0,2]=4 1132 B7R0.4 CCCCC[13C](O)=O Amb22353417 [0,1,0,0,0,0|1,0,1]=3 1133 B7R0.4 CCCCNC(=O)Cl Amb24574309 [0,1,0,0,0,0|2,0,1]=4 1134 B7R0.4 CCCCOC(=O)F Amb24710483 [0,1,0,0,0,0|2,0,1]=4 1135 B7R0.4 CCCCSC(=O)C Amb10552685 [0,1,0,0,0,0|2,0,1]=4 1136 B7R0.4 CCCCSC(=O)Cl Amb22352826 [0,1,0,0,0,0|2,0,1]=4 1137 B7R0.4 CCCCSC(N)=O Amb24533653 [0,1,0,0,0,0|2,0,1]=4 1138 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [0,1,0,0,0,0|1,0,1]=3 1139 B7R0.4 CCCNCC(=O)N Amb1124632 [0,1,0,0,0,0|2,0,1]=4 1140 B7R0.4 CCCNCC(=O)O Amb10609640 [0,1,0,0,0,0|1,0,1]=3 1141 B7R0.4 CCCNCC(=O)O Amb1110628 [0,1,0,0,0,0|1,0,1]=3 1142 B7R0.4 CCCSCC(=O)O Amb1137113 [0,1,0,0,0,0|1,0,1]=3 1143 B7R0.4 CCNCCC(C)=O Amb18641851 [0,1,0,0,0,0|2,0,1]=4 1144 B7R0.4 CCOCCC(=O)Cl Amb20672027 [0,1,0,0,0,0|2,0,1]=4 1145 B7R0.4 CCSSCC(O)=O Amb25233433 [0,1,0,0,0,0|2,0,1]=4 1146 B7R0.4 CC\C=C\CC(N)=O Amb24595892 [0,1,0,0,0,0|2,0,1]=4 1147 B7R0.4 CN(C)CCCC=O Amb22753951 [0,1,0,0,0,0|3,0,0]=4 1148 B7R0.4 CN(C)CCCC=O Amb24117840 [0,1,0,0,0,0|3,0,0]=4 1149 B7R0.4 CN(C)CCNC=O Amb21858796 [0,1,0,0,0,0|3,0,0]=4 1150 B7R0.4 CNCCCC(=O)O Amb1153115 [0,1,0,0,0,0|1,0,1]=3 1151 B7R0.4 CNCCCC(N)=O Amb18303611 [0,1,0,0,0,0|2,0,1]=4 1152 B7R0.4 CNCCCS(O)=O Amb24656214 [0,1,0,0,0,0|2,0,1]=4 1153 B7R0.4 CNCCNC(N)=O Amb18299975 [0,1,0,0,0,0|3,0,0]=4 1154 B7R0.4 CNCCOC(C)=O Amb18124262 [0,1,0,0,0,0|3,0,0]=4 1155 B7R0.4 CNCCOC(N)=O Amb25136928 [0,1,0,0,0,0|3,0,0]=4 1156 B7R0.4 CNC\C=C\C(O)=O Amb25368293 [0,1,0,0,0,0|2,0,1]=4 1157 B7R0.4 COCCCC(=O)Cl Amb24481572 [0,1,0,0,0,0|1,0,2]=4 1158 B7R0.4 COCCCC(N)=O Amb24670109 [0,1,0,0,0,0|1,0,2]=4 1159 B7R0.4 COCCNC(=O)N Amb1104938 [0,1,0,0,0,0|3,0,0]=4 1160 B7R0.4 COCCOC(N)=O Amb25054225 [0,1,0,0,0,0|3,0,0]=4 1161 B7R0.4 COCSCC(C)=O Amb24717297 [0,1,0,0,0,0|3,0,0]=4 1162 B7R0.4 COC\C=C\C(O)=O Amb18296423 [0,1,0,0,0,0|2,0,1]=4 1163 B7R0.4 CONCCC(C)=O Amb25342369 [0,1,0,0,0,0|2,0,1]=4 1164 B7R0.4 CONCCC(N)=O Amb24481431 [0,1,0,0,0,0|2,0,1]=4 1165 B7R0.4 CONCCC(O)=O Amb24441275 [0,1,0,0,0,0|1,0,1]=3 1166 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [0,1,0,0,0,0|0,0,2]=3 1167 B7R0.4 CS(=O)CCNC=O Amb24350245 [0,1,0,0,0,0|2,0,0]=3 1168 B7R0.4 CSCCCC(=O)O Amb17503622 [0,1,0,0,0,0|0,1,1]=3 1169 B7R0.4 CSCCCC(C)=O Amb25122381 [0,1,0,0,0,0|1,1,1]=4 1170 B7R0.4 CSCCCC(N)=O Amb19129736 [0,1,0,0,0,0|1,1,1]=4 1171 B7R0.4 CSCCOC(=O)Cl Amb25857013 [0,1,0,0,0,0|3,0,0]=4 1172 B7R0.4 CSC\C=C\C(O)=O Amb18291627 [0,1,0,0,0,0|2,0,1]=4 1173 B7R0.4 CS\C=C/CC(C)=O Amb25064716 [0,1,0,0,0,0|1,1,1]=4 1174 B7R0.4 CS\C=C\CC(C)=O Amb24690833 [0,1,0,0,0,0|1,1,1]=4 1175 B7R0.4 C[C@@H](O)CCC=C=C Amb25134224 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [0,1,0,0,0,0|1,0,1]=3 1177 B7R0.4 C[C@@H](O)C\C=C\C=O Amb25310809 [0,1,0,0,0,0|1,0,2]=4 1178 B7R0.4 C[C@H](O)CCCC=C Amb24704360 [0,1,0,0,0,0|2,0,1]=4 1179 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [0,1,0,0,0,0|0,1,1]=3 1180 B7R0.4 C\C(\F)=C\CCC=O Amb25290222 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.4 C\C(\O)=C\C=C/C=O Amb25096071 [0,1,0,0,0,0|1,0,2]=4 1182 B7R0.4 C\C(\O)=C\C=CC=O Amb24741180 [0,1,0,0,0,0|1,0,2]=4 1183 B7R0.4 C\C=C/CCC(C)=O Amb24333832 [0,1,0,0,0,0|2,0,0]=3 1184 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [0,1,0,0,0,0|1,0,2]=4 1185 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [0,1,0,0,0,0|1,0,2]=4 1186 B7R0.4 C\C=C\CCC(=O)Cl Amb25246754 [0,1,0,0,0,0|2,0,0]=3 1187 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [0,1,0,0,0,0|1,0,0]=2 1188 B7R0.4 C\C=C\CCC(C)=C Amb25746764 [0,1,0,0,0,0|3,0,0]=4 1189 B7R0.4 C\C=C\CCC(N)=O Amb25343167 [0,1,0,0,0,0|2,0,0]=3 1190 B7R0.4 C\C=C\CNC(C)=O Amb24370252 [0,1,0,0,0,0|2,0,1]=4 1191 B7R0.4 C\C=C\OCC(C)=O Amb24481479 [0,1,0,0,0,0|2,0,1]=4 1192 B7R0.4 ClC(=O)OCCC=C Amb10844792 [0,1,0,0,0,0|2,0,0]=3 1193 B7R0.4 ClCCCOC(=O)Cl Amb10844795 [0,1,0,0,0,0|2,0,1]=4 1194 B7R0.4 ClCCOCC(=O)Cl Amb17610887 [0,1,0,0,0,0|2,0,1]=4 1195 B7R0.4 N#CCCCC(=O)C Amb17106756 [0,1,0,0,0,0|2,0,1]=4 1196 B7R0.4 N#CCCCC(O)=O Amb18560874 [0,1,0,0,0,0|1,0,1]=3 1197 B7R0.4 N#CCSCC(=O)C Amb17501747 [0,1,0,0,0,0|2,0,1]=4 1198 B7R0.4 N#CC\C=C\C(O)=O Amb18123863 [0,1,0,0,0,0|1,0,2]=4 1199 B7R0.4 N#CSCCC(O)=O Amb24481186 [0,1,0,0,0,0|1,0,1]=3 1200 B7R0.4 N#C\C=C/CC(O)=O Amb18641630 [0,1,0,0,0,0|1,0,1]=3 1201 B7R0.4 NC(=N)SCCC=C Amb1093104 [0,1,0,0,0,0|3,0,0]=4 1202 B7R0.4 NC(=O)CCCC#N Amb25337207 [0,1,0,0,0,0|2,0,1]=4 1203 B7R0.4 NC(=O)CCCCI Amb25788033 [0,1,0,0,0,0|2,0,1]=4 1204 B7R0.4 NC(=O)CCNC=O Amb24630476 [0,1,0,0,0,0|1,0,0]=2 1205 B7R0.4 NC(=O)CCSC#N Amb24333945 [0,1,0,0,0,0|2,0,1]=4 1206 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [0,1,0,0,0,0|2,0,0]=3 1207 B7R0.4 NC(=O)CNCCF Amb24443361 [0,1,0,0,0,0|2,0,1]=4 1208 B7R0.4 NC(=O)COCCBr Amb25133475 [0,1,0,0,0,0|2,0,1]=4 1209 B7R0.4 NC(=O)CONC=O Amb25783022 [0,1,0,0,0,0|2,0,0]=3 1210 B7R0.4 NC(=O)CSCC=O Amb25806671 [0,1,0,0,0,0|1,0,0]=2 1211 B7R0.4 NC(=O)CSCCCl Amb25846245 [0,1,0,0,0,0|2,0,1]=4 1212 B7R0.4 NC(=O)C\C=C\CCl Amb25169594 [0,1,0,0,0,0|2,0,1]=4 1213 B7R0.4 NC(=O)OCCCCl Amb24635478 [0,1,0,0,0,0|2,0,1]=4 1214 B7R0.4 NC(=O)SCCCCl Amb24481372 [0,1,0,0,0,0|2,0,1]=4 1215 B7R0.4 NC(N)=NCCC=O Amb25265924 [0,1,0,0,0,0|2,0,0]=3 1216 B7R0.4 NCCCCC(N)=O Amb18641897 [0,1,0,0,0,0|2,0,1]=4 1217 B7R0.4 NCCCCC([O-])=O Amb22753853 [0,1,0,0,0,0|1,0,2]=4 1218 B7R0.4 NCCCCP(O)=O Amb24520720 [0,1,0,0,0,0|2,0,1]=4 1219 B7R0.4 NCCCNC(N)=O Amb18296186 [0,1,0,0,0,0|2,0,1]=4 1220 B7R0.4 NCCCNC(N)=O Amb20622408 [0,1,0,0,0,0|2,0,1]=4 1221 B7R0.4 NCCCNC(O)=O Amb24093884 [0,1,0,0,0,0|1,0,1]=3 1222 B7R0.4 NCCNCC(=O)O Amb17608063 [0,1,0,0,0,0|1,0,1]=3 1223 B7R0.4 NCCNCC(O)=O Amb19958818 [0,1,0,0,0,0|1,0,1]=3 1224 B7R0.4 NCCOCC(N)=O Amb18523830 [0,1,0,0,0,0|2,0,1]=4 1225 B7R0.4 NCCOCC(N)=O Amb20631066 [0,1,0,0,0,0|2,0,1]=4 1226 B7R0.4 NCCOCC(O)=O Amb18630146 [0,1,0,0,0,0|1,0,1]=3 1227 B7R0.4 NCCOCC(O)=O Amb22751540 [0,1,0,0,0,0|1,0,1]=3 1228 B7R0.4 NCCSCC(=O)C Amb17500454 [0,1,0,0,0,0|2,0,1]=4 1229 B7R0.4 NCCSCC(=O)O Amb17500446 [0,1,0,0,0,0|1,0,1]=3 1230 B7R0.4 NCCSCC(O)=O Amb20622325 [0,1,0,0,0,0|1,0,1]=3 1231 B7R0.4 NCC\C=C\C(O)=O Amb25266868 [0,1,0,0,0,0|1,0,2]=4 1232 B7R0.4 NC\C=C\CC(O)=O Amb18641825 [0,1,0,0,0,0|1,0,1]=3 1233 B7R0.4 NNCCCC(O)=O Amb24455803 [0,1,0,0,0,0|1,0,1]=3 1234 B7R0.4 NOCCCC(=O)O Amb10975956 [0,1,0,0,0,0|0,0,2]=3 1235 B7R0.4 NOCCCC(O)=O Amb22011795 [0,1,0,0,0,0|0,0,2]=3 1236 B7R0.4 O=C(Cl)C\C=C\CCl Amb25127032 [0,1,0,0,0,0|2,0,1]=4 1237 B7R0.4 O=C(Cl)OCCCBr Amb25137067 [0,1,0,0,0,0|2,0,1]=4 1238 B7R0.4 O=C(Cl)OC\C=C/Cl Amb24710240 [0,1,0,0,0,0|2,0,1]=4 1239 B7R0.4 O=C(F)CCCCCl Amb24472276 [0,1,0,0,0,0|2,0,1]=4 1240 B7R0.4 O=C(F)OCCCCl Amb25122991 [0,1,0,0,0,0|2,0,1]=4 1241 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [0,1,0,0,0,0|1,0,1]=3 1242 B7R0.4 O=CCCC=C(C)C Amb17593168 [0,1,0,0,0,0|2,0,0]=3 1243 B7R0.4 O=CCCC=C(F)F Amb25827612 [0,1,0,0,0,0|2,0,0]=3 1244 B7R0.4 O=CCCCC(=O)O Amb17593198 [0,1,0,0,0,0|0,0,0]=1 1245 B7R0.4 O=CCCCC(F)F Amb25243487 [0,1,0,0,0,0|2,0,1]=4 1246 B7R0.4 O=CCCNC(=O)C Amb17102165 [0,1,0,0,0,0|1,0,0]=2 1247 B7R0.4 OC(=O)CCC=C=C Amb10605299 [0,1,0,0,0,0|1,0,0]=2 1248 B7R0.4 OC(=O)CCN=C=S Amb24562253 [0,1,0,0,0,0|0,1,1]=3 1249 B7R0.4 OC(=O)CCNC=O Amb18290434 [0,1,0,0,0,0|0,0,0]=1 1250 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [0,1,0,0,0,0|1,0,0]=2 1251 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [0,1,0,0,0,0|1,0,0]=2 1252 B7R0.4 OC(=O)CNCCS Amb18124468 [0,1,0,0,0,0|0,1,1]=3 1253 B7R0.4 OC(=O)COCCBr Amb24057760 [0,1,0,0,0,0|1,0,1]=3 1254 B7R0.4 OC(=O)COCCCl Amb21857870 [0,1,0,0,0,0|1,0,1]=3 1255 B7R0.4 OC(=O)CSCC=O Amb24628311 [0,1,0,0,0,0|0,0,0]=1 1256 B7R0.4 OC(=O)CSCCCl Amb18644703 [0,1,0,0,0,0|1,0,1]=3 1257 B7R0.4 OC(=O)CSCCS Amb24711400 [0,1,0,0,0,0|0,1,1]=3 1258 B7R0.4 OC(=O)CS\C=C/Cl Amb24693896 [0,1,0,0,0,0|1,0,1]=3 1259 B7R0.4 OC(=O)CS\C=C\Cl Amb18125504 [0,1,0,0,0,0|1,0,1]=3 1260 B7R0.4 OC(=O)C\C=C/CS Amb18124361 [0,1,0,0,0,0|0,1,1]=3 1261 B7R0.4 OC(=O)C\C=C\C=C Amb17593152 [0,1,0,0,0,0|1,0,1]=3 1262 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [0,1,0,0,0,0|0,0,1]=2 1263 B7R0.4 OC(=O)C\C=C\CBr Amb18125611 [0,1,0,0,0,0|1,0,1]=3 1264 B7R0.4 OC(=O)C\C=C\CCl Amb18124409 [0,1,0,0,0,0|1,0,1]=3 1265 B7R0.4 OC(=O)C\C=C\CS Amb24693621 [0,1,0,0,0,0|0,1,1]=3 1266 B7R0.4 OC(=O)\C=C\C=CCl Amb24562254 [0,1,0,0,0,0|1,0,2]=4 1267 B7R0.4 OC(=O)\C=C\CCBr Amb25702661 [0,1,0,0,0,0|1,0,2]=4 1268 B7R0.4 OCC#CCC(O)=O Amb24395623 [0,1,0,0,0,0|0,0,3]=4 1269 B7R0.4 OCCC#CC(O)=O Amb25844914 [0,1,0,0,0,0|0,0,3]=4 1270 B7R0.4 OCCCCC(=O)C Amb10603864 [0,1,0,0,0,0|1,0,2]=4 1271 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [0,1,0,0,0,0|0,0,3]=4 1272 B7R0.4 OCCCCC(O)=O Amb22351244 [0,1,0,0,0,0|0,0,2]=3 1273 B7R0.4 OCCSCC(=O)O Amb1110090 [0,1,0,0,0,0|0,0,2]=3 1274 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [0,1,0,0,0,0|0,0,3]=4 1275 B7R0.4 OP(=O)OCCCCl Amb24562481 [0,1,0,0,0,0|2,0,1]=4 1276 B7R0.4 SCCCCC(=O)O Amb17503767 [0,1,0,0,0,0|0,1,1]=3 1277 B7R0.4 [N-]=[N+]=NCCC(O)=O Amb20622326 [0,1,0,0,0,0|2,0,0]=3 1278 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [0,1,0,0,0,0|0,0,3]=4 1279 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [0,1,0,0,0,0|2,0,1]=4 1280 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [0,1,0,0,0,0|1,0,1]=3 1281 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [0,1,0,0,0,0|1,0,1]=3 1282 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [0,1,0,0,0,0|1,0,1]=3 1283 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [0,1,0,0,0,0|1,0,1]=3 1284 B7R0.5 C=C(CON)C(O)=O Amb25778441 [0,1,0,0,0,0|2,0,1]=4 1285 B7R0.5 C=CCC(Br)C(=O)Cl Amb25690180 [0,1,0,0,0,0|2,0,0]=3 1286 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [0,1,0,0,0,0|1,0,0]=2 1287 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [0,1,0,0,0,0|1,0,0]=2 1288 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [0,1,0,0,0,0|1,0,0]=2 1289 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [0,1,0,0,0,0|2,0,0]=3 1290 B7R0.5 C=CCC(O)C(=C)F Amb25847690 [0,1,0,0,0,0|3,0,0]=4 1291 B7R0.5 C=CCC(O)C(=C)O Amb25072081 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [0,1,0,0,0,0|1,0,0]=2 1293 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [0,1,0,0,0,0|1,0,0]=2 1294 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [0,1,0,0,0,0|1,0,0]=2 1295 B7R0.5 C=C\C=C(/Cl)\C(O)=O Amb18642910 [0,1,0,0,0,0|1,0,2]=4 1296 B7R0.5 C=C\C=C(/F)\C(O)=O Amb24402288 [0,1,0,0,0,0|1,0,2]=4 1297 B7R0.5 C=C\C=C(\N)/C(O)=O Amb25306109 [0,1,0,0,0,0|1,0,2]=4 1298 B7R0.5 CC#CC(C)C(O)=O Amb22748425 [0,1,0,0,0,0|1,0,2]=4 1299 B7R0.5 CC(=C)C(O)CC=O Amb24481571 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.5 CC(=C)[C@@H](O)CC=C Amb25856499 [0,1,0,0,0,0|3,0,0]=4 1301 B7R0.5 CC(=C)[C@H](O)CC=C Amb25257176 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.5 CC(=C=CC)C(O)=O Amb24481354 [0,1,0,0,0,0|1,0,2]=4 1303 B7R0.5 CC(=CC=O)C(N)=O Amb24548847 [0,1,0,0,0,0|1,0,2]=4 1304 B7R0.5 CC(=O)C(=C)CC=C Amb25043218 [0,1,0,0,0,0|2,0,1]=4 1305 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [0,1,0,0,0,0|1,0,1]=3 1306 B7R0.5 CC(=O)C(Cl)CC#N Amb18124339 [0,1,0,0,0,0|2,0,1]=4 1307 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [0,1,0,0,0,0|1,0,0]=2 1308 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [0,1,0,0,0,0|2,0,1]=4 1309 B7R0.5 CC(=O)C(F)CC=C Amb19889753 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.5 CC(=O)C(N)CCO Amb25087112 [0,1,0,0,0,0|1,0,2]=4 1311 B7R0.5 CC(=O)C(O)CC#N Amb24463934 [0,1,0,0,0,0|2,0,1]=4 1312 B7R0.5 CC(=O)C(O)CCS Amb24516694 [0,1,0,0,0,0|1,1,1]=4 1313 B7R0.5 CC(=O)C(S)CCO Amb25831127 [0,1,0,0,0,0|1,0,2]=4 1314 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [0,1,0,0,0,0|1,0,0]=2 1315 B7R0.5 CC(=O)[C@H](O)CC=C Amb24662420 [0,1,0,0,0,0|2,0,0]=3 1316 B7R0.5 CC(=O)\C(\C)=C/C=O Amb18641685 [0,1,0,0,0,0|1,0,2]=4 1317 B7R0.5 CC(C(=O)C)CCO Amb13881368 [0,1,0,0,0,0|1,0,2]=4 1318 B7R0.5 CC(C(=O)O)CC#N Amb17334056 [0,1,0,0,0,0|1,0,1]=3 1319 B7R0.5 CC(C(=O)O)CNC Amb13952364 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.5 CC(C)C(C)CC=O Amb18641816 [0,1,0,0,0,0|2,0,1]=4 1321 B7R0.5 CC(C)C(O)CC=O Amb24584440 [0,1,0,0,0,0|2,0,1]=4 1322 B7R0.5 CC(C)[C@H](C)CC=O Amb25253560 [0,1,0,0,0,0|2,0,1]=4 1323 B7R0.5 CC(C)[C@H](O)CC=O Amb24481570 [0,1,0,0,0,0|2,0,1]=4 1324 B7R0.5 CC(C=NO)C(O)=O Amb24616398 [0,1,0,0,0,0|1,0,2]=4 1325 B7R0.5 CC(CC#C)C(O)=O Amb18633959 [0,1,0,0,0,0|1,0,1]=3 1326 B7R0.5 CC(CC=C)C(=O)Cl Amb25702960 [0,1,0,0,0,0|2,0,0]=3 1327 B7R0.5 CC(CC=C)C(C)=O Amb19373098 [0,1,0,0,0,0|2,0,0]=3 1328 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [0,1,0,0,0,0|1,0,0]=2 1329 B7R0.5 CC(CC=O)N(C)C Amb18203067 [0,1,0,0,0,0|3,0,0]=4 1330 B7R0.5 CC(CCBr)C(=O)Cl Amb25798925 [0,1,0,0,0,0|2,0,1]=4 1331 B7R0.5 CC(CCCl)C(=O)Cl Amb25744436 [0,1,0,0,0,0|2,0,1]=4 1332 B7R0.5 CC(CCCl)C(=O)F Amb25839945 [0,1,0,0,0,0|2,0,1]=4 1333 B7R0.5 CC(CCF)C(O)=O Amb24678386 [0,1,0,0,0,0|1,0,1]=3 1334 B7R0.5 CC(CCN)C(C)=O Amb18251071 [0,1,0,0,0,0|2,0,1]=4 1335 B7R0.5 CC(CCN)C(N)=O Amb18641900 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.5 CC(CCN)C(O)=O Amb20667970 [0,1,0,0,0,0|1,0,1]=3 1337 B7R0.5 CC(CCO)C(O)=O Amb18641949 [0,1,0,0,0,0|0,0,2]=3 1338 B7R0.5 CC(CCS)C(O)=O Amb25133689 [0,1,0,0,0,0|0,1,1]=3 1339 B7R0.5 CC(NC=O)C(C)=O Amb23442778 [0,1,0,0,0,0|2,0,0]=3 1340 B7R0.5 CC(NC=O)C(C)O Amb25347778 [0,1,0,0,0,0|2,0,1]=4 1341 B7R0.5 CC(NC=O)C(N)=O Amb24533730 [0,1,0,0,0,0|2,0,0]=3 1342 B7R0.5 CC(NC=O)C(N)=S Amb25299165 [0,1,0,0,0,0|2,1,0]=4 1343 B7R0.5 CC(O)C(Cl)CC=C Amb25109284 [0,1,0,0,0,0|2,0,1]=4 1344 B7R0.5 CC(O)C(O)CC=C Amb24734248 [0,1,0,0,0,0|2,0,1]=4 1345 B7R0.5 CC(O)C(O)CC=O Amb25745503 [0,1,0,0,0,0|1,0,1]=3 1346 B7R0.5 CC(O)[C@@H](N)CC=C Amb24367846 [0,1,0,0,0,0|2,0,1]=4 1347 B7R0.5 CC(O)[C@H](N)CC=C Amb25336245 [0,1,0,0,0,0|2,0,1]=4 1348 B7R0.5 CC(SC#N)C(O)=O Amb24372688 [0,1,0,0,0,0|2,0,1]=4 1349 B7R0.5 CCCC(=C)C(O)=O Amb18641779 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.5 CCCC(=O)C(O)=O Amb22347924 [0,1,0,0,0,0|1,0,2]=4 1351 B7R0.5 CCCC(=O)C(O)=O Amb22733540 [0,1,0,0,0,0|1,0,2]=4 1352 B7R0.5 CCCC(Br)C(=O)Br Amb24369503 [0,1,0,0,0,0|2,0,1]=4 1353 B7R0.5 CCCC(C(=O)Cl)Br Amb17569837 [0,1,0,0,0,0|2,0,1]=4 1354 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [0,1,0,0,0,0|1,0,1]=3 1355 B7R0.5 CCCC(C(=O)O)O Amb2582532 [0,1,0,0,0,0|1,0,1]=3 1356 B7R0.5 CCCC(Cl)C(N)=O Amb25024550 [0,1,0,0,0,0|2,0,1]=4 1357 B7R0.5 CCCC(F)C(O)=O Amb25842008 [0,1,0,0,0,0|1,0,1]=3 1358 B7R0.5 CCCC(N)C(=O)S Amb25378817 [0,1,0,0,0,0|1,1,1]=4 1359 B7R0.5 CCCC(N)C(N)=O Amb22284825 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.5 CCCC(O)C(C)=O Amb22495823 [0,1,0,0,0,0|2,0,1]=4 1361 B7R0.5 CCCC(O)C(N)=O Amb24116553 [0,1,0,0,0,0|2,0,1]=4 1362 B7R0.5 CCCC(O)C([O-])=O Amb22731263 [0,1,0,0,0,0|1,0,2]=4 1363 B7R0.5 CCCC(O)P(O)=O Amb25143218 [0,1,0,0,0,0|2,0,1]=4 1364 B7R0.5 CCCC(S)C(C)=O Amb24689502 [0,1,0,0,0,0|2,0,1]=4 1365 B7R0.5 CCCC(S)C(O)=O Amb18124440 [0,1,0,0,0,0|1,0,1]=3 1366 B7R0.5 CCC[C@@H](C)C(C)=O Amb24631887 [0,1,0,0,0,0|2,0,1]=4 1367 B7R0.5 CCC[C@@H](C)C(N)=O Amb25257881 [0,1,0,0,0,0|2,0,1]=4 1368 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [0,1,0,0,0,0|2,0,1]=4 1369 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [0,1,0,0,0,0|2,0,1]=4 1370 B7R0.5 CCC[C@@H](O)C(C)=O Amb24432580 [0,1,0,0,0,0|2,0,1]=4 1371 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [0,1,0,0,0,0|1,0,1]=3 1372 B7R0.5 CCC[C@H](C)C(N)=O Amb25305606 [0,1,0,0,0,0|2,0,1]=4 1373 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [0,1,0,0,0,0|1,0,1]=3 1374 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [0,1,0,0,0,0|2,0,1]=4 1375 B7R0.5 CCC[C@H](O)C(N)=O Amb25082239 [0,1,0,0,0,0|2,0,1]=4 1376 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [0,1,0,0,0,0|1,0,1]=3 1377 B7R0.5 CCN[C@H](C)C(O)=O Amb24351099 [0,1,0,0,0,0|2,0,1]=4 1378 B7R0.5 CCOC(O)C(O)=O Amb24680848 [0,1,0,0,0,0|2,0,1]=4 1379 B7R0.5 CCO[C@H](C)C(O)=O Amb24660035 [0,1,0,0,0,0|2,0,1]=4 1380 B7R0.5 CCSC(O)C(O)=O Amb24444218 [0,1,0,0,0,0|2,0,1]=4 1381 B7R0.5 CCS[C@@H](C)C(O)=O Amb25083211 [0,1,0,0,0,0|2,0,1]=4 1382 B7R0.5 CCS[C@H](C)C(O)=O Amb25259517 [0,1,0,0,0,0|2,0,1]=4 1383 B7R0.5 CNCC(=C)C(O)=O Amb24561619 [0,1,0,0,0,0|2,0,1]=4 1384 B7R0.5 CNCC(C(=O)O)N Amb10071505 [0,1,0,0,0,0|2,0,0]=3 1385 B7R0.5 CNCC(C(=O)O)N Amb10845350 [0,1,0,0,0,0|2,0,0]=3 1386 B7R0.5 CNCC(C)C(C)=O Amb25340555 [0,1,0,0,0,0|3,0,0]=4 1387 B7R0.5 CNCC(F)C(O)=O Amb24666017 [0,1,0,0,0,0|2,0,0]=3 1388 B7R0.5 CNCC(N)C(N)=O Amb25316352 [0,1,0,0,0,0|3,0,0]=4 1389 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [0,1,0,0,0,0|2,0,0]=3 1390 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [0,1,0,0,0,0|2,0,0]=3 1391 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [0,1,0,0,0,0|2,0,0]=3 1392 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [0,1,0,0,0,0|2,0,0]=3 1393 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [0,1,0,0,0,0|2,0,0]=3 1394 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [0,1,0,0,0,0|2,0,0]=3 1395 B7R0.5 CNNC(C)C(O)=O Amb24070183 [0,1,0,0,0,0|3,0,0]=4 1396 B7R0.5 COCC(=O)C(O)=O Amb25304863 [0,1,0,0,0,0|2,0,1]=4 1397 B7R0.5 COCC(Br)C(C)=O Amb24483184 [0,1,0,0,0,0|3,0,0]=4 1398 B7R0.5 COCC(Br)C(N)=O Amb24740751 [0,1,0,0,0,0|3,0,0]=4 1399 B7R0.5 COCC(C(=O)O)Br Amb17594709 [0,1,0,0,0,0|2,0,0]=3 1400 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [0,1,0,0,0,0|2,0,0]=3 1401 B7R0.5 COCC(C)C(C)=O Amb24683449 [0,1,0,0,0,0|3,0,0]=4 1402 B7R0.5 COCC(C)S(O)=O Amb25280974 [0,1,0,0,0,0|3,0,0]=4 1403 B7R0.5 COCC(Cl)C(C)=O Amb25073897 [0,1,0,0,0,0|3,0,0]=4 1404 B7R0.5 COCC(F)C(O)=O Amb24526772 [0,1,0,0,0,0|2,0,0]=3 1405 B7R0.5 COCC(N)C(N)=O Amb18984372 [0,1,0,0,0,0|3,0,0]=4 1406 B7R0.5 COCC(O)C(C)=O Amb25072841 [0,1,0,0,0,0|3,0,0]=4 1407 B7R0.5 COCC(O)C(O)=O Amb18124273 [0,1,0,0,0,0|2,0,0]=3 1408 B7R0.5 COC[C@@H](N)C(N)=O Amb25211762 [0,1,0,0,0,0|3,0,0]=4 1409 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [0,1,0,0,0,0|2,0,0]=3 1410 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [0,1,0,0,0,0|2,0,0]=3 1411 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [0,1,0,0,0,0|2,0,0]=3 1412 B7R0.5 CSCC(C)C(=O)Cl Amb20247150 [0,1,0,0,0,0|3,0,0]=4 1413 B7R0.5 CSCC(C)C(C)=O Amb25268934 [0,1,0,0,0,0|3,0,0]=4 1414 B7R0.5 CSCC(C)C(N)=O Amb24475326 [0,1,0,0,0,0|3,0,0]=4 1415 B7R0.5 CSCC(C)C(O)=O Amb18967825 [0,1,0,0,0,0|2,0,0]=3 1416 B7R0.5 CSCC(N)C(N)=O Amb18294390 [0,1,0,0,0,0|3,0,0]=4 1417 B7R0.5 CSCC(O)C(O)=O Amb25131873 [0,1,0,0,0,0|2,0,0]=3 1418 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [0,1,0,0,0,0|2,0,0]=3 1419 B7R0.5 CSSC(C)C(O)=O Amb25701741 [0,1,0,0,0,0|3,0,0]=4 1420 B7R0.5 C[C@@H](C(=O)O)CC#C Amb10844029 [0,1,0,0,0,0|1,0,1]=3 1421 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [0,1,0,0,0,0|1,0,0]=2 1422 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [0,1,0,0,0,0|1,0,1]=3 1423 B7R0.5 C[C@@H](CC=C)C(N)=O Amb25232867 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.5 C[C@@H](CC=O)C(Cl)Cl Amb25321996 [0,1,0,0,0,0|2,0,1]=4 1425 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [0,1,0,0,0,0|0,1,1]=3 1426 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [0,1,0,0,0,0|1,0,0]=2 1427 B7R0.5 C[C@@H](NON)C(O)=O Amb24409085 [0,1,0,0,0,0|3,0,0]=4 1428 B7R0.5 C[C@@H](O)C(N)CC=C Amb24332662 [0,1,0,0,0,0|2,0,1]=4 1429 B7R0.5 C[C@@H](O)C(O)CC=C Amb25344994 [0,1,0,0,0,0|2,0,1]=4 1430 B7R0.5 C[C@@H](O)[C@H](F)CC=C Amb24420825 [0,1,0,0,0,0|2,0,1]=4 1431 B7R0.5 C[C@@H](O)[C@H](O)CC=C Amb25106054 [0,1,0,0,0,0|2,0,1]=4 1432 B7R0.5 C[C@H](C(=O)O)CC#C Amb10844036 [0,1,0,0,0,0|1,0,1]=3 1433 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [0,1,0,0,0,0|1,0,0]=2 1434 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [0,1,0,0,0,0|1,0,1]=3 1435 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [0,1,0,0,0,0|1,0,1]=3 1436 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [0,1,0,0,0,0|2,0,0]=3 1437 B7R0.5 C[C@H](CC#N)C(O)=O Amb24725603 [0,1,0,0,0,0|1,0,1]=3 1438 B7R0.5 C[C@H](CC=C)[C@@H](C)O Amb25072004 [0,1,0,0,0,0|2,0,1]=4 1439 B7R0.5 C[C@H](CC=C)[C@H](C)O Amb24717463 [0,1,0,0,0,0|2,0,1]=4 1440 B7R0.5 C[C@H](CC=O)C(Cl)Cl Amb25363179 [0,1,0,0,0,0|2,0,1]=4 1441 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [0,1,0,0,0,0|0,0,2]=3 1442 B7R0.5 C[C@H](N=[N+]=[N-])C(O)=O Amb25274282 [0,1,0,0,0,0|3,0,0]=4 1443 B7R0.5 C[C@H](NCO)C(O)=O Amb24401217 [0,1,0,0,0,0|1,0,2]=4 1444 B7R0.5 C[C@H](O)[C@@H](N)CC=C Amb25264318 [0,1,0,0,0,0|2,0,1]=4 1445 B7R0.5 C[C@H](O)[C@H](N)CC=C Amb24454742 [0,1,0,0,0,0|2,0,1]=4 1446 B7R0.5 C[C@H](SC#N)C(O)=O Amb24333429 [0,1,0,0,0,0|2,0,1]=4 1447 B7R0.5 C[Se]CC(=O)C(=O)O Amb17617778 [0,1,0,0,0,0|2,0,1]=4 1448 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [0,1,0,0,0,0|2,0,0]=3 1449 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [0,1,0,0,0,0|2,0,0]=3 1450 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [0,1,0,0,0,0|2,0,0]=3 1451 B7R0.5 C\C(=C/C=C)\C(O)=O Amb25258956 [0,1,0,0,0,0|1,0,2]=4 1452 B7R0.5 C\C=C/C(N)C(N)=O Amb24679364 [0,1,0,0,0,0|2,0,1]=4 1453 B7R0.5 C\C=C/C(O)C(=C)O Amb24437447 [0,1,0,0,0,0|2,0,1]=4 1454 B7R0.5 C\C=C/C(O)C(C)=O Amb24526785 [0,1,0,0,0,0|2,0,1]=4 1455 B7R0.5 C\C=C\C(=O)C(O)=O Amb24568283 [0,1,0,0,0,0|1,0,2]=4 1456 B7R0.5 C\C=C\C(C)C(N)=O Amb25299936 [0,1,0,0,0,0|2,0,1]=4 1457 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [0,1,0,0,0,0|1,0,1]=3 1458 B7R0.5 C\C=C\C(N)C(N)=O Amb24515058 [0,1,0,0,0,0|2,0,1]=4 1459 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [0,1,0,0,0,0|1,0,1]=3 1460 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [0,1,0,0,0,0|1,0,1]=3 1461 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [0,1,0,0,0,0|1,0,1]=3 1462 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [0,1,0,0,0,0|1,0,1]=3 1463 B7R0.5 C\C=C\[C@H](O)C(C)=O Amb25287343 [0,1,0,0,0,0|2,0,1]=4 1464 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [0,1,0,0,0,0|1,0,1]=3 1465 B7R0.5 N=C(NC=O)S(O)=O Amb25167503 [0,1,0,0,0,0|2,0,1]=4 1466 B7R0.5 NC(=O)C(Br)CCBr Amb25174083 [0,1,0,0,0,0|2,0,1]=4 1467 B7R0.5 NC(=O)C(O)CCO Amb25703294 [0,1,0,0,0,0|1,0,2]=4 1468 B7R0.5 NC(=O)C(S)CCO Amb24525295 [0,1,0,0,0,0|1,0,2]=4 1469 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [0,1,0,0,0,0|1,0,1]=3 1470 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [0,1,0,0,0,0|1,0,1]=3 1471 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [0,1,0,0,0,0|1,0,1]=3 1472 B7R0.5 NC(CCF)C(N)=O Amb24391278 [0,1,0,0,0,0|2,0,1]=4 1473 B7R0.5 NC(CCI)C(O)=O Amb25339674 [0,1,0,0,0,0|1,0,1]=3 1474 B7R0.5 NC(CCO)C(N)=O Amb24481392 [0,1,0,0,0,0|1,0,2]=4 1475 B7R0.5 NC(CCS)C(N)=O Amb24599383 [0,1,0,0,0,0|1,1,1]=4 1476 B7R0.5 NC(CCS)C(O)=O Amb19267093 [0,1,0,0,0,0|0,1,1]=3 1477 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [0,1,0,0,0,0|1,0,0]=2 1478 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [0,1,0,0,0,0|2,0,0]=3 1479 B7R0.5 NC(CSO)C(O)=O Amb24746797 [0,1,0,0,0,0|1,0,1]=3 1480 B7R0.5 NC(CSS)C(O)=O Amb24614616 [0,1,0,0,0,0|1,1,0]=3 1481 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [0,1,0,0,0,0|1,0,1]=3 1482 B7R0.5 NCCC(=O)C(O)=O Amb25724685 [0,1,0,0,0,0|1,0,2]=4 1483 B7R0.5 NCCC(C(=O)O)F Amb10838221 [0,1,0,0,0,0|1,0,1]=3 1484 B7R0.5 NCCC(C(=O)O)O Amb16232090 [0,1,0,0,0,0|1,0,1]=3 1485 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [0,1,0,0,0,0|1,0,1]=3 1486 B7R0.5 NCCC(F)C(O)=O Amb22229524 [0,1,0,0,0,0|1,0,1]=3 1487 B7R0.5 NCCC(N)C(N)=O Amb24634873 [0,1,0,0,0,0|2,0,1]=4 1488 B7R0.5 NCCC(N)C(O)=O Amb17678762 [0,1,0,0,0,0|1,0,1]=3 1489 B7R0.5 NCCC(N)C(O)=O Amb22348212 [0,1,0,0,0,0|1,0,1]=3 1490 B7R0.5 NCCC(S)C(O)=O Amb25083375 [0,1,0,0,0,0|1,0,1]=3 1491 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [0,1,0,0,0,0|1,0,1]=3 1492 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [0,1,0,0,0,0|1,0,1]=3 1493 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [0,1,0,0,0,0|1,0,1]=3 1494 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [0,1,0,0,0,0|1,0,1]=3 1495 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [0,1,0,0,0,0|1,0,1]=3 1496 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [0,1,0,0,0,0|1,0,1]=3 1497 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [0,1,0,0,0,0|1,0,1]=3 1498 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [0,1,0,0,0,0|1,0,1]=3 1499 B7R0.5 NOCC(N)C(N)=O Amb24388788 [0,1,0,0,0,0|3,0,0]=4 1500 B7R0.5 NOCC(N)C(O)=O Amb24184086 [0,1,0,0,0,0|2,0,0]=3 1501 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [0,1,0,0,0,0|2,0,0]=3 1502 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [0,1,0,0,0,0|2,0,0]=3 1503 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [0,1,0,0,0,0|1,0,1]=3 1504 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [0,1,0,0,0,0|1,0,1]=3 1505 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [0,1,0,0,0,0|0,0,0]=1 1506 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [0,1,0,0,0,0|0,0,0]=1 1507 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [0,1,0,0,0,0|1,0,1]=3 1508 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [0,1,0,0,0,0|0,0,2]=3 1509 B7R0.5 N[C@@H](CCS)P(O)=O Amb24594746 [0,1,0,0,0,0|1,1,1]=4 1510 B7R0.5 N[C@@H](CCS)S(O)=O Amb25784628 [0,1,0,0,0,0|1,1,1]=4 1511 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [0,1,0,0,0,0|1,0,1]=3 1512 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [0,1,0,0,0,0|2,0,0]=3 1513 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [0,1,0,0,0,0|2,0,0]=3 1514 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [0,1,0,0,0,0|1,0,1]=3 1515 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [0,1,0,0,0,0|1,0,1]=3 1516 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [0,1,0,0,0,0|1,0,0]=2 1517 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [0,1,0,0,0,0|1,0,1]=3 1518 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [0,1,0,0,0,0|0,1,1]=3 1519 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [0,1,0,0,0,0|1,0,1]=3 1520 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [0,1,0,0,0,0|1,0,1]=3 1521 B7R0.5 O=C(Br)C(Br)CCBr Amb22234970 [0,1,0,0,0,0|2,0,1]=4 1522 B7R0.5 O=C(Cl)C(Br)CCBr Amb19930045 [0,1,0,0,0,0|2,0,1]=4 1523 B7R0.5 O=C(Cl)C(Cl)CCCl Amb24423919 [0,1,0,0,0,0|2,0,1]=4 1524 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [0,1,0,0,0,0|0,0,0]=1 1525 B7R0.5 O=CCN(C(=O)C)C Amb17080668 [0,1,0,0,0,0|2,0,0]=3 1526 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [0,1,0,0,0,0|1,0,0]=2 1527 B7R0.5 OC(=O)C(=O)CCCl Amb24592167 [0,1,0,0,0,0|1,0,2]=4 1528 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [0,1,0,0,0,0|0,0,3]=4 1529 B7R0.5 OC(=O)C(=O)\C=C\O Amb24699120 [0,1,0,0,0,0|0,0,3]=4 1530 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [0,1,0,0,0,0|1,0,1]=3 1531 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [0,1,0,0,0,0|1,0,1]=3 1532 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [0,1,0,0,0,0|1,0,1]=3 1533 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [0,1,0,0,0,0|0,0,2]=3 1534 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [0,1,0,0,0,0|0,1,1]=3 1535 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [0,1,0,0,0,0|0,0,2]=3 1536 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [0,1,0,0,0,0|0,0,2]=3 1537 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [0,1,0,0,0,0|0,0,0]=1 1538 B7R0.5 OC(CCS)C(O)=O Amb24586206 [0,1,0,0,0,0|0,1,1]=3 1539 B7R0.5 OCCC(O)C(O)=O Amb24689942 [0,1,0,0,0,0|0,0,2]=3 1540 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [0,1,0,0,0,0|1,0,1]=3 1541 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [0,1,0,0,0,0|1,0,1]=3 1542 B7R0.5 [N-]=[N+]=NC(O)C(O)=O Amb24374125 [0,1,0,0,0,0|3,0,0]=4 1543 B7R0.6 C=C(Br)CCC(=C)Br Amb24565975 [0,1,0,0,0,0|3,0,0]=4 1544 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [0,1,0,0,0,0|1,0,0]=2 1545 B7R0.6 C=C(Cl)CCC(N)=O Amb25843741 [0,1,0,0,0,0|2,0,0]=3 1546 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [0,1,0,0,0,0|1,0,0]=2 1547 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [0,1,0,0,0,0|1,0,0]=2 1548 B7R0.6 CC(=C)CCC(=O)Cl Amb24640436 [0,1,0,0,0,0|2,0,0]=3 1549 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [0,1,0,0,0,0|1,0,0]=2 1550 B7R0.6 CC(=C)\C=C\C(=O)O Amb17593153 [0,1,0,0,0,0|1,0,2]=4 1551 B7R0.6 CC(=CCC(=O)C)C Amb17593170 [0,1,0,0,0,0|2,0,1]=4 1552 B7R0.6 CC(=N)SCC(O)=O Amb25704672 [0,1,0,0,0,0|2,0,0]=3 1553 B7R0.6 CC(=O)C=CC(C)=O Amb22346013 [0,1,0,0,0,0|1,0,2]=4 1554 B7R0.6 CC(=O)CC=C(Cl)Cl Amb25745505 [0,1,0,0,0,0|2,0,1]=4 1555 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,1,0,0,0,0|1,0,1]=3 1556 B7R0.6 CC(=O)CCC(=C)Br Amb24690678 [0,1,0,0,0,0|2,0,0]=3 1557 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [0,1,0,0,0,0|1,0,0]=2 1558 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [0,1,0,0,0,0|1,0,0]=2 1559 B7R0.6 CC(=O)CCC(Cl)Cl Amb25724918 [0,1,0,0,0,0|2,0,1]=4 1560 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [0,1,0,0,0,0|0,0,1]=2 1561 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [0,1,0,0,0,0|1,0,0]=2 1562 B7R0.6 CC(=O)CCS(=O)=O Amb25730256 [0,1,0,0,0,0|1,0,1]=3 1563 B7R0.6 CC(=O)CC[N+]([O-])=O Amb18198961 [0,1,0,0,0,0|1,0,1]=3 1564 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [0,1,0,0,0,0|2,0,0]=3 1565 B7R0.6 CC(=O)CSC(C)=C Amb25809979 [0,1,0,0,0,0|3,0,0]=4 1566 B7R0.6 CC(=O)CSC(C)=N Amb24634756 [0,1,0,0,0,0|3,0,0]=4 1567 B7R0.6 CC(=O)CSC(N)=N Amb24084924 [0,1,0,0,0,0|3,0,0]=4 1568 B7R0.6 CC(=O)CSC(N)=S Amb25044427 [0,1,0,0,0,0|2,1,0]=4 1569 B7R0.6 CC(=O)NCC(=C)Br Amb25804966 [0,1,0,0,0,0|3,0,0]=4 1570 B7R0.6 CC(=O)NCC(=C)Cl Amb25032220 [0,1,0,0,0,0|3,0,0]=4 1571 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [0,1,0,0,0,0|2,0,0]=3 1572 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,1,0,0,0,0|1,0,0]=2 1573 B7R0.6 CC(=O)NCC(=S)N Amb17231879 [0,1,0,0,0,0|2,1,0]=4 1574 B7R0.6 CC(=O)NCC(C)=C Amb25126091 [0,1,0,0,0,0|3,0,0]=4 1575 B7R0.6 CC(=O)NCC(O)O Amb25378443 [0,1,0,0,0,0|1,0,2]=4 1576 B7R0.6 CC(=O)OCC(=C)Br Amb25333124 [0,1,0,0,0,0|3,0,0]=4 1577 B7R0.6 CC(=O)OCC(=C)C Amb16187121 [0,1,0,0,0,0|3,0,0]=4 1578 B7R0.6 CC(=O)OCC(=C)Cl Amb24744447 [0,1,0,0,0,0|3,0,0]=4 1579 B7R0.6 CC(=O)OCC(=O)Br Amb25032214 [0,1,0,0,0,0|2,0,0]=3 1580 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,1,0,0,0,0|1,0,0]=2 1581 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,1,0,0,0,0|2,0,0]=3 1582 B7R0.6 CC(=O)OCS(C)=O Amb24667100 [0,1,0,0,0,0|3,0,0]=4 1583 B7R0.6 CC(=O)OOC(C)=O Amb22230214 [0,1,0,0,0,0|3,0,0]=4 1584 B7R0.6 CC(=O)SCC(=C)Cl Amb21960981 [0,1,0,0,0,0|3,0,0]=4 1585 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,1,0,0,0,0|2,0,0]=3 1586 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [0,1,0,0,0,0|1,0,0]=2 1587 B7R0.6 CC(=O)SCC(C)=O Amb25131248 [0,1,0,0,0,0|2,0,0]=3 1588 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,1,0,0,0,0|2,0,0]=3 1589 B7R0.6 CC(=O)SNC(N)=O Amb25843227 [0,1,0,0,0,0|3,0,0]=4 1590 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,1,0,0,0,0|3,0,0]=4 1591 B7R0.6 CC(=O)\C=C/C(C)=O Amb24551133 [0,1,0,0,0,0|1,0,2]=4 1592 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [0,1,0,0,0,0|0,0,2]=3 1593 B7R0.6 CC(=O)\C=C\C(=O)Cl Amb24643241 [0,1,0,0,0,0|1,0,2]=4 1594 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,1,0,0,0,0|1,0,2]=4 1595 B7R0.6 CC(=S)NCC(O)=O Amb24325138 [0,1,0,0,0,0|1,1,0]=3 1596 B7R0.6 CC(Br)CCC(=O)Cl Amb24483133 [0,1,0,0,0,0|2,0,1]=4 1597 B7R0.6 CC(Br)CCC(N)=O Amb24065438 [0,1,0,0,0,0|2,0,1]=4 1598 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [0,1,0,0,0,0|1,0,1]=3 1599 B7R0.6 CC(C)=CCC([O-])=O Amb22491058 [0,1,0,0,0,0|1,0,2]=4 1600 B7R0.6 CC(C)=NCC(O)=O Amb24481383 [0,1,0,0,0,0|2,0,0]=3 1601 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [0,1,0,0,0,0|1,0,1]=3 1602 B7R0.6 CC(C)CC[13C]([O-])=O Amb22369748 [0,1,0,0,0,0|1,0,2]=4 1603 B7R0.6 CC(CCC(=O)O)C Amb1153016 [0,1,0,0,0,0|1,0,1]=3 1604 B7R0.6 CC(CCC(=O)O)N Amb17593212 [0,1,0,0,0,0|1,0,1]=3 1605 B7R0.6 CC(Cl)=C=CC(O)=O Amb25321565 [0,1,0,0,0,0|1,0,2]=4 1606 B7R0.6 CC(Cl)=CCC(N)=O Amb25324975 [0,1,0,0,0,0|2,0,1]=4 1607 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,1,0,0,0,0|2,0,1]=4 1608 B7R0.6 CC(Cl)CCC(N)=O Amb24469692 [0,1,0,0,0,0|2,0,1]=4 1609 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [0,1,0,0,0,0|1,0,1]=3 1610 B7R0.6 CC(F)CCC(O)=O Amb24682772 [0,1,0,0,0,0|1,0,1]=3 1611 B7R0.6 CC(N)CCC(C)=O Amb24698356 [0,1,0,0,0,0|2,0,1]=4 1612 B7R0.6 CC(N)CCC(N)=O Amb18641901 [0,1,0,0,0,0|2,0,1]=4 1613 B7R0.6 CC(N)CCC(O)=O Amb19515603 [0,1,0,0,0,0|1,0,1]=3 1614 B7R0.6 CC(NCC(=O)O)C Amb2372347 [0,1,0,0,0,0|2,0,1]=4 1615 B7R0.6 CC(O)=NNC(N)=O Amb17777869 [0,1,0,0,0,0|3,0,0]=4 1616 B7R0.6 CC(O)CCC(C)=C Amb24062974 [0,1,0,0,0,0|2,0,1]=4 1617 B7R0.6 CC(O)CCC(C)=O Amb25829594 [0,1,0,0,0,0|1,0,1]=3 1618 B7R0.6 CC(O)CCC(O)=O Amb18294804 [0,1,0,0,0,0|0,0,2]=3 1619 B7R0.6 CC(O)COC(C)=O Amb24056158 [0,1,0,0,0,0|2,0,1]=4 1620 B7R0.6 CC(O)NCC(O)=O Amb25141558 [0,1,0,0,0,0|1,0,2]=4 1621 B7R0.6 CC(SCC(=O)O)C Amb1128460 [0,1,0,0,0,0|2,0,1]=4 1622 B7R0.6 CN(C)CCC(O)=O Amb19888182 [0,1,0,0,0,0|2,0,0]=3 1623 B7R0.6 CN(C)NCC(O)=O Amb24481366 [0,1,0,0,0,0|3,0,0]=4 1624 B7R0.6 CN(CCC(=O)C)C Amb1129203 [0,1,0,0,0,0|3,0,0]=4 1625 B7R0.6 CN(CCC(=O)N)C Amb17231825 [0,1,0,0,0,0|3,0,0]=4 1626 B7R0.6 CS(=O)CCC(N)=N Amb25248432 [0,1,0,0,0,0|3,0,0]=4 1627 B7R0.6 CS(=O)CCC(N)=O Amb24475802 [0,1,0,0,0,0|2,0,0]=3 1628 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [0,1,0,0,0,0|1,0,0]=2 1629 B7R0.6 CS(=O)NCC(N)=O Amb24589713 [0,1,0,0,0,0|3,0,0]=4 1630 B7R0.6 CS(=O)NCC(O)=O Amb25237322 [0,1,0,0,0,0|2,0,0]=3 1631 B7R0.6 CS(=O)\C=C\C(O)=O Amb18642965 [0,1,0,0,0,0|1,0,2]=4 1632 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [0,1,0,0,0,0|1,0,2]=4 1633 B7R0.6 C[C@@H](O)CCC(C)=C Amb22896943 [0,1,0,0,0,0|2,0,1]=4 1634 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [0,1,0,0,0,0|1,0,1]=3 1635 B7R0.6 C[C@@H](O)CNC(C)=O Amb25133822 [0,1,0,0,0,0|2,0,1]=4 1636 B7R0.6 C[C@@H](O)COC(C)=O Amb25832756 [0,1,0,0,0,0|2,0,1]=4 1637 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [0,1,0,0,0,0|0,1,1]=3 1638 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [0,1,0,0,0,0|1,0,1]=3 1639 B7R0.6 C[C@H](O)CNC(N)=O Amb24384732 [0,1,0,0,0,0|2,0,1]=4 1640 B7R0.6 C[C@H](O)CSC(C)=O Amb25256687 [0,1,0,0,0,0|2,0,1]=4 1641 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [0,1,0,0,0,0|2,0,0]=3 1642 B7R0.6 C[S+](C)CCC([O-])=O Amb20247306 [0,1,0,0,0,0|2,0,1]=4 1643 B7R0.6 NC(=N)CCC(=O)Cl Amb24565938 [0,1,0,0,0,0|2,0,0]=3 1644 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [0,1,0,0,0,0|1,0,0]=2 1645 B7R0.6 NC(=N)NCC(=O)Cl Amb25258517 [0,1,0,0,0,0|3,0,0]=4 1646 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [0,1,0,0,0,0|2,0,0]=3 1647 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [0,1,0,0,0,0|2,0,0]=3 1648 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [0,1,0,0,0,0|2,0,0]=3 1649 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [0,1,0,0,0,0|2,0,0]=3 1650 B7R0.6 NC(=O)CCB(O)O Amb24483052 [0,1,0,0,0,0|1,0,1]=3 1651 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [0,1,0,0,0,0|1,0,0]=2 1652 B7R0.6 NC(=O)CCC(F)F Amb25271130 [0,1,0,0,0,0|2,0,1]=4 1653 B7R0.6 NC(=O)CCC(N)=N Amb25680023 [0,1,0,0,0,0|2,0,0]=3 1654 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [0,1,0,0,0,0|1,0,0]=2 1655 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [0,1,0,0,0,0|1,0,0]=2 1656 B7R0.6 NC(=O)CNC(S)=S Amb24697901 [0,1,0,0,0,0|1,2,0]=4 1657 B7R0.6 NC(=O)CNC([O-])=S Amb25146514 [0,1,0,0,0,0|1,1,1]=4 1658 B7R0.6 NC(=O)CSC(N)=N Amb22261500 [0,1,0,0,0,0|3,0,0]=4 1659 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [0,1,0,0,0,0|2,0,0]=3 1660 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [0,1,0,0,0,0|1,0,0]=2 1661 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [0,1,0,0,0,0|2,0,0]=3 1662 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [0,1,0,0,0,0|2,0,0]=3 1663 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [0,1,0,0,0,0|1,0,0]=2 1664 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [0,1,0,0,0,0|2,0,0]=3 1665 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [0,1,0,0,0,0|1,0,0]=2 1666 B7R0.6 NC(=S)CCC(=S)N Amb10552426 [0,1,0,0,0,0|1,2,0]=4 1667 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [0,1,0,0,0,0|0,1,0]=2 1668 B7R0.6 NC(=S)CNC(N)=O Amb24667922 [0,1,0,0,0,0|2,1,0]=4 1669 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [0,1,0,0,0,0|1,1,0]=3 1670 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [0,1,0,0,0,0|1,1,0]=3 1671 B7R0.6 NC(=S)\C=C\C(O)=O Amb25707640 [0,1,0,0,0,0|0,1,2]=4 1672 B7R0.6 O=C(Cl)CCC(Cl)Cl Amb24441999 [0,1,0,0,0,0|2,0,1]=4 1673 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [0,1,0,0,0,0|1,0,0]=2 1674 B7R0.6 O=C([OH2+])[13C]#CC(=O)[OH2+] Amb22336968 [0,1,0,0,0,0|0,0,3]=4 1675 B7R0.6 OB(O)CCC(O)=O Amb24640288 [0,1,0,0,0,0|1,0,1]=3 1676 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,1,0,0,0,0|0,0,2]=3 1677 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,1,0,0,0,0|0,0,2]=3 1678 B7R0.6 OC(=O)CC=C(Cl)Cl Amb17593875 [0,1,0,0,0,0|1,0,1]=3 1679 B7R0.6 OC(=O)CC=C(F)F Amb25127059 [0,1,0,0,0,0|1,0,1]=3 1680 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [0,1,0,0,0,0|0,0,0]=1 1681 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [0,1,0,0,0,0|1,0,1]=3 1682 B7R0.6 OC(=O)CCC(F)F Amb20623135 [0,1,0,0,0,0|1,0,1]=3 1683 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,1,0,0,0,0|0,0,0]=1 1684 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,1,0,0,0,0|0,0,0]=1 1685 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,1,0,0,0,0|0,0,0]=1 1686 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,1,0,0,0,0|0,0,0]=1 1687 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [0,1,0,0,0,0|1,0,0]=2 1688 B7R0.6 OC(=O)CNC(S)=S Amb24739663 [0,1,0,0,0,0|1,1,0]=3 1689 B7R0.6 OC(=O)COC(S)=S Amb24739791 [0,1,0,0,0,0|1,1,0]=3 1690 B7R0.6 OC(=O)COS(=O)=O Amb25064798 [0,1,0,0,0,0|2,0,0]=3 1691 B7R0.6 OC(=O)CSC(S)=S Amb24608205 [0,1,0,0,0,0|1,1,0]=3 1692 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,1,0,0,0,0|0,0,0]=1 1693 B7R0.6 OC(=O)C\C=C(\F)/Cl Amb24599232 [0,1,0,0,0,0|1,0,1]=3 1694 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,1,0,0,0,0|1,0,0]=2 1695 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,1,0,0,0,0|0,0,0]=1 1696 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,1,0,0,0,0|0,0,0]=1 1697 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,1,0,0,0,0|0,0,2]=3 1698 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,1,0,0,0,0|0,0,2]=3 1699 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,1,0,0,0,0|0,0,2]=3 1700 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,1,0,0,0,0|0,0,2]=3 1701 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,1,0,0,0,0|0,0,2]=3 1702 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,1,0,0,0,0|0,0,2]=3 1703 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,1,0,0,0,0|0,0,2]=3 1704 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,1,0,0,0,0|0,0,2]=3 1705 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [0,1,0,0,0,0|1,0,2]=4 1706 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,1,0,0,0,0|0,0,2]=3 1707 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,1,0,0,0,0|0,0,2]=3 1708 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [0,1,0,0,0,0|0,0,1]=2 1709 B7R0.6 OC(O)CCC(O)=O Amb25762802 [0,1,0,0,0,0|0,0,2]=3 1710 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,1,0,0,0,0|0,0,0]=1 1711 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,1,0,0,0,0|0,0,0]=1 1712 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,1,0,0,0,0|0,0,2]=3 1713 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,1,0,0,0,0|0,0,0]=1 1714 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [0,1,0,0,0,0|0,0,0]=1 1715 B7R0.6 [15NH2][13C](=O)NN[13C](=O)[15NH2] Amb17615003 [0,1,0,0,0,0|3,0,0]=4 1716 B7R0.6 [O-]C(=O)/C=C/C([O-])=O Amb17942943 [0,1,0,0,0,0|0,0,3]=4 1717 B7R0.6 [O-]C(=O)C#CC(O)=O Amb19748298 [0,1,0,0,0,0|0,0,2]=3 1718 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [0,1,0,0,0,0|0,0,0]=1 1719 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [0,1,0,0,0,0|0,0,0]=1 1720 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [0,1,0,0,0,0|0,0,1]=2 1721 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [0,1,0,0,0,0|0,0,1]=2 1722 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [0,1,0,0,0,0|0,0,1]=2 1723 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [0,1,0,0,0,0|0,0,1]=2 1724 B7R0.6 [O-]C(=O)NCC([O-])=O Amb22731445 [0,1,0,0,0,0|1,0,1]=3 1725 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [0,1,0,0,0,0|0,0,2]=3 1726 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22731335 [0,1,0,0,0,0|0,0,3]=4 1727 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22733809 [0,1,0,0,0,0|0,0,3]=4 1728 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb24325338 [0,1,0,0,0,0|0,0,3]=4 1729 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [0,1,0,0,0,0|0,0,2]=3 1730 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [0,1,0,0,0,0|0,0,2]=3 1731 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb20246799 [0,1,0,0,0,0|0,0,3]=4 1732 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22002520 [0,1,0,0,0,0|0,0,3]=4 1733 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22043369 [0,1,0,0,0,0|0,0,3]=4 1734 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22730640 [0,1,0,0,0,0|0,0,3]=4 1735 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22732045 [0,1,0,0,0,0|0,0,3]=4 1736 B7R0.6 [O-][N+](=O)CCC(=O)Cl Amb24532013 [0,1,0,0,0,0|1,0,1]=3 1737 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [0,1,0,0,0,0|1,0,0]=2 1738 B7R0.6 [O-][N+](=O)\C=C\C(O)=O Amb25736416 [0,1,0,0,0,0|1,0,2]=4 1739 B7R0.8 C=CCCS(=O)(=O)Cl Amb18862513 [0,1,0,0,0,0|2,0,1]=4 1740 B7R0.8 CC(C)(C)CCC=O Amb18641814 [0,1,0,0,0,0|2,0,1]=4 1741 B7R0.8 CC(C)(F)CCC=O Amb25223234 [0,1,0,0,0,0|2,0,1]=4 1742 B7R0.8 CCCCP(O)(O)=O Amb22053921 [0,1,0,0,0,0|2,0,1]=4 1743 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [0,1,0,0,0,0|2,0,1]=4 1744 B7R0.8 CCCCS(O)(=O)=O Amb22269868 [0,1,0,0,0,0|2,0,1]=4 1745 B7R0.8 CP(O)(=O)CCCO Amb24448096 [0,1,0,0,0,0|1,0,2]=4 1746 B7R0.8 CS(=O)(=O)CNC=O Amb23453031 [0,1,0,0,0,0|2,0,1]=4 1747 B7R0.8 CSCCS(O)(=O)=O Amb25200266 [0,1,0,0,0,0|3,0,0]=4 1748 B7R0.8 C[N+](C)(C)CCC=O Amb25831387 [0,1,0,0,0,0|3,0,0]=4 1749 B7R0.8 C[Si](C)(C)CCC=O Amb24374948 [0,1,0,0,0,0|2,1,0]=4 1750 B7R0.8 NCCCS(O)(=O)=O Amb22349635 [0,1,0,0,0,0|2,0,1]=4 1751 B7R0.8 NNCCP(O)(O)=O Amb25784125 [0,1,0,0,0,0|3,0,0]=4 1752 B7R0.8 O=CCCC(Cl)(Cl)Cl Amb24666719 [0,1,0,0,0,0|2,0,1]=4 1753 B7R0.8 O=CCCC(F)(F)F Amb10602378 [0,1,0,0,0,0|2,0,1]=4 1754 B7R0.8 O=CCCC(F)(F)F Amb24056014 [0,1,0,0,0,0|2,0,1]=4 1755 B7R0.8 O=CCNS(=O)(=O)C Amb17102114 [0,1,0,0,0,0|2,0,1]=4 1756 B7R0.8 OCCCS(O)(=O)=O Amb22002051 [0,1,0,0,0,0|1,0,2]=4 1757 B7R0.8 OCCCS(O)(=O)=O Amb22360758 [0,1,0,0,0,0|1,0,2]=4 1758 B7R0.8 OP(O)(=O)CCC=O Amb25350486 [0,1,0,0,0,0|1,0,0]=2 1759 B7R0.8 OP(O)(=O)CCCCl Amb22388825 [0,1,0,0,0,0|2,0,1]=4 1760 B7R0.8 OP(O)(=O)CNC=O Amb24452772 [0,1,0,0,0,0|2,0,0]=3 1761 B7R0.8 OP(O)(=O)\C=C\C=O Amb24612131 [0,1,0,0,0,0|1,0,2]=4 1762 B7R0.8 OS(=O)(=O)CCC=O Amb25326186 [0,1,0,0,0,0|1,0,0]=2 1763 B7R0.8 OS(=O)(=O)CCCS Amb20620653 [0,1,0,0,0,0|1,1,1]=4 1764 B7R0.8 OS(=O)(=O)CCCS Amb22360759 [0,1,0,0,0,0|1,1,1]=4 1765 B7R0.8 OS(=O)(=O)\C=C\C=O Amb25662826 [0,1,0,0,0,0|1,0,2]=4 1766 B7R1.2 BrC1=CC(=O)OC1 Amb10067500 [0,0,0,1,0,0|3,0,0]=4 1767 B7R1.2 C=C1C=CC(=O)O1 Amb22001002 [0,0,0,1,0,0|1,0,2]=4 1768 B7R1.2 C=C1CC(=O)NC1 Amb25767177 [0,0,0,1,0,0|3,0,0]=4 1769 B7R1.2 C=C1CC(=O)OC1 Amb24589821 [0,0,0,1,0,0|3,0,0]=4 1770 B7R1.2 C=C1CC(O)CC1 Amb25246529 [0,0,0,1,0,0|2,0,1]=4 1771 B7R1.2 C=C1COC(=O)N1 Amb24541155 [0,0,0,1,0,0|3,0,0]=4 1772 B7R1.2 C=C1COC(=O)O1 Amb20248769 [0,0,0,1,0,0|2,0,0]=3 1773 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [0,0,0,1,0,0|3,0,0]=4 1774 B7R1.2 CC1=CCC(=O)N1 Amb24119179 [0,0,0,1,0,0|2,0,1]=4 1775 B7R1.2 CC1=CNC(=O)O1 Amb22298623 [0,0,0,1,0,0|2,0,1]=4 1776 B7R1.2 CC1=COC(=O)O1 Amb24693155 [0,0,0,1,0,0|2,0,1]=4 1777 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [0,0,0,1,0,0|3,0,0]=4 1778 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [0,0,0,1,0,0|3,0,0]=4 1779 B7R1.2 CC1CCC(=O)N1 Amb19267101 [0,0,0,1,0,0|2,0,1]=4 1780 B7R1.2 CC1CCC(=S)O1 Amb25361484 [0,0,0,1,0,0|1,1,1]=4 1781 B7R1.2 CC1CNC(=O)O1 Amb19651732 [0,0,0,1,0,0|2,0,1]=4 1782 B7R1.2 CC1OC(=O)CS1 Amb25314322 [0,0,0,1,0,0|2,0,1]=4 1783 B7R1.2 CC=1CC(=O)CC1 Amb25319016 [0,0,0,1,0,0|2,0,1]=4 1784 B7R1.2 CC=1CC[C@H](O)C1 Amb24705946 [0,0,0,1,0,0|2,0,1]=4 1785 B7R1.2 CC=1CNC(=O)C1 Amb24479892 [0,0,0,1,0,0|3,0,0]=4 1786 B7R1.2 CC=1COC(=O)C1 Amb22002703 [0,0,0,1,0,0|3,0,0]=4 1787 B7R1.2 CN1CC(=O)CC1 Amb22236123 [0,0,0,1,0,0|3,0,0]=4 1788 B7R1.2 CN1CCC(=O)N1 Amb24064860 [0,0,0,1,0,0|3,0,0]=4 1789 B7R1.2 CN1CCC(O)=C1 Amb24079726 [0,0,0,1,0,0|3,0,0]=4 1790 B7R1.2 C[C@@H]1CC(=O)CC1 Amb22801305 [0,0,0,1,0,0|2,0,1]=4 1791 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [0,0,0,1,0,0|2,0,1]=4 1792 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [0,0,0,1,0,0|2,0,1]=4 1793 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [0,0,0,1,0,0|2,0,1]=4 1794 B7R1.2 C[C@H]1CNC(=O)O1 Amb24480854 [0,0,0,1,0,0|2,0,1]=4 1795 B7R1.2 ClC1COC(=O)O1 Amb10842117 [0,0,0,1,0,0|2,0,1]=4 1796 B7R1.2 FC1COC(=O)O1 Amb10841016 [0,0,0,1,0,0|2,0,1]=4 1797 B7R1.2 IC1=CC(=O)OC1 Amb2455617 [0,0,0,1,0,0|3,0,0]=4 1798 B7R1.2 N=C1CCC(=O)N1 Amb10552414 [0,0,0,1,0,0|2,0,0]=3 1799 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [0,0,0,1,0,0|3,0,0]=4 1800 B7R1.2 NC1=CC(=O)CN1 Amb25268710 [0,0,0,1,0,0|3,0,0]=4 1801 B7R1.2 NC1=CC(=O)CO1 Amb24516411 [0,0,0,1,0,0|3,0,0]=4 1802 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [0,0,0,1,0,0|3,0,0]=4 1803 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [0,0,0,1,0,0|2,0,1]=4 1804 B7R1.2 NC1=NCC(=O)O1 Amb24061087 [0,0,0,1,0,0|2,0,0]=3 1805 B7R1.2 NC1=NCC(=O)S1 Amb25810910 [0,0,0,1,0,0|2,1,0]=4 1806 B7R1.2 NC1CC(=O)CC1 Amb22236085 [0,0,0,1,0,0|2,0,1]=4 1807 B7R1.2 NC1CC(=O)CC1 Amb22494268 [0,0,0,1,0,0|2,0,1]=4 1808 B7R1.2 NC1CCC(=O)N1 Amb24480433 [0,0,0,1,0,0|2,0,1]=4 1809 B7R1.2 NC1CCC(=O)O1 Amb17593085 [0,0,0,1,0,0|1,0,1]=3 1810 B7R1.2 NC1CCC(=O)S1 Amb24479819 [0,0,0,1,0,0|1,1,1]=4 1811 B7R1.2 NC=1CCC(=N)N1 Amb25328655 [0,0,0,1,0,0|3,0,0]=4 1812 B7R1.2 NC=1CNC(=O)N1 Amb22059492 [0,0,0,1,0,0|3,0,0]=4 1813 B7R1.2 NC=1COC(=O)N1 Amb24576517 [0,0,0,1,0,0|3,0,0]=4 1814 B7R1.2 NC=1NC(=O)CN1 Amb21964674 [0,0,0,1,0,0|3,0,0]=4 1815 B7R1.2 NC=1NCC(=O)N1 Amb18639307 [0,0,0,1,0,0|3,0,0]=4 1816 B7R1.2 O=C1C=C(Br)CN1 Amb23400584 [0,0,0,1,0,0|3,0,0]=4 1817 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [0,0,0,1,0,0|3,0,0]=4 1818 B7R1.2 O=C1C=C(Br)CS1 Amb25026198 [0,0,0,1,0,0|3,0,0]=4 1819 B7R1.2 O=C1C=C(Cl)CO1 Amb25241116 [0,0,0,1,0,0|3,0,0]=4 1820 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [0,0,0,1,0,0|1,0,2]=4 1821 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [0,0,0,1,0,0|0,0,2]=3 1822 B7R1.2 O=C1C=CC(=O)O1 Amb22369065 [0,0,0,1,0,0|0,0,2]=3 1823 B7R1.2 O=C1C=CC(=O)S1 Amb24603022 [0,0,0,1,0,0|0,1,2]=4 1824 B7R1.2 O=C1C=C[13C](=O)O1 Amb22367487 [0,0,0,1,0,0|0,0,2]=3 1825 B7R1.2 O=C1CC(=O)C=C1 Amb22338203 [0,0,0,1,0,0|1,0,2]=4 1826 B7R1.2 O=C1CC(Br)CC1 Amb24334292 [0,0,0,1,0,0|2,0,1]=4 1827 B7R1.2 O=C1CC(F)CC1 Amb21963553 [0,0,0,1,0,0|2,0,1]=4 1828 B7R1.2 O=C1CC(I)CC1 Amb22001809 [0,0,0,1,0,0|2,0,1]=4 1829 B7R1.2 O=C1CCC(=O)[15NH]1 Amb22338306 [0,0,0,1,0,0|1,0,0]=2 1830 B7R1.2 O=C1CCC(Br)=C1 Amb23399816 [0,0,0,1,0,0|2,0,0]=3 1831 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [0,0,0,1,0,0|1,0,1]=3 1832 B7R1.2 O=C1CCC(Cl)=N1 Amb24712377 [0,0,0,1,0,0|2,0,0]=3 1833 B7R1.2 O=C1CCC(Cl)N1 Amb24689591 [0,0,0,1,0,0|2,0,1]=4 1834 B7R1.2 O=C1CCC(I)=C1 Amb25811714 [0,0,0,1,0,0|2,0,0]=3 1835 B7R1.2 O=C1CC[C@@H](Cl)O1 Amb24710047 [0,0,0,1,0,0|1,0,1]=3 1836 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [0,0,0,1,0,0|2,1,0]=4 1837 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,0,0,1,0,0|2,0,0]=3 1838 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [0,0,0,1,0,0|2,1,0]=4 1839 B7R1.2 O=C1COC(=S)N1 Amb17920585 [0,0,0,1,0,0|2,1,0]=4 1840 B7R1.2 O=C1COC(Cl)=N1 Amb24511416 [0,0,0,1,0,0|3,0,0]=4 1841 B7R1.2 O=C1CSC(=N)N1 Amb1397203 [0,0,0,1,0,0|3,0,0]=4 1842 B7R1.2 O=C1CSC(=N1)N Amb2455844 [0,0,0,1,0,0|3,0,0]=4 1843 B7R1.2 O=C1CSC(=N1)[S-] Amb2541926 [0,0,0,1,0,0|2,1,0]=4 1844 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,0,0,1,0,0|2,0,0]=3 1845 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [0,0,0,1,0,0|2,1,0]=4 1846 B7R1.2 O=C1NC(=O)C=S1 Amb25780722 [0,0,0,1,0,0|2,0,1]=4 1847 B7R1.2 O=C1NC(=O)NN1 Amb20660475 [0,0,0,1,0,0|3,0,0]=4 1848 B7R1.2 O=C1NCC(=O)S1 Amb22372196 [0,0,0,1,0,0|1,1,0]=3 1849 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [0,0,0,1,0,0|3,0,0]=4 1850 B7R1.2 O=C1OC=C(C1)O Amb17621628 [0,0,0,1,0,0|2,0,1]=4 1851 B7R1.2 O=C1OCC(=O)N1 Amb1625991 [0,0,0,1,0,0|2,0,0]=3 1852 B7R1.2 O=C1OCC(I)O1 Amb25681787 [0,0,0,1,0,0|2,0,1]=4 1853 B7R1.2 O=C1SCC(=O)N1 Amb1853667 [0,0,0,1,0,0|2,0,0]=3 1854 B7R1.2 O=C1[13CH]=[13CH]C(=O)O1 Amb22353372 [0,0,0,1,0,0|0,0,2]=3 1855 B7R1.2 O=C1[14CH2][14CH2]C(=O)O1 Amb22729170 [0,0,0,1,0,0|0,0,0]=1 1856 B7R1.2 O=C1[15NH][13CH2]C(=O)N1 Amb17615001 [0,0,0,1,0,0|2,0,0]=3 1857 B7R1.2 O=C1[15NH][13CH2][13C](=O)N1 Amb17615000 [0,0,0,1,0,0|2,0,0]=3 1858 B7R1.2 O=[13C]1C=C[13C](=O)O1 Amb22367373 [0,0,0,1,0,0|0,0,2]=3 1859 B7R1.2 O=[13C]1CC[13C](=O)O1 Amb20243426 [0,0,0,1,0,0|0,0,0]=1 1860 B7R1.2 O=[13C]1[13CH2][13CH2][13C](=O)O1 Amb22056174 [0,0,0,1,0,0|0,0,0]=1 1861 B7R1.2 O=[13C]1[13CH]=[13CH][13C](=O)O1 Amb22055653 [0,0,0,1,0,0|0,0,2]=3 1862 B7R1.2 OC1CC(=O)CC1 Amb22057378 [0,0,0,1,0,0|1,0,1]=3 1863 B7R1.2 OC1CCC(=O)N1 Amb21963236 [0,0,0,1,0,0|1,0,1]=3 1864 B7R1.2 OC1CCC(=O)O1 Amb22740957 [0,0,0,1,0,0|0,0,2]=3 1865 B7R1.2 OC1CCC(Cl)=C1 Amb24661186 [0,0,0,1,0,0|2,0,1]=4 1866 B7R1.2 OC1CNC(=O)C1 Amb19958404 [0,0,0,1,0,0|2,0,1]=4 1867 B7R1.2 OC1COC(=O)N1 Amb24428770 [0,0,0,1,0,0|2,0,1]=4 1868 B7R1.2 OC=1C=CC(=O)N1 Amb22552540 [0,0,0,1,0,0|1,0,2]=4 1869 B7R1.2 OC=1CNC(=O)C1 Amb20623530 [0,0,0,1,0,0|2,0,0]=3 1870 B7R1.2 OC=1CNC(=S)C1 Amb25025419 [0,0,0,1,0,0|2,1,0]=4 1871 B7R1.2 OC=1CSC(=S)C1 Amb25180779 [0,0,0,1,0,0|2,1,0]=4 1872 B7R1.2 O[C@@H]1CC(=O)NC1 Amb15691722 [0,0,0,1,0,0|2,0,1]=4 1873 B7R1.2 O[C@H]1CCC(Br)=C1 Amb24479014 [0,0,0,1,0,0|2,0,1]=4 1874 B7R1.2 S=C1CCC(=S)N1 Amb24479225 [0,0,0,1,0,0|1,2,0]=4 1875 B7R1.2 S=C1CSC(=O)N1 Amb2469502 [0,0,0,1,0,0|2,1,0]=4 1876 B7R1.3 C1SC=CNC1=O Amb2386683 [0,0,0,1,0,0|3,0,0]=4 1877 B7R1.3 NC1=CCC=CO1 Amb24351196 [0,0,0,1,0,0|2,0,1]=4 1878 B7R1.3 O=C1C=CC=CO1 Amb21951679 [0,0,0,1,0,0|1,0,2]=4 1879 B7R1.3 O=C1CC=CCC1 Amb22365196 [0,0,0,1,0,0|2,0,0]=3 1880 B7R1.3 O=C1CC=CCN1 Amb24697654 [0,0,0,1,0,0|2,0,1]=4 1881 B7R1.3 O=C1CC=CNC1 Amb25190066 [0,0,0,1,0,0|2,0,1]=4 1882 B7R1.3 O=C1CCCC=C1 Amb17843126 [0,0,0,1,0,0|2,0,1]=4 1883 B7R1.3 O=C1CCCCS1 Amb25186924 [0,0,0,1,0,0|1,1,1]=4 1884 B7R1.3 O=C1CCCNC1 Amb10070944 [0,0,0,1,0,0|2,0,1]=4 1885 B7R1.3 O=C1CCCNC1 Amb10602349 [0,0,0,1,0,0|2,0,1]=4 1886 B7R1.3 O=C1CCCNN1 Amb18061622 [0,0,0,1,0,0|2,0,1]=4 1887 B7R1.3 O=C1CCCSC1 Amb13952257 [0,0,0,1,0,0|1,1,1]=4 1888 B7R1.3 O=C1CCOC=C1 Amb22000873 [0,0,0,1,0,0|3,0,0]=4 1889 B7R1.3 O=C1CCSC=C1 Amb25375022 [0,0,0,1,0,0|3,0,0]=4 1890 B7R1.3 O=C1CCSCC1 Amb1154265 [0,0,0,1,0,0|3,0,0]=4 1891 B7R1.3 O=C1CCSCN1 Amb24479868 [0,0,0,1,0,0|3,0,0]=4 1892 B7R1.3 O=C1CN=CN=C1 Amb24093715 [0,0,0,1,0,0|3,0,0]=4 1893 B7R1.3 O=C1CNCCC1 Amb19958010 [0,0,0,1,0,0|2,0,1]=4 1894 B7R1.3 O=C1CNCCO1 Amb19958702 [0,0,0,1,0,0|2,0,1]=4 1895 B7R1.3 O=C1COCCC1 Amb19373430 [0,0,0,1,0,0|1,0,2]=4 1896 B7R1.3 O=C1COCCO1 Amb17933352 [0,0,0,1,0,0|2,0,1]=4 1897 B7R1.3 O=C1CSSCC1 Amb25718327 [0,0,0,1,0,0|2,1,0]=4 1898 B7R1.3 O=C1NCC=NN1 Amb25806617 [0,0,0,1,0,0|3,0,0]=4 1899 B7R1.3 O=C1NCCCO1 Amb10608499 [0,0,0,1,0,0|2,0,1]=4 1900 B7R1.3 O=[13C]1CCCCC1 Amb22367406 [0,0,0,1,0,0|2,0,1]=4 1901 B7R1.3 OC1CC=CCC1 Amb24089165 [0,0,0,1,0,0|2,0,1]=4 1902 B7R1.3 OC=1CCN=NC1 Amb22756935 [0,0,0,1,0,0|3,0,0]=4 1903 B7R1.3 OC=1CNC=CC1 Amb24744451 [0,0,0,1,0,0|3,0,0]=4 1904 B7R1.3 OC=1NC=CCN1 Amb25833119 [0,0,0,1,0,0|3,0,0]=4 1905 B7R1.5 C=C1C[C@@H]1CC=O Amb24574015 [0,0,0,1,0,0|2,0,0]=3 1906 B7R1.5 C=C1C[C@H]1CC=O Amb25326113 [0,0,0,1,0,0|2,0,0]=3 1907 B7R1.5 C=CC[C@@H]1C[C@H]1O Amb25215350 [0,0,0,1,0,0|2,0,1]=4 1908 B7R1.5 CC1CC1CC=O Amb25737156 [0,0,0,1,0,0|2,0,1]=4 1909 B7R1.7 C=CCC[C@H]1CO1 Amb24429350 [0,0,0,1,0,0|2,0,1]=4 1910 B7R1.7 O=CCCC1CC1 Amb21864768 [0,0,0,1,0,0|2,0,1]=4 1911 B7R1.7 O=CCCC1CO1 Amb25054703 [0,0,0,1,0,0|1,0,1]=3 1912 B7R1.7 O=COCC1CO1 Amb24632689 [0,0,0,1,0,0|2,0,1]=4 1913 B7R1.10 C#C[C@@H]1CC(=O)N1 Amb24350194 [0,0,0,1,0,0|2,0,1]=4 1914 B7R1.10 C=C1CC(C1)C=O Amb22896623 [0,0,0,1,0,0|2,0,0]=3 1915 B7R1.10 C=CC1CC(O)C1 Amb25746805 [0,0,0,1,0,0|2,0,1]=4 1916 B7R1.10 C=C[C@H]1CC(=O)N1 Amb24383478 [0,0,0,1,0,0|2,0,0]=3 1917 B7R1.10 CCC1CC(=O)C1 Amb24406738 [0,0,0,1,0,0|2,0,1]=4 1918 B7R1.10 CC[C@H]1CC(=O)N1 Amb24479784 [0,0,0,1,0,0|2,0,1]=4 1919 B7R1.10 COC1CC(=O)C1 Amb22754340 [0,0,0,1,0,0|3,0,0]=4 1920 B7R1.10 CSC1CC(=O)N1 Amb25265230 [0,0,0,1,0,0|3,0,0]=4 1921 B7R1.10 ClCC1CC(=O)C1 Amb10610581 [0,0,0,1,0,0|2,0,1]=4 1922 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [0,0,0,1,0,0|2,0,1]=4 1923 B7R1.10 NCC1CC(=O)C1 Amb18251063 [0,0,0,1,0,0|2,0,1]=4 1924 B7R1.10 NCC1CC(=O)C1 Amb22406094 [0,0,0,1,0,0|2,0,1]=4 1925 B7R1.10 NCC1CC(=O)N1 Amb25230632 [0,0,0,1,0,0|2,0,1]=4 1926 B7R1.10 NC[C@@H]1CC(=O)N1 Amb24120375 [0,0,0,1,0,0|2,0,1]=4 1927 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [0,0,0,1,0,0|2,0,1]=4 1928 B7R1.10 O=C1CC(CBr)N1 Amb25779168 [0,0,0,1,0,0|2,0,1]=4 1929 B7R1.10 O=C1CC(CI)O1 Amb25169535 [0,0,0,1,0,0|1,0,1]=3 1930 B7R1.10 O=CC1CC(=O)N1 Amb24479772 [0,0,0,1,0,0|1,0,0]=2 1931 B7R1.10 OC1CN(C1)C=O Amb24479855 [0,0,0,1,0,0|2,0,1]=4 1932 B7R1.10 OCC1CC(=O)C1 Amb16231082 [0,0,0,1,0,0|1,0,2]=4 1933 B7R1.10 OCC1CC(=O)N1 Amb22388379 [0,0,0,1,0,0|1,0,2]=4 1934 B7R1.10 OCC1CC(=O)O1 Amb25706008 [0,0,0,1,0,0|0,0,2]=3 1935 B7R1.10 OC[C@@H]1CC(=O)N1 Amb24578924 [0,0,0,1,0,0|1,0,2]=4 1936 B7R1.10 OC[C@H]1CC(=O)O1 Amb25769462 [0,0,0,1,0,0|0,0,2]=3 1937 B7R1.12 C=C1C[C@@H]1C(O)=O Amb24683036 [0,0,0,1,0,0|1,0,0]=2 1938 B7R1.12 C=C1C[C@H]1C(O)=O Amb24368112 [0,0,0,1,0,0|1,0,0]=2 1939 B7R1.12 CC(=O)C1CC1Br Amb24426068 [0,0,0,1,0,0|2,0,1]=4 1940 B7R1.12 CC(=O)C1CC1Cl Amb25321894 [0,0,0,1,0,0|2,0,1]=4 1941 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Br Amb25745820 [0,0,0,1,0,0|2,0,1]=4 1942 B7R1.12 CC(=O)[C@@H]1C[C@@H]1Cl Amb24595358 [0,0,0,1,0,0|2,0,1]=4 1943 B7R1.12 CC(=O)[C@@H]1C[C@H]1Br Amb25110221 [0,0,0,1,0,0|2,0,1]=4 1944 B7R1.12 CC(=O)[C@@H]1C[C@H]1Cl Amb25179033 [0,0,0,1,0,0|2,0,1]=4 1945 B7R1.12 CC1=CC1C(C)=O Amb24736062 [0,0,0,1,0,0|2,0,1]=4 1946 B7R1.12 CC1CC1C(C)=O Amb25720437 [0,0,0,1,0,0|2,0,1]=4 1947 B7R1.12 CC1OC1C(=O)O Amb17593088 [0,0,0,1,0,0|2,0,1]=4 1948 B7R1.12 C[C@@H]1C[C@@H]1C(C)=O Amb24670522 [0,0,0,1,0,0|2,0,1]=4 1949 B7R1.12 C[C@@H]1C[C@@H]1C(N)=O Amb25745425 [0,0,0,1,0,0|2,0,1]=4 1950 B7R1.12 C[C@@H]1C[C@@H]1C(O)=O Amb25851678 [0,0,0,1,0,0|1,0,1]=3 1951 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [0,0,0,1,0,0|2,0,1]=4 1952 B7R1.12 C[C@@H]1C[C@H]1C(O)=O Amb22735875 [0,0,0,1,0,0|1,0,1]=3 1953 B7R1.12 C[C@@H]1N[C@H]1C(O)=O Amb24120621 [0,0,0,1,0,0|2,0,1]=4 1954 B7R1.12 C[C@@H]1O[C@H]1C(O)=O Amb25738149 [0,0,0,1,0,0|2,0,1]=4 1955 B7R1.12 C[C@H]1C[C@@H]1C(O)=O Amb22735974 [0,0,0,1,0,0|1,0,1]=3 1956 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [0,0,0,1,0,0|1,0,1]=3 1957 B7R1.12 C[C@H]1C[C@H]1C(C)=O Amb25236374 [0,0,0,1,0,0|2,0,1]=4 1958 B7R1.12 NC(=O)[C@@H]1C[C@@H]1Br Amb24519223 [0,0,0,1,0,0|2,0,1]=4 1959 B7R1.12 NC1CC1C(N)=O Amb18279694 [0,0,0,1,0,0|2,0,1]=4 1960 B7R1.12 N[C@@H]1C[C@@H]1C(O)=O Amb25708637 [0,0,0,1,0,0|1,0,1]=3 1961 B7R1.12 N[C@@H]1C[C@H]1C(=O)O Amb2372566 [0,0,0,1,0,0|1,0,1]=3 1962 B7R1.12 N[C@H]1C[C@@H]1C(O)=O Amb25204284 [0,0,0,1,0,0|1,0,1]=3 1963 B7R1.12 O=C(Cl)[C@@H]1C[C@H]1Cl Amb25320863 [0,0,0,1,0,0|2,0,1]=4 1964 B7R1.12 O=C(Cl)[C@@H]1C[C@H]1F Amb24403332 [0,0,0,1,0,0|2,0,1]=4 1965 B7R1.12 O=C(Cl)[C@H]1C[C@@H]1F Amb22224871 [0,0,0,1,0,0|2,0,1]=4 1966 B7R1.12 OC(=O)C1CC1F Amb22490547 [0,0,0,1,0,0|1,0,1]=3 1967 B7R1.12 OC(=O)C1CC1S Amb20246988 [0,0,0,1,0,0|0,1,1]=3 1968 B7R1.12 OC(=O)[C@@H]1C[C@@H]1Cl Amb25209184 [0,0,0,1,0,0|1,0,1]=3 1969 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F Amb22737600 [0,0,0,1,0,0|1,0,1]=3 1970 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I Amb22756600 [0,0,0,1,0,0|1,0,1]=3 1971 B7R1.12 OC(=O)[C@@H]1C[C@H]1Br Amb24570997 [0,0,0,1,0,0|1,0,1]=3 1972 B7R1.12 OC(=O)[C@@H]1C[C@H]1F Amb22737604 [0,0,0,1,0,0|1,0,1]=3 1973 B7R1.12 OC(=O)[C@H]1C[C@@H]1F Amb22736113 [0,0,0,1,0,0|1,0,1]=3 1974 B7R1.12 OC(=O)[C@H]1C[C@H]1F Amb22738580 [0,0,0,1,0,0|1,0,1]=3 1975 B7R1.12 OC(=O)[C@H]1C[C@H]1I Amb22736654 [0,0,0,1,0,0|1,0,1]=3 1976 B7R1.12 OC1CC1C(O)=O Amb24360896 [0,0,0,1,0,0|0,0,2]=3 1977 B7R1.14 O=S1(=O)CCC=C1 Amb1099221 [0,0,0,1,0,0|2,0,1]=4 1978 B7R1.14 O=S1(=O)CCC=C1 Amb23496206 [0,0,0,1,0,0|2,0,1]=4 1979 B7R1.14 O=S1(=O)CCC=N1 Amb21964374 [0,0,0,1,0,0|2,0,1]=4 1980 B7R1.14 [O-][S+]1(=O)CCC=C1 Amb10238597 [0,0,0,1,0,0|2,0,1]=4 1981 B7R1.17 CC1(O)CNC1=O Amb24560284 [0,0,0,1,0,0|2,0,1]=4 1982 B7R1.18 CC(=O)C1CC=C1 Amb25807635 [0,0,0,1,0,0|2,0,0]=3 1983 B7R1.18 CC(=O)C1CCO1 Amb25745997 [0,0,0,1,0,0|1,0,2]=4 1984 B7R1.18 CC(=O)C1CCS1 Amb24105980 [0,0,0,1,0,0|1,1,1]=4 1985 B7R1.18 CC(=O)C1CNC1 Amb23400009 [0,0,0,1,0,0|3,0,0]=4 1986 B7R1.18 CC(=O)C1CNC1 Amb23401240 [0,0,0,1,0,0|3,0,0]=4 1987 B7R1.18 CC(=O)N1CC=C1 Amb22001815 [0,0,0,1,0,0|3,0,0]=4 1988 B7R1.18 NC(=O)C1CCN1 Amb22230240 [0,0,0,1,0,0|2,0,1]=4 1989 B7R1.18 NC(=O)C1CCN1 Amb22491865 [0,0,0,1,0,0|2,0,1]=4 1990 B7R1.18 NC(=O)C1CCO1 Amb24478900 [0,0,0,1,0,0|1,0,2]=4 1991 B7R1.18 NC(=O)C1CNC1 Amb10976072 [0,0,0,1,0,0|3,0,0]=4 1992 B7R1.18 NC(=O)C1CNC1 Amb20061301 [0,0,0,1,0,0|3,0,0]=4 1993 B7R1.18 NC(=O)C1CNC1 Amb21960249 [0,0,0,1,0,0|3,0,0]=4 1994 B7R1.18 O=C(Cl)C1COC1 Amb25201101 [0,0,0,1,0,0|3,0,0]=4 1995 B7R1.18 OC(=O)C1=CCC1 Amb17593068 [0,0,0,1,0,0|1,0,2]=4 1996 B7R1.18 OC(=O)C1CCN1 Amb2371568 [0,0,0,1,0,0|1,0,1]=3 1997 B7R1.18 OC(=O)C1CCO1 Amb2383526 [0,0,0,1,0,0|0,0,2]=3 1998 B7R1.18 OC(=O)C1CNC1 Amb2444164 [0,0,0,1,0,0|2,0,0]=3 1999 B7R1.18 OC(=O)C1CSC1 Amb20171470 [0,0,0,1,0,0|2,0,0]=3 2000 B7R1.18 OP(=O)C1CNC1 Amb25212879 [0,0,0,1,0,0|3,0,0]=4 2001 B7R1.20 CC(=O)CC1CC1 Amb10603417 [0,0,0,1,0,0|2,0,1]=4 2002 B7R1.20 CC(=O)CC1CO1 Amb25718439 [0,0,0,1,0,0|1,0,2]=4 2003 B7R1.20 NC(=O)CC1CO1 Amb24654802 [0,0,0,1,0,0|1,0,2]=4 2004 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [0,0,0,1,0,0|2,0,1]=4 2005 B7R1.20 OC(=O)CC1CO1 Amb25244347 [0,0,0,1,0,0|0,0,2]=3 2006 B7R1.23 CC1(Br)CC1C=O Amb25679179 [0,0,0,1,0,0|2,0,1]=4 2007 B7R1.23 O=CC1CC1(Cl)Cl Amb25187914 [0,0,0,1,0,0|2,0,1]=4 2008 B7R1.23 O=CC1CC1(F)F Amb22002395 [0,0,0,1,0,0|2,0,1]=4 2009 B4R0.1 BC(=O)OC Amb22337865 [2,0,0,0,0,0|2,0,0]=4 2010 B4R0.1 BC(=O)OC Amb25199772 [2,0,0,0,0,0|2,0,0]=4 2011 B4R0.1 BCC(C)=O Amb25024392 [2,0,0,0,0,0|2,0,0]=4 2012 B4R0.1 C=C(I)C=O Amb25747223 [2,0,0,0,0,0|2,0,0]=4 2013 B4R0.1 C=CC(N)=O Amb22167336 [2,0,0,0,0,0|1,0,1]=4 2014 B4R0.1 C=CC(N)=O Amb22351294 [2,0,0,0,0,0|1,0,1]=4 2015 B4R0.1 C=CC(O)=O Amb22227738 [2,0,0,0,0,0|0,0,1]=3 2016 B4R0.1 C=CC(O)=O Amb22336305 [2,0,0,0,0,0|0,0,1]=3 2017 B4R0.1 C=CC(O)=O Amb22338581 [2,0,0,0,0,0|0,0,1]=3 2018 B4R0.1 C=CC(O)=O Amb22351186 [2,0,0,0,0,0|0,0,1]=3 2019 B4R0.1 C=CC(O)=O Amb22351399 [2,0,0,0,0,0|0,0,1]=3 2020 B4R0.1 C=CC(O)=O Amb22363130 [2,0,0,0,0,0|0,0,1]=3 2021 B4R0.1 C=CC([O-])=O Amb22045810 [2,0,0,0,0,0|0,0,2]=4 2022 B4R0.1 C=CC([O-])=O Amb22045811 [2,0,0,0,0,0|0,0,2]=4 2023 B4R0.1 C=CC([O-])=O Amb22045848 [2,0,0,0,0,0|0,0,2]=4 2024 B4R0.1 C=CC([O-])=O Amb22045849 [2,0,0,0,0,0|0,0,2]=4 2025 B4R0.1 C=CC([O-])=O Amb22045850 [2,0,0,0,0,0|0,0,2]=4 2026 B4R0.1 C=CC([O-])=O Amb22054122 [2,0,0,0,0,0|0,0,2]=4 2027 B4R0.1 C=CC([O-])=O Amb22167662 [2,0,0,0,0,0|0,0,2]=4 2028 B4R0.1 C=CC([O-])=O Amb22229631 [2,0,0,0,0,0|0,0,2]=4 2029 B4R0.1 C=CC([O-])=O Amb22336408 [2,0,0,0,0,0|0,0,2]=4 2030 B4R0.1 C=CC([O-])=O Amb22366873 [2,0,0,0,0,0|0,0,2]=4 2031 B4R0.1 C=CC([O-])=O Amb22731093 [2,0,0,0,0,0|0,0,2]=4 2032 B4R0.1 C=CC([O-])=O Amb22732585 [2,0,0,0,0,0|0,0,2]=4 2033 B4R0.1 C=CC([O-])=O Amb22733713 [2,0,0,0,0,0|0,0,2]=4 2034 B4R0.1 C=C[13C](N)=O Amb22350706 [2,0,0,0,0,0|1,0,1]=4 2035 B4R0.1 C=C[13C](O)=O Amb22351199 [2,0,0,0,0,0|0,0,1]=3 2036 B4R0.1 C=NC(N)=O Amb25267386 [2,0,0,0,0,0|2,0,0]=4 2037 B4R0.1 CC(=C)[13CH]=O Amb22055667 [2,0,0,0,0,0|2,0,0]=4 2038 B4R0.1 CC(=O)CI Amb22831972 [2,0,0,0,0,0|2,0,0]=4 2039 B4R0.1 CC(=O)CN Amb10603379 [2,0,0,0,0,0|2,0,0]=4 2040 B4R0.1 CC(=O)CN Amb22489444 [2,0,0,0,0,0|2,0,0]=4 2041 B4R0.1 CC(=O)CO Amb2404925 [2,0,0,0,0,0|1,0,1]=4 2042 B4R0.1 CC(=O)CS Amb19148935 [2,0,0,0,0,0|1,1,0]=4 2043 B4R0.1 CC(=O)N=O Amb25745528 [2,0,0,0,0,0|2,0,0]=4 2044 B4R0.1 CC(=S)C=O Amb24477343 [2,0,0,0,0,0|1,1,0]=4 2045 B4R0.1 CC(O)C=O Amb24477285 [2,0,0,0,0,0|1,0,1]=4 2046 B4R0.1 CCC(=C)Br Amb22052658 [2,0,0,0,0,0|2,0,0]=4 2047 B4R0.1 CCC(=C)C Amb10069004 [2,0,0,0,0,0|2,0,0]=4 2048 B4R0.1 CCC(=C)Cl Amb22228725 [2,0,0,0,0,0|2,0,0]=4 2049 B4R0.1 CCC(=C)O Amb22338693 [2,0,0,0,0,0|1,0,0]=3 2050 B4R0.1 CCC(=O)Cl Amb22338551 [2,0,0,0,0,0|1,0,0]=3 2051 B4R0.1 CCC(=O)F Amb10839798 [2,0,0,0,0,0|1,0,0]=3 2052 B4R0.1 CCC(=S)N Amb1114671 [2,0,0,0,0,0|1,1,0]=4 2053 B4R0.1 CCC(N)O Amb25076743 [2,0,0,0,0,0|1,0,1]=4 2054 B4R0.1 CCC(O)=O Amb22363268 [2,0,0,0,0,0|0,0,0]=2 2055 B4R0.1 CCC(O)Br Amb25045070 [2,0,0,0,0,0|1,0,1]=4 2056 B4R0.1 CCC(O)Cl Amb24390895 [2,0,0,0,0,0|1,0,1]=4 2057 B4R0.1 CCC(O)S Amb25057963 [2,0,0,0,0,0|0,1,1]=4 2058 B4R0.1 CCC(S)=S Amb25219037 [2,0,0,0,0,0|0,2,0]=4 2059 B4R0.1 CCC([O-])=O Amb17942918 [2,0,0,0,0,0|0,0,1]=3 2060 B4R0.1 CCC([O-])=O Amb22043363 [2,0,0,0,0,0|0,0,1]=3 2061 B4R0.1 CCC([O-])=O Amb22053980 [2,0,0,0,0,0|0,0,1]=3 2062 B4R0.1 CCC([O-])=O Amb22353324 [2,0,0,0,0,0|0,0,1]=3 2063 B4R0.1 CCC([O-])=O Amb22730265 [2,0,0,0,0,0|0,0,1]=3 2064 B4R0.1 CCC([O-])=O Amb22731204 [2,0,0,0,0,0|0,0,1]=3 2065 B4R0.1 CCC([O-])=O Amb22732964 [2,0,0,0,0,0|0,0,1]=3 2066 B4R0.1 CCC([O-])=O Amb22733966 [2,0,0,0,0,0|0,0,1]=3 2067 B4R0.1 CCI(=O)=O Amb25809920 [2,0,0,0,0,0|1,0,1]=4 2068 B4R0.1 CCN(C)O Amb25746619 [2,0,0,0,0,0|2,0,0]=4 2069 B4R0.1 CCS(=O)Cl Amb24647938 [2,0,0,0,0,0|2,0,0]=4 2070 B4R0.1 CCS(C)=O Amb25301908 [2,0,0,0,0,0|2,0,0]=4 2071 B4R0.1 CCS(N)=O Amb24734600 [2,0,0,0,0,0|2,0,0]=4 2072 B4R0.1 CCS(O)=O Amb24332177 [2,0,0,0,0,0|1,0,0]=3 2073 B4R0.1 CCS([O-])=O Amb17943109 [2,0,0,0,0,0|1,0,1]=4 2074 B4R0.1 CCS([O-])=O Amb22411287 [2,0,0,0,0,0|1,0,1]=4 2075 B4R0.1 CC[13C](O)=O Amb22336570 [2,0,0,0,0,0|0,0,0]=2 2076 B4R0.1 CC[13C](O)=O Amb22732548 [2,0,0,0,0,0|0,0,0]=2 2077 B4R0.1 CC[13C]([O-])=O Amb22363364 [2,0,0,0,0,0|0,0,1]=3 2078 B4R0.1 CC[C@@H](N)O Amb25824305 [2,0,0,0,0,0|1,0,1]=4 2079 B4R0.1 CNC(=O)Br Amb25764660 [2,0,0,0,0,0|2,0,0]=4 2080 B4R0.1 CNC(=O)N Amb1152075 [2,0,0,0,0,0|2,0,0]=4 2081 B4R0.1 CNC(Cl)=O Amb17942998 [2,0,0,0,0,0|2,0,0]=4 2082 B4R0.1 CNC(N)=O Amb22899158 [2,0,0,0,0,0|2,0,0]=4 2083 B4R0.1 CNC(O)=S Amb25747283 [2,0,0,0,0,0|1,1,0]=4 2084 B4R0.1 COC([O-])=O Amb22731820 [2,0,0,0,0,0|1,0,1]=4 2085 B4R0.1 COC([O-])=O Amb25688001 [2,0,0,0,0,0|1,0,1]=4 2086 B4R0.1 CSC(=O)Cl Amb22336225 [2,0,0,0,0,0|2,0,0]=4 2087 B4R0.1 CSC(C)=O Amb22043188 [2,0,0,0,0,0|2,0,0]=4 2088 B4R0.1 CSC(N)=O Amb25082577 [2,0,0,0,0,0|2,0,0]=4 2089 B4R0.1 C[13CH2]C([O-])=O Amb22368991 [2,0,0,0,0,0|0,0,1]=3 2090 B4R0.1 C[13CH2][13C]([O-])=O Amb22338749 [2,0,0,0,0,0|0,0,1]=3 2091 B4R0.1 C[C@@H](O)C=O Amb25745956 [2,0,0,0,0,0|1,0,1]=4 2092 B4R0.1 C[C@H](O)C=O Amb24452140 [2,0,0,0,0,0|1,0,1]=4 2093 B4R0.1 ClC(=O)C=C Amb17942845 [2,0,0,0,0,0|1,0,1]=4 2094 B4R0.1 FC(=O)CCl Amb10839258 [2,0,0,0,0,0|2,0,0]=4 2095 B4R0.1 FCC(=O)Cl Amb16185604 [2,0,0,0,0,0|2,0,0]=4 2096 B4R0.1 NC(=O)C=N Amb24460788 [2,0,0,0,0,0|2,0,0]=4 2097 B4R0.1 NC(=O)CCl Amb1933827 [2,0,0,0,0,0|2,0,0]=4 2098 B4R0.1 NC(=O)CCl Amb20620153 [2,0,0,0,0,0|2,0,0]=4 2099 B4R0.1 NC(=O)CN Amb22234569 [2,0,0,0,0,0|2,0,0]=4 2100 B4R0.1 NC(=O)CO Amb1804460 [2,0,0,0,0,0|1,0,1]=4 2101 B4R0.1 NCC(=O)N Amb10604177 [2,0,0,0,0,0|2,0,0]=4 2102 B4R0.1 NCC(=O)S Amb17593043 [2,0,0,0,0,0|1,1,0]=4 2103 B4R0.1 NCC(O)=O Amb22274145 [2,0,0,0,0,0|1,0,0]=3 2104 B4R0.1 NCC(O)=O Amb22731925 [2,0,0,0,0,0|1,0,0]=3 2105 B4R0.1 NCC([O-])=O Amb20240906 [2,0,0,0,0,0|1,0,1]=4 2106 B4R0.1 NCC([O-])=O Amb21962917 [2,0,0,0,0,0|1,0,1]=4 2107 B4R0.1 NCC([O-])=O Amb22167467 [2,0,0,0,0,0|1,0,1]=4 2108 B4R0.1 NCC([O-])=O Amb22167948 [2,0,0,0,0,0|1,0,1]=4 2109 B4R0.1 NCC([O-])=O Amb22336294 [2,0,0,0,0,0|1,0,1]=4 2110 B4R0.1 NCC([O-])=O Amb22493796 [2,0,0,0,0,0|1,0,1]=4 2111 B4R0.1 NCC([O-])=O Amb22729954 [2,0,0,0,0,0|1,0,1]=4 2112 B4R0.1 NCC([O-])=O Amb22729967 [2,0,0,0,0,0|1,0,1]=4 2113 B4R0.1 NCC([O-])=O Amb22733691 [2,0,0,0,0,0|1,0,1]=4 2114 B4R0.1 NC[13C](O)=O Amb22354047 [2,0,0,0,0,0|1,0,0]=3 2115 B4R0.1 N[13CH2]C(O)=O Amb22363299 [2,0,0,0,0,0|1,0,0]=3 2116 B4R0.1 N[13CH2][13C](O)=O Amb22351252 [2,0,0,0,0,0|1,0,0]=3 2117 B4R0.1 O=C(Cl)CI Amb22045163 [2,0,0,0,0,0|2,0,0]=4 2118 B4R0.1 O=C(F)CF Amb24476837 [2,0,0,0,0,0|2,0,0]=4 2119 B4R0.1 O=C(P)CCl Amb24377624 [2,0,0,0,0,0|2,0,0]=4 2120 B4R0.1 O=CC(=O)S Amb24505852 [2,0,0,0,0,0|0,1,0]=3 2121 B4R0.1 OC(=O)CI Amb1916034 [2,0,0,0,0,0|1,0,0]=3 2122 B4R0.1 OC(=O)CI Amb22274295 [2,0,0,0,0,0|1,0,0]=3 2123 B4R0.1 OC(=O)CI Amb22353096 [2,0,0,0,0,0|1,0,0]=3 2124 B4R0.1 OC(=O)CO Amb22338156 [2,0,0,0,0,0|0,0,1]=3 2125 B4R0.1 OC(=O)CP Amb24476887 [2,0,0,0,0,0|1,0,0]=3 2126 B4R0.1 OC(=O)CS Amb22360787 [2,0,0,0,0,0|0,1,0]=3 2127 B4R0.1 OC(=O)CS Amb24323537 [2,0,0,0,0,0|0,1,0]=3 2128 B4R0.1 OC(=O)O[Na] Amb22411585 [2,0,0,0,0,0|2,0,0]=4 2129 B4R0.1 OC(=O)[13CH2]Br Amb22363172 [2,0,0,0,0,0|1,0,0]=3 2130 B4R0.1 OC(=O)[13CH2]Cl Amb22351601 [2,0,0,0,0,0|1,0,0]=3 2131 B4R0.1 OC(=O)[13CH2]I Amb22367368 [2,0,0,0,0,0|1,0,0]=3 2132 B4R0.1 OC(=S)CCl Amb25064312 [2,0,0,0,0,0|1,1,0]=4 2133 B4R0.1 OC(=[18O])CBr Amb22367291 [2,0,0,0,0,0|1,0,0]=3 2134 B4R0.1 OC(Cl)C=O Amb25700927 [2,0,0,0,0,0|1,0,1]=4 2135 B4R0.1 OCC(=O)Cl Amb25121296 [2,0,0,0,0,0|1,0,1]=4 2136 B4R0.1 OCC(O)=S Amb25245907 [2,0,0,0,0,0|0,1,1]=4 2137 B4R0.1 OCP(=O)O Amb1981423 [2,0,0,0,0,0|1,0,1]=4 2138 B4R0.1 O[13CH2][13C](O)=O Amb22055344 [2,0,0,0,0,0|0,0,1]=3 2139 B4R0.1 O[13C](=O)CBr Amb22351346 [2,0,0,0,0,0|1,0,0]=3 2140 B4R0.1 O[13C](=O)CCl Amb22351545 [2,0,0,0,0,0|1,0,0]=3 2141 B4R0.1 O[13C](=O)CI Amb22367367 [2,0,0,0,0,0|1,0,0]=3 2142 B4R0.1 O[13C](=O)[13CH2]Br Amb22351322 [2,0,0,0,0,0|1,0,0]=3 2143 B4R0.1 O[13C](=O)[13CH2]Cl Amb17610796 [2,0,0,0,0,0|1,0,0]=3 2144 B4R0.1 O[13C](=O)[13CH2]I Amb22367449 [2,0,0,0,0,0|1,0,0]=3 2145 B4R0.1 O[13C](=O)[13CH]=O Amb22055361 [2,0,0,0,0,0|0,0,0]=2 2146 B4R0.1 O[13C](=O)[13CH]=[13CH2] Amb17607705 [2,0,0,0,0,0|0,0,1]=3 2147 B4R0.1 O[13C](=[18O])CBr Amb22337237 [2,0,0,0,0,0|1,0,0]=3 2148 B4R0.1 O[14C](=O)CBr Amb22731740 [2,0,0,0,0,0|1,0,0]=3 2149 B4R0.1 O[14C](=O)O[Na] Amb22350243 [2,0,0,0,0,0|2,0,0]=4 2150 B4R0.1 [13CH2]=[13CH][13C](N)=O Amb22367442 [2,0,0,0,0,0|1,0,1]=4 2151 B4R0.1 [13CH3]CC([O-])=O Amb22336277 [2,0,0,0,0,0|0,0,1]=3 2152 B4R0.1 [13CH3][13CH2]C(O)=O Amb22337241 [2,0,0,0,0,0|0,0,0]=2 2153 B4R0.1 [13CH3][13CH2][13C](O)=O Amb22367502 [2,0,0,0,0,0|0,0,0]=2 2154 B4R0.1 [15NH2]C(=O)CI Amb22367467 [2,0,0,0,0,0|2,0,0]=4 2155 B4R0.1 [15NH2]CC(O)=O Amb22337980 [2,0,0,0,0,0|1,0,0]=3 2156 B4R0.1 [15NH2]C[13C](O)=O Amb22367030 [2,0,0,0,0,0|1,0,0]=3 2157 B4R0.1 [15NH2][13CH2]C(O)=O Amb22353332 [2,0,0,0,0,0|1,0,0]=3 2158 B4R0.1 [15NH2][13CH2][13C](O)=O Amb22055358 [2,0,0,0,0,0|1,0,0]=3 2159 B4R0.1 [O-]C(=O)C=C Amb17942810 [2,0,0,0,0,0|0,0,2]=4 2160 B4R0.1 [O-]C(=O)C=O Amb22349677 [2,0,0,0,0,0|0,0,1]=3 2161 B4R0.1 [O-]C(=O)C=O Amb22359884 [2,0,0,0,0,0|0,0,1]=3 2162 B4R0.1 [O-]C(=O)CBr Amb22049507 [2,0,0,0,0,0|1,0,1]=4 2163 B4R0.1 [O-]C(=O)CC Amb10844614 [2,0,0,0,0,0|0,0,1]=3 2164 B4R0.1 [O-]C(=O)CCl Amb22330602 [2,0,0,0,0,0|1,0,1]=4 2165 B4R0.1 [O-]C(=O)CF Amb10840933 [2,0,0,0,0,0|1,0,1]=4 2166 B4R0.1 [O-]C(=O)CF Amb22230760 [2,0,0,0,0,0|1,0,1]=4 2167 B4R0.1 [O-]C(=O)CF Amb22730747 [2,0,0,0,0,0|1,0,1]=4 2168 B4R0.1 [O-]C(=O)CI Amb22229643 [2,0,0,0,0,0|1,0,1]=4 2169 B4R0.1 [O-]C(=O)CO Amb22045509 [2,0,0,0,0,0|0,0,2]=4 2170 B4R0.1 [O-]C(=O)CO Amb22730982 [2,0,0,0,0,0|0,0,2]=4 2171 B4R0.1 [O-]CC([O-])=O Amb22739620 [2,0,0,0,0,0|0,0,2]=4 2172 B4R0.1 [O-]S(=O)C=O Amb22043269 [2,0,0,0,0,0|1,0,1]=4 2173 B4R0.2 C#CCC=O Amb25681696 [2,0,0,0,0,0|0,0,2]=4 2174 B4R0.2 C=C=C=CO Amb25739840 [2,0,0,0,0,0|0,0,2]=4 2175 B4R0.2 C=C=CC=O Amb25662437 [2,0,0,0,0,0|0,0,2]=4 2176 B4R0.2 C=CCC=O Amb25058716 [2,0,0,0,0,0|0,0,1]=3 2177 B4R0.2 C=CCCCl Amb22229725 [2,0,0,0,0,0|2,0,0]=4 2178 B4R0.2 C=CCCI Amb24079603 [2,0,0,0,0,0|2,0,0]=4 2179 B4R0.2 C=CCCS Amb24117955 [2,0,0,0,0,0|1,1,0]=4 2180 B4R0.2 C=CNC=O Amb10844823 [2,0,0,0,0,0|1,0,1]=4 2181 B4R0.2 C=COC=O Amb22734253 [2,0,0,0,0,0|1,0,1]=4 2182 B4R0.2 CCCCO Amb22336484 [2,0,0,0,0,0|0,0,2]=4 2183 B4R0.2 CCCCO Amb22338139 [2,0,0,0,0,0|0,0,2]=4 2184 B4R0.2 CCCCO Amb22338167 [2,0,0,0,0,0|0,0,2]=4 2185 B4R0.2 CCCCO Amb22351678 [2,0,0,0,0,0|0,0,2]=4 2186 B4R0.2 CCCNO Amb20621997 [2,0,0,0,0,0|1,0,1]=4 2187 B4R0.2 CCCNO Amb24333131 [2,0,0,0,0,0|1,0,1]=4 2188 B4R0.2 CCNC=O Amb22229692 [2,0,0,0,0,0|1,0,1]=4 2189 B4R0.2 CCO[13CH]=O Amb22351501 [2,0,0,0,0,0|1,0,1]=4 2190 B4R0.2 COCCO Amb22338563 [2,0,0,0,0,0|2,0,0]=4 2191 B4R0.2 C\C=C/CO Amb24089436 [2,0,0,0,0,0|1,0,1]=4 2192 B4R0.2 ClCCC=O Amb16233605 [2,0,0,0,0,0|1,0,0]=3 2193 B4R0.2 Cl\C=C\C=O Amb17593041 [2,0,0,0,0,0|1,0,1]=4 2194 B4R0.2 NCCC=C Amb10601640 [2,0,0,0,0,0|2,0,0]=4 2195 B4R0.2 NCCC=O Amb24476871 [2,0,0,0,0,0|1,0,0]=3 2196 B4R0.2 NCCCO Amb22229163 [2,0,0,0,0,0|1,0,1]=4 2197 B4R0.2 NCCCO Amb22350557 [2,0,0,0,0,0|1,0,1]=4 2198 B4R0.2 NCCNO Amb24476856 [2,0,0,0,0,0|2,0,0]=4 2199 B4R0.2 NCCS=O Amb25826403 [2,0,0,0,0,0|2,0,0]=4 2200 B4R0.2 NNCC=O Amb24550561 [2,0,0,0,0,0|2,0,0]=4 2201 B4R0.2 NOCCO Amb17190317 [2,0,0,0,0,0|2,0,0]=4 2202 B4R0.2 NOCCO Amb22896795 [2,0,0,0,0,0|2,0,0]=4 2203 B4R0.2 NSCCO Amb25025533 [2,0,0,0,0,0|2,0,0]=4 2204 B4R0.2 N\C=C/C=O Amb25246630 [2,0,0,0,0,0|1,0,1]=4 2205 B4R0.2 N\C=C\C=O Amb24596377 [2,0,0,0,0,0|1,0,1]=4 2206 B4R0.2 O=CCCBr Amb18124460 [2,0,0,0,0,0|1,0,0]=3 2207 B4R0.2 O=CCCF Amb21858609 [2,0,0,0,0,0|1,0,0]=3 2208 B4R0.2 O=CCN=O Amb24477338 [2,0,0,0,0,0|1,0,0]=3 2209 B4R0.2 O=CNC=O Amb25721263 [2,0,0,0,0,0|1,0,0]=3 2210 B4R0.2 O=CNCCl Amb24613099 [2,0,0,0,0,0|2,0,0]=4 2211 B4R0.2 O=C\C=C/Cl Amb25222856 [2,0,0,0,0,0|1,0,1]=4 2212 B4R0.2 O=C\C=C/S Amb24477332 [2,0,0,0,0,0|0,1,1]=4 2213 B4R0.2 O=C\C=C\Br Amb24477124 [2,0,0,0,0,0|1,0,1]=4 2214 B4R0.2 O=C\C=C\I Amb24477297 [2,0,0,0,0,0|1,0,1]=4 2215 B4R0.2 O=C\C=C\P Amb24670391 [2,0,0,0,0,0|1,0,1]=4 2216 B4R0.2 O=C\C=C\S Amb24756696 [2,0,0,0,0,0|0,1,1]=4 2217 B4R0.2 O=NCCCl Amb25721260 [2,0,0,0,0,0|2,0,0]=4 2218 B4R0.2 OC=C=CO Amb24412119 [2,0,0,0,0,0|0,0,2]=4 2219 B4R0.2 OCCC=O Amb24412391 [2,0,0,0,0,0|0,0,0]=2 2220 B4R0.2 OCCCO Amb22369724 [2,0,0,0,0,0|0,0,2]=4 2221 B4R0.2 OCCCO Amb22733136 [2,0,0,0,0,0|0,0,2]=4 2222 B4R0.2 OCCNO Amb24477455 [2,0,0,0,0,0|1,0,1]=4 2223 B4R0.2 OCCNS Amb24478081 [2,0,0,0,0,0|1,1,0]=4 2224 B4R0.2 OCCSO Amb25840750 [2,0,0,0,0,0|1,0,1]=4 2225 B4R0.2 OCCSS Amb25058419 [2,0,0,0,0,0|1,1,0]=4 2226 B4R0.2 OCOC=O Amb25694134 [2,0,0,0,0,0|1,0,0]=3 2227 B4R0.2 OC[13CH2]CO Amb22338655 [2,0,0,0,0,0|0,0,2]=4 2228 B4R0.2 OC\C=C/I Amb23539305 [2,0,0,0,0,0|1,0,1]=4 2229 B4R0.2 OC\C=C\I Amb24642752 [2,0,0,0,0,0|1,0,1]=4 2230 B4R0.2 ON=CC=O Amb25746308 [2,0,0,0,0,0|1,0,1]=4 2231 B4R0.2 O[13CH2][13CH2][13CH2]Br Amb22338924 [2,0,0,0,0,0|1,0,1]=4 2232 B4R0.2 O\C=C/C=O Amb24567056 [2,0,0,0,0,0|0,0,1]=3 2233 B4R0.2 O\C=C/CCl Amb22338049 [2,0,0,0,0,0|1,0,1]=4 2234 B4R0.2 O\C=C\C=S Amb25057743 [2,0,0,0,0,0|0,1,1]=4 2235 B4R0.2 [13CH3]O[13CH2][13CH2]O Amb22337754 [2,0,0,0,0,0|2,0,0]=4 2236 B6R0.1 C=C(CCO)C=O Amb25278289 [1,1,0,0,0,0|1,0,1]=4 2237 B6R0.1 C=C(CCO)CO Amb25825219 [1,1,0,0,0,0|1,0,1]=4 2238 B6R0.1 C=C(CO)CCN Amb24426567 [1,1,0,0,0,0|2,0,0]=4 2239 B6R0.1 C=CC(=C)CC=O Amb18120478 [1,1,0,0,0,0|2,0,0]=4 2240 B6R0.1 C=CC(=O)CCCl Amb24446646 [1,1,0,0,0,0|2,0,0]=4 2241 B6R0.1 C=CC(=O)NC=O Amb24580359 [1,1,0,0,0,0|2,0,0]=4 2242 B6R0.1 C=CCC(=C)C=O Amb18120415 [1,1,0,0,0,0|1,0,1]=4 2243 B6R0.1 C=CCC(=C)CO Amb25854150 [1,1,0,0,0,0|1,0,1]=4 2244 B6R0.1 C=CCC(=O)CCl Amb25703593 [1,1,0,0,0,0|1,0,1]=4 2245 B6R0.1 C=CCC(=O)NN Amb24654386 [1,1,0,0,0,0|1,0,1]=4 2246 B6R0.1 C=CCC(O)C=O Amb25356720 [1,1,0,0,0,0|0,0,2]=4 2247 B6R0.1 C=CC[C@H](O)C=O Amb25813766 [1,1,0,0,0,0|0,0,2]=4 2248 B6R0.1 C=CNC(=O)NO Amb25339032 [1,1,0,0,0,0|1,0,1]=4 2249 B6R0.1 CC(CC=O)=C=C Amb24434894 [1,1,0,0,0,0|2,0,0]=4 2250 B6R0.1 CC(CC=O)C=O Amb18121376 [1,1,0,0,0,0|1,0,1]=4 2251 B6R0.1 CC(CO)CC=O Amb18639949 [1,1,0,0,0,0|1,0,1]=4 2252 B6R0.1 CC(OC)CC=O Amb17593089 [1,1,0,0,0,0|1,0,1]=4 2253 B6R0.1 CCC(=C)CC=O Amb24445213 [1,1,0,0,0,0|2,0,0]=4 2254 B6R0.1 CCC(=O)CC=O Amb24333311 [1,1,0,0,0,0|1,0,0]=3 2255 B6R0.1 CCC(=O)CCN Amb18202790 [1,1,0,0,0,0|2,0,0]=4 2256 B6R0.1 CCC(=O)CCS Amb24733984 [1,1,0,0,0,0|1,1,0]=4 2257 B6R0.1 CCC(=O)NC=O Amb24480668 [1,1,0,0,0,0|2,0,0]=4 2258 B6R0.1 CCCC(=C)C=O Amb18639170 [1,1,0,0,0,0|1,0,1]=4 2259 B6R0.1 CCCC(=N)NO Amb10069022 [1,1,0,0,0,0|1,0,1]=4 2260 B6R0.1 CCCC(=O)C#C Amb25696103 [1,1,0,0,0,0|1,0,1]=4 2261 B6R0.1 CCCC(=O)C=O Amb18639569 [1,1,0,0,0,0|0,0,2]=4 2262 B6R0.1 CCCC(=O)CBr Amb24433274 [1,1,0,0,0,0|1,0,1]=4 2263 B6R0.1 CCCC(=O)CCl Amb19372924 [1,1,0,0,0,0|1,0,1]=4 2264 B6R0.1 CCCC(=O)CF Amb25370812 [1,1,0,0,0,0|1,0,1]=4 2265 B6R0.1 CCCC(=O)CN Amb17593086 [1,1,0,0,0,0|1,0,1]=4 2266 B6R0.1 CCCC(=O)CO Amb25125092 [1,1,0,0,0,0|0,0,1]=3 2267 B6R0.1 CCCC(=O)CS Amb24631668 [1,1,0,0,0,0|0,1,1]=4 2268 B6R0.1 CCCC(=S)OC Amb22043317 [1,1,0,0,0,0|0,1,1]=4 2269 B6R0.1 CCCC(C)=NO Amb24693854 [1,1,0,0,0,0|1,0,1]=4 2270 B6R0.1 CCCC(O)C=O Amb24531721 [1,1,0,0,0,0|0,0,2]=4 2271 B6R0.1 CCC[14C](=O)O[Na] Amb22352104 [1,1,0,0,0,0|0,0,1]=3 2272 B6R0.1 CCC\C(\N)=N\O Amb19890174 [1,1,0,0,0,0|1,0,1]=4 2273 B6R0.1 CCNC(=O)OC Amb22734099 [1,1,0,0,0,0|1,0,1]=4 2274 B6R0.1 CCNC(=O)ON Amb25108031 [1,1,0,0,0,0|1,0,1]=4 2275 B6R0.1 CNC(=O)CC=C Amb24479782 [1,1,0,0,0,0|1,0,1]=4 2276 B6R0.1 CNC(=O)CCBr Amb17332890 [1,1,0,0,0,0|2,0,0]=4 2277 B6R0.1 CNC(=O)CCCl Amb1130566 [1,1,0,0,0,0|2,0,0]=4 2278 B6R0.1 CNC(=O)CCI Amb25205915 [1,1,0,0,0,0|2,0,0]=4 2279 B6R0.1 CNC(=O)CCN Amb1139824 [1,1,0,0,0,0|2,0,0]=4 2280 B6R0.1 CNC(=O)CCO Amb10608414 [1,1,0,0,0,0|1,0,1]=4 2281 B6R0.1 CNC(=O)CCS Amb25727705 [1,1,0,0,0,0|1,1,0]=4 2282 B6R0.1 CNCC(=O)NO Amb24640961 [1,1,0,0,0,0|1,0,1]=4 2283 B6R0.1 CNCC(=O)OC Amb1153975 [1,1,0,0,0,0|1,0,1]=4 2284 B6R0.1 CNCC(=O)OC Amb2371116 [1,1,0,0,0,0|1,0,1]=4 2285 B6R0.1 COC(=C)CCO Amb25024469 [1,1,0,0,0,0|1,0,1]=4 2286 B6R0.1 COC(=N)CCCl Amb19958799 [1,1,0,0,0,0|2,0,0]=4 2287 B6R0.1 COC(=N)CCCl Amb22234673 [1,1,0,0,0,0|2,0,0]=4 2288 B6R0.1 COC(=N)CCO Amb17593095 [1,1,0,0,0,0|1,0,1]=4 2289 B6R0.1 COC(=O)C=C=C Amb24478408 [1,1,0,0,0,0|0,0,2]=4 2290 B6R0.1 COC(=O)CC=O Amb18199826 [1,1,0,0,0,0|0,0,0]=2 2291 B6R0.1 COC(=O)CCF Amb22748635 [1,1,0,0,0,0|1,0,0]=3 2292 B6R0.1 COC(=O)CCI Amb24442243 [1,1,0,0,0,0|1,0,0]=3 2293 B6R0.1 COC(=O)CCN Amb1105940 [1,1,0,0,0,0|1,0,0]=3 2294 B6R0.1 COC(=O)CCN Amb22489470 [1,1,0,0,0,0|1,0,0]=3 2295 B6R0.1 COC(=O)CON Amb18640433 [1,1,0,0,0,0|2,0,0]=4 2296 B6R0.1 COC(=O)N=C=O Amb16233562 [1,1,0,0,0,0|1,0,1]=4 2297 B6R0.1 COC(=O)NC=C Amb24479688 [1,1,0,0,0,0|1,0,1]=4 2298 B6R0.1 COC(=O)NC=O Amb20242244 [1,1,0,0,0,0|1,0,0]=3 2299 B6R0.1 COC(=O)NCCl Amb24479773 [1,1,0,0,0,0|2,0,0]=4 2300 B6R0.1 COC(=O)OCC Amb22732530 [1,1,0,0,0,0|1,0,1]=4 2301 B6R0.1 COC(=O)OCCl Amb20623618 [1,1,0,0,0,0|2,0,0]=4 2302 B6R0.1 COC(=O)\C=C/Br Amb10067501 [1,1,0,0,0,0|1,0,1]=4 2303 B6R0.1 COC(=O)\C=C/I Amb2455616 [1,1,0,0,0,0|1,0,1]=4 2304 B6R0.1 COC(=O)\C=C\Br Amb24641633 [1,1,0,0,0,0|1,0,1]=4 2305 B6R0.1 COC(=O)\C=C\I Amb20241347 [1,1,0,0,0,0|1,0,1]=4 2306 B6R0.1 COC(=O)\C=C\S Amb25680634 [1,1,0,0,0,0|0,1,1]=4 2307 B6R0.1 COC(=S)CCCl Amb25758715 [1,1,0,0,0,0|1,1,0]=4 2308 B6R0.1 COC(=S)CCS Amb10795255 [1,1,0,0,0,0|0,2,0]=4 2309 B6R0.1 COC(C)=CC=O Amb25328678 [1,1,0,0,0,0|1,0,1]=4 2310 B6R0.1 COCC(=O)CO Amb24364722 [1,1,0,0,0,0|1,0,1]=4 2311 B6R0.1 COCC(=O)O[Na] Amb2227682 [1,1,0,0,0,0|1,0,1]=4 2312 B6R0.1 COS(=O)CCCl Amb24635086 [1,1,0,0,0,0|2,0,0]=4 2313 B6R0.1 COS(=O)CCO Amb25713675 [1,1,0,0,0,0|1,0,1]=4 2314 B6R0.1 CO[13C](=O)[13CH2][15NH][13CH3] Amb22336903 [1,1,0,0,0,0|1,0,1]=4 2315 B6R0.1 CO\C(\C)=C/C=O Amb25326199 [1,1,0,0,0,0|1,0,1]=4 2316 B6R0.1 CO\C(\C)=C\C=O Amb18121410 [1,1,0,0,0,0|1,0,1]=4 2317 B6R0.1 CSC(=O)CCCl Amb24735675 [1,1,0,0,0,0|1,1,0]=4 2318 B6R0.1 C[NH2+]CC(=O)OC Amb22045201 [1,1,0,0,0,0|1,0,1]=4 2319 B6R0.1 C[NH2+]CC(=O)OC Amb24113851 [1,1,0,0,0,0|1,0,1]=4 2320 B6R0.1 C\C(\CO)=C/C=O Amb24417925 [1,1,0,0,0,0|1,0,1]=4 2321 B6R0.1 C\C=C(/C)\CC=O Amb18120886 [1,1,0,0,0,0|2,0,0]=4 2322 B6R0.1 C\C=C/C(=O)CO Amb24530239 [1,1,0,0,0,0|1,0,1]=4 2323 B6R0.1 C\C=C\C(=O)CO Amb24633379 [1,1,0,0,0,0|1,0,1]=4 2324 B6R0.1 C\C=C\C(=O)NO Amb25076258 [1,1,0,0,0,0|1,0,1]=4 2325 B6R0.1 N#CC(=O)CCO Amb25730943 [1,1,0,0,0,0|1,0,1]=4 2326 B6R0.1 N=C(CCO)NO Amb22491265 [1,1,0,0,0,0|1,0,1]=4 2327 B6R0.1 NC(CCF)=NO Amb24540455 [1,1,0,0,0,0|2,0,0]=4 2328 B6R0.1 NCC(=O)CCN Amb18121893 [1,1,0,0,0,0|2,0,0]=4 2329 B6R0.1 NCC(=O)CCN Amb22227739 [1,1,0,0,0,0|2,0,0]=4 2330 B6R0.1 NCC(=O)CCN Amb22360700 [1,1,0,0,0,0|2,0,0]=4 2331 B6R0.1 NCCC(=O)CBr Amb24479170 [1,1,0,0,0,0|2,0,0]=4 2332 B6R0.1 NCCC(=O)NN Amb18559344 [1,1,0,0,0,0|2,0,0]=4 2333 B6R0.1 NCCC(=O)NO Amb22751684 [1,1,0,0,0,0|1,0,0]=3 2334 B6R0.1 NCCC(N)=NO Amb24761482 [1,1,0,0,0,0|2,0,0]=4 2335 B6R0.1 NCCC(O)C=O Amb25682881 [1,1,0,0,0,0|1,0,1]=4 2336 B6R0.1 NNC(=O)CCO Amb20622339 [1,1,0,0,0,0|1,0,1]=4 2337 B6R0.1 NNC(=O)CCS Amb20622690 [1,1,0,0,0,0|1,1,0]=4 2338 B6R0.1 O=C(CCCl)CCl Amb22395038 [1,1,0,0,0,0|2,0,0]=4 2339 B6R0.1 O=C(CCCl)NBr Amb24391501 [1,1,0,0,0,0|2,0,0]=4 2340 B6R0.1 O=C(CCCl)NCl Amb24427328 [1,1,0,0,0,0|2,0,0]=4 2341 B6R0.1 O=CC(S)CC=O Amb25768520 [1,1,0,0,0,0|0,1,1]=4 2342 B6R0.1 O=CNC(=O)CCl Amb25190070 [1,1,0,0,0,0|2,0,0]=4 2343 B6R0.1 OCC(=O)CCO Amb24061314 [1,1,0,0,0,0|0,0,1]=3 2344 B6R0.1 OCC(=O)CCS Amb24332279 [1,1,0,0,0,0|0,1,0]=3 2345 B6R0.1 OCC(O)CC=O Amb25243032 [1,1,0,0,0,0|0,0,2]=4 2346 B6R0.1 OCCC(=NO)N Amb13952693 [1,1,0,0,0,0|1,0,1]=4 2347 B6R0.1 OCCC(=O)CBr Amb25210851 [1,1,0,0,0,0|1,0,1]=4 2348 B6R0.1 OCCC(=O)CCl Amb24674169 [1,1,0,0,0,0|1,0,1]=4 2349 B6R0.1 OCCC(=O)CO Amb10603377 [1,1,0,0,0,0|0,0,1]=3 2350 B6R0.1 OCC[C@@H](O)C=O Amb24741761 [1,1,0,0,0,0|0,0,2]=4 2351 B6R0.1 OCC\C(=N\O)\N Amb1113605 [1,1,0,0,0,0|1,0,1]=4 2352 B6R0.1 OC[C@H](O)CC=O Amb24595645 [1,1,0,0,0,0|0,0,2]=4 2353 B6R0.1 O[C@@H](CC=O)C=O Amb25169555 [1,1,0,0,0,0|0,0,1]=3 2354 B6R0.1 O[C@@H](CCl)CC=O Amb25824190 [1,1,0,0,0,0|1,0,1]=4 2355 B6R0.1 O[C@H](CC=O)C=O Amb25373324 [1,1,0,0,0,0|0,0,1]=3 2356 B6R0.2 C=C(Br)CC(N)=O Amb25174913 [1,1,0,0,0,0|1,0,1]=4 2357 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [1,1,0,0,0,0|0,0,1]=3 2358 B6R0.2 C=C(Cl)CC(N)=O Amb24376175 [1,1,0,0,0,0|1,0,1]=4 2359 B6R0.2 CC(=C)CC(=O)C Amb17593075 [1,1,0,0,0,0|1,0,1]=4 2360 B6R0.2 CC(=CC(=O)O)C Amb1485519 [1,1,0,0,0,0|1,0,1]=4 2361 B6R0.2 CC(=N)CC(N)=O Amb25259783 [1,1,0,0,0,0|2,0,0]=4 2362 B6R0.2 CC(=O)CC(=C)Br Amb25662372 [1,1,0,0,0,0|1,0,1]=4 2363 B6R0.2 CC(=O)CC(=O)Br Amb24422459 [1,1,0,0,0,0|1,0,0]=3 2364 B6R0.2 CC(=O)CC(C)=N Amb22345922 [1,1,0,0,0,0|2,0,0]=4 2365 B6R0.2 CC(=O)CC(C)=O Amb22727963 [1,1,0,0,0,0|1,0,0]=3 2366 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [1,1,0,0,0,0|1,0,1]=4 2367 B6R0.2 CC(=O)CC(C)[O-] Amb22729909 [1,1,0,0,0,0|1,0,1]=4 2368 B6R0.2 CC(=O)CC(Cl)Cl Amb24476084 [1,1,0,0,0,0|2,0,0]=4 2369 B6R0.2 CC(=O)CC(F)F Amb24669174 [1,1,0,0,0,0|2,0,0]=4 2370 B6R0.2 CC(=O)CC(N)=S Amb24102403 [1,1,0,0,0,0|1,1,0]=4 2371 B6R0.2 CC(=O)CC(O)=O Amb22348460 [1,1,0,0,0,0|0,0,0]=2 2372 B6R0.2 CC(=O)CC(O)=S Amb24689856 [1,1,0,0,0,0|0,1,0]=3 2373 B6R0.2 CC(=O)CC(O)O Amb25273111 [1,1,0,0,0,0|0,0,2]=4 2374 B6R0.2 CC(=O)CC([O-])=O Amb22265051 [1,1,0,0,0,0|0,0,1]=3 2375 B6R0.2 CC(=O)CS(C)=O Amb25025354 [1,1,0,0,0,0|2,0,0]=4 2376 B6R0.2 CC(=O)C[N+]([O-])=O Amb18833135 [1,1,0,0,0,0|1,0,1]=4 2377 B6R0.2 CC(=S)CC(N)=O Amb24479846 [1,1,0,0,0,0|1,1,0]=4 2378 B6R0.2 CC(Br)=CC(O)=O Amb25347173 [1,1,0,0,0,0|1,0,1]=4 2379 B6R0.2 CC(Br)CC(N)=O Amb24635749 [1,1,0,0,0,0|1,0,1]=4 2380 B6R0.2 CC(C)CC([O-])=O Amb22732147 [1,1,0,0,0,0|0,0,2]=4 2381 B6R0.2 CC(C)CC([O-])=O Amb22732282 [1,1,0,0,0,0|0,0,2]=4 2382 B6R0.2 CC(C)CC([O-])=O Amb22734041 [1,1,0,0,0,0|0,0,2]=4 2383 B6R0.2 CC(C)CC([O-])=O Amb22734425 [1,1,0,0,0,0|0,0,2]=4 2384 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [1,1,0,0,0,0|0,0,1]=3 2385 B6R0.2 CC(C)C[13C]([O-])=O Amb22336662 [1,1,0,0,0,0|0,0,2]=4 2386 B6R0.2 CC(CC(=O)C)Cl Amb17593234 [1,1,0,0,0,0|1,0,1]=4 2387 B6R0.2 CC(CC(=O)C)N Amb2583230 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.2 CC(CC(=O)C)O Amb17593091 [1,1,0,0,0,0|1,0,1]=4 2389 B6R0.2 CC(F)=CC(O)=O Amb24676595 [1,1,0,0,0,0|1,0,1]=4 2390 B6R0.2 CC(F)CC(O)=O Amb24561809 [1,1,0,0,0,0|0,0,1]=3 2391 B6R0.2 CC(I)=CC(O)=O Amb24668934 [1,1,0,0,0,0|1,0,1]=4 2392 B6R0.2 CC(I)CC(N)=O Amb25783800 [1,1,0,0,0,0|1,0,1]=4 2393 B6R0.2 CC(N)=CC(O)=O Amb25856437 [1,1,0,0,0,0|1,0,1]=4 2394 B6R0.2 CC(N)CC(=O)Cl Amb25830663 [1,1,0,0,0,0|1,0,1]=4 2395 B6R0.2 CC(N)CC(C)=O Amb22587050 [1,1,0,0,0,0|1,0,1]=4 2396 B6R0.2 CC(N)CC(N)=O Amb18281237 [1,1,0,0,0,0|1,0,1]=4 2397 B6R0.2 CC(N)CC(O)=O Amb19888354 [1,1,0,0,0,0|0,0,1]=3 2398 B6R0.2 CC(O)CC(O)=O Amb22348403 [1,1,0,0,0,0|0,0,1]=3 2399 B6R0.2 CC(O)CP(O)=O Amb24406357 [1,1,0,0,0,0|1,0,1]=4 2400 B6R0.2 CC(S)CC(C)=O Amb24600676 [1,1,0,0,0,0|1,0,1]=4 2401 B6R0.2 CC(S)CC(N)=O Amb24479823 [1,1,0,0,0,0|1,0,1]=4 2402 B6R0.2 CC(S)CC(O)=O Amb18281031 [1,1,0,0,0,0|0,0,1]=3 2403 B6R0.2 CN(Br)CC(O)=O Amb25745878 [1,1,0,0,0,0|1,0,1]=4 2404 B6R0.2 CN(Cl)CC(O)=O Amb24455857 [1,1,0,0,0,0|1,0,1]=4 2405 B6R0.2 CN(N)CC(O)=O Amb23592296 [1,1,0,0,0,0|1,0,1]=4 2406 B6R0.2 CN(O)CC(O)=O Amb24732008 [1,1,0,0,0,0|1,0,1]=4 2407 B6R0.2 CS(=O)CC(N)=O Amb24394100 [1,1,0,0,0,0|2,0,0]=4 2408 B6R0.2 CS(=O)CC(O)=O Amb18957960 [1,1,0,0,0,0|1,0,0]=3 2409 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [1,1,0,0,0,0|0,0,2]=4 2410 B6R0.2 C[13C](=O)O[13C](C)=O Amb22353530 [1,1,0,0,0,0|2,0,0]=4 2411 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [1,1,0,0,0,0|0,0,1]=3 2412 B6R0.2 C[C@@H](Cl)CC(=O)Cl Amb25321802 [1,1,0,0,0,0|1,0,1]=4 2413 B6R0.2 C[C@@H](N)CC(N)=O Amb25789836 [1,1,0,0,0,0|1,0,1]=4 2414 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [1,1,0,0,0,0|1,0,1]=4 2415 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [1,1,0,0,0,0|0,0,1]=3 2416 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [1,1,0,0,0,0|0,0,1]=3 2417 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [1,1,0,0,0,0|0,0,1]=3 2418 B6R0.2 C[C@H](Cl)CC(=O)Cl Amb25053837 [1,1,0,0,0,0|1,0,1]=4 2419 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [1,1,0,0,0,0|0,0,1]=3 2420 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [1,1,0,0,0,0|0,0,1]=3 2421 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [1,1,0,0,0,0|1,0,1]=4 2422 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [1,1,0,0,0,0|0,0,1]=3 2423 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [1,1,0,0,0,0|0,0,1]=3 2424 B6R0.2 C[NH+](C)CC(O)=O Amb24113881 [1,1,0,0,0,0|1,0,1]=4 2425 B6R0.2 C\C(\Br)=C\C(O)=O Amb25662428 [1,1,0,0,0,0|1,0,1]=4 2426 B6R0.2 C\C(\Cl)=C/C(O)=O Amb18123483 [1,1,0,0,0,0|1,0,1]=4 2427 B6R0.2 C\C(\Cl)=C\C(O)=O Amb23556468 [1,1,0,0,0,0|1,0,1]=4 2428 B6R0.2 C\C(\I)=C\C(O)=O Amb24741877 [1,1,0,0,0,0|1,0,1]=4 2429 B6R0.2 C\C(\O)=C\C(C)=O Amb22034390 [1,1,0,0,0,0|1,0,1]=4 2430 B6R0.2 N=C(Cl)CC(O)=O Amb25796071 [1,1,0,0,0,0|1,0,0]=3 2431 B6R0.2 NC(=N)CC(=O)N Amb1981332 [1,1,0,0,0,0|2,0,0]=4 2432 B6R0.2 NC(=O)CC(=N)[NH3+] Amb2439350 [1,1,0,0,0,0|2,0,0]=4 2433 B6R0.2 NC(=O)CC(=O)N Amb1971463 [1,1,0,0,0,0|1,0,0]=3 2434 B6R0.2 NC(=O)CC(=S)N Amb1155422 [1,1,0,0,0,0|1,1,0]=4 2435 B6R0.2 NC(=O)CC(Cl)Cl Amb24479899 [1,1,0,0,0,0|2,0,0]=4 2436 B6R0.2 NC(=O)CC(O)O Amb25810087 [1,1,0,0,0,0|0,0,2]=4 2437 B6R0.2 NC(=O)CC([O-])=O Amb22263088 [1,1,0,0,0,0|0,0,1]=3 2438 B6R0.2 NC(=O)[CH-]C(N)=O Amb24591184 [1,1,0,0,0,0|1,0,1]=4 2439 B6R0.2 NC(F)CC(O)=O Amb24479804 [1,1,0,0,0,0|1,0,0]=3 2440 B6R0.2 N[13C](=O)N[13C](N)=O Amb22367408 [1,1,0,0,0,0|2,0,0]=4 2441 B6R0.2 N[13C](=O)[13CH2][13C](=O)N Amb17616663 [1,1,0,0,0,0|1,0,0]=3 2442 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [1,1,0,0,0,0|0,0,1]=3 2443 B6R0.2 N[C@@H](F)CC(O)=O Amb25854307 [1,1,0,0,0,0|1,0,0]=3 2444 B6R0.2 O=C(Cl)CC(Cl)Cl Amb24478549 [1,1,0,0,0,0|2,0,0]=4 2445 B6R0.2 OB(O)CC(O)=O Amb24053058 [1,1,0,0,0,0|1,0,1]=4 2446 B6R0.2 OC(=O)C=C(Br)Br Amb24435008 [1,1,0,0,0,0|1,0,1]=4 2447 B6R0.2 OC(=O)C=C(F)F Amb24116995 [1,1,0,0,0,0|1,0,1]=4 2448 B6R0.2 OC(=O)CC(=S)N Amb17465742 [1,1,0,0,0,0|0,1,0]=3 2449 B6R0.2 OC(=O)CC(F)Br Amb25336987 [1,1,0,0,0,0|1,0,0]=3 2450 B6R0.2 OC(=O)CC(F)F Amb22001551 [1,1,0,0,0,0|1,0,0]=3 2451 B6R0.2 OC(=O)CC(O)=O Amb21935659 [1,1,0,0,0,0|0,0,0]=2 2452 B6R0.2 OC(=O)CC(O)=O Amb22230690 [1,1,0,0,0,0|0,0,0]=2 2453 B6R0.2 OC(=O)CC(O)=O Amb22230927 [1,1,0,0,0,0|0,0,0]=2 2454 B6R0.2 OC(=O)CN(Cl)Cl Amb25133084 [1,1,0,0,0,0|2,0,0]=4 2455 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [1,1,0,0,0,0|0,0,0]=2 2456 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [1,1,0,0,0,0|0,0,0]=2 2457 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [1,1,0,0,0,0|0,0,0]=2 2458 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [1,1,0,0,0,0|1,0,0]=3 2459 B6R0.2 [13CH3]C(=O)OC([13CH3])=O Amb22336728 [1,1,0,0,0,0|2,0,0]=4 2460 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [1,1,0,0,0,0|0,0,2]=4 2461 B6R0.2 [13CH3][13C](=O)O[13C]([13CH3])=O Amb22338759 [1,1,0,0,0,0|2,0,0]=4 2462 B6R0.2 [15NH2]C(=O)[15NH]C([15NH2])=O Amb22367466 [1,1,0,0,0,0|2,0,0]=4 2463 B6R0.2 [BH3-][S+](C)CC(O)=O Amb24480870 [1,1,0,0,0,0|1,0,1]=4 2464 B6R0.2 [O-]C(=O)CC(=O)[O-] Amb10070428 [1,1,0,0,0,0|0,0,1]=3 2465 B6R0.2 [O-]C(=O)CC(F)F Amb24117960 [1,1,0,0,0,0|1,0,1]=4 2466 B6R0.2 [O-]C(=O)CC([O-])=O Amb22730396 [1,1,0,0,0,0|0,0,1]=3 2467 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [1,1,0,0,0,0|0,0,2]=4 2468 B6R0.2 [O-][N+](=O)CC(=O)N Amb10069145 [1,1,0,0,0,0|1,0,1]=4 2469 B6R0.2 [O-][N+](=O)CC(=O)N Amb1101925 [1,1,0,0,0,0|1,0,1]=4 2470 B6R0.3 C#CC(O)C(O)=O Amb22731622 [1,1,0,0,0,0|0,0,2]=4 2471 B6R0.3 C#C[C@H](N)C(O)=O Amb22350666 [1,1,0,0,0,0|0,0,2]=4 2472 B6R0.3 C=C(C=C)C(O)=O Amb24394371 [1,1,0,0,0,0|0,0,2]=4 2473 B6R0.3 C=C(CF)C(O)=O Amb25215375 [1,1,0,0,0,0|1,0,1]=4 2474 B6R0.3 C=C(CI)C(O)=O Amb24419641 [1,1,0,0,0,0|1,0,1]=4 2475 B6R0.3 C=C(CN)C(O)=O Amb25200864 [1,1,0,0,0,0|1,0,1]=4 2476 B6R0.3 C=C(CO)C(O)=O Amb18121817 [1,1,0,0,0,0|0,0,2]=4 2477 B6R0.3 C=CC(=O)C(O)=O Amb22011796 [1,1,0,0,0,0|0,0,2]=4 2478 B6R0.3 C=CC(Br)C(O)=O Amb24453871 [1,1,0,0,0,0|0,0,1]=3 2479 B6R0.3 C=CC(Cl)C(N)=O Amb24479818 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.3 C=CC(N)C(N)=O Amb24689093 [1,1,0,0,0,0|1,0,1]=4 2481 B6R0.3 C=CC(N)C(O)=O Amb20240543 [1,1,0,0,0,0|0,0,1]=3 2482 B6R0.3 C=CC(O)C(O)=O Amb24061247 [1,1,0,0,0,0|0,0,1]=3 2483 B6R0.3 C=C[C@@H](N)C(O)=O Amb20241335 [1,1,0,0,0,0|0,0,1]=3 2484 B6R0.3 C=C[C@@H](N)C(O)=O Amb22756048 [1,1,0,0,0,0|0,0,1]=3 2485 B6R0.3 C=C[C@@H](O)C(N)=O Amb25791152 [1,1,0,0,0,0|1,0,1]=4 2486 B6R0.3 C=C[C@@H](O)C(O)=O Amb25146844 [1,1,0,0,0,0|0,0,1]=3 2487 B6R0.3 C=C[C@H](O)C(O)=O Amb25118468 [1,1,0,0,0,0|0,0,1]=3 2488 B6R0.3 CC(=C)C(O)C=O Amb24457056 [1,1,0,0,0,0|2,0,0]=4 2489 B6R0.3 CC(=C=C)C(=O)O Amb17593066 [1,1,0,0,0,0|0,0,2]=4 2490 B6R0.3 CC(=CCl)C(O)=O Amb25692582 [1,1,0,0,0,0|1,0,1]=4 2491 B6R0.3 CC(=CN)C(O)=O Amb25375168 [1,1,0,0,0,0|1,0,1]=4 2492 B6R0.3 CC(=CO)C(O)=O Amb25745269 [1,1,0,0,0,0|0,0,2]=4 2493 B6R0.3 CC(=O)C(=O)C=O Amb25281133 [1,1,0,0,0,0|1,0,1]=4 2494 B6R0.3 CC(=O)C(Br)CO Amb24649743 [1,1,0,0,0,0|1,0,1]=4 2495 B6R0.3 CC(=O)C(Br)N=O Amb24332992 [1,1,0,0,0,0|2,0,0]=4 2496 B6R0.3 CC(=O)C(Cl)CF Amb24594938 [1,1,0,0,0,0|2,0,0]=4 2497 B6R0.3 CC(=O)C(Cl)CO Amb25321596 [1,1,0,0,0,0|1,0,1]=4 2498 B6R0.3 CC(=O)C(F)CO Amb24725289 [1,1,0,0,0,0|1,0,1]=4 2499 B6R0.3 CC(=O)C(N)CN Amb24479898 [1,1,0,0,0,0|2,0,0]=4 2500 B6R0.3 CC(=O)C(N)CO Amb18640011 [1,1,0,0,0,0|1,0,1]=4 2501 B6R0.3 CC(=O)C(N)CS Amb24479874 [1,1,0,0,0,0|1,1,0]=4 2502 B6R0.3 CC(=O)C(O)C=O Amb24715304 [1,1,0,0,0,0|1,0,0]=3 2503 B6R0.3 CC(=O)C(O)CN Amb24636554 [1,1,0,0,0,0|2,0,0]=4 2504 B6R0.3 CC(=O)C([Na])C=O Amb25858759 [1,1,0,0,0,0|1,0,0]=3 2505 B6R0.3 CC(=O)[C@@H](N)CO Amb22745043 [1,1,0,0,0,0|1,0,1]=4 2506 B6R0.3 CC(=O)[C@@H](O)C=C Amb25662172 [1,1,0,0,0,0|1,0,1]=4 2507 B6R0.3 CC(=O)[C@@H](O)CCl Amb24401543 [1,1,0,0,0,0|2,0,0]=4 2508 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [1,1,0,0,0,0|1,0,1]=4 2509 B6R0.3 CC(=O)[C@H](O)C=C Amb24480657 [1,1,0,0,0,0|1,0,1]=4 2510 B6R0.3 CC(=O)[C@H](O)CCl Amb25169511 [1,1,0,0,0,0|2,0,0]=4 2511 B6R0.3 CC(=O)[C@H](O)CO Amb25838797 [1,1,0,0,0,0|1,0,1]=4 2512 B6R0.3 CC(C#C)C(O)=O Amb25085390 [1,1,0,0,0,0|0,0,2]=4 2513 B6R0.3 CC(C(=O)C)CO Amb10844844 [1,1,0,0,0,0|1,0,1]=4 2514 B6R0.3 CC(C(=O)O)C#N Amb17210512 [1,1,0,0,0,0|1,0,1]=4 2515 B6R0.3 CC(C=C)C(O)=O Amb21618706 [1,1,0,0,0,0|0,0,1]=3 2516 B6R0.3 CC(C=O)C(C)=C Amb18639176 [1,1,0,0,0,0|2,0,0]=4 2517 B6R0.3 CC(C=O)C(C)=O Amb18639572 [1,1,0,0,0,0|1,0,0]=3 2518 B6R0.3 CC(C=O)C(N)=O Amb24479831 [1,1,0,0,0,0|1,0,0]=3 2519 B6R0.3 CC(CBr)C(C)=O Amb25296678 [1,1,0,0,0,0|2,0,0]=4 2520 B6R0.3 CC(CBr)C(O)=O Amb22002601 [1,1,0,0,0,0|1,0,0]=3 2521 B6R0.3 CC(CCl)C(=O)Cl Amb24479841 [1,1,0,0,0,0|2,0,0]=4 2522 B6R0.3 CC(CCl)C(=O)S Amb24410197 [1,1,0,0,0,0|1,1,0]=4 2523 B6R0.3 CC(CCl)C(N)=O Amb25061744 [1,1,0,0,0,0|2,0,0]=4 2524 B6R0.3 CC(CCl)C(O)=O Amb18522181 [1,1,0,0,0,0|1,0,0]=3 2525 B6R0.3 CC(CF)C(C)=O Amb25253758 [1,1,0,0,0,0|2,0,0]=4 2526 B6R0.3 CC(CF)C(O)=O Amb24432331 [1,1,0,0,0,0|1,0,0]=3 2527 B6R0.3 CC(CI)C(O)=O Amb25695307 [1,1,0,0,0,0|1,0,0]=3 2528 B6R0.3 CC(CN)C(=O)Cl Amb24525988 [1,1,0,0,0,0|2,0,0]=4 2529 B6R0.3 CC(CN)C(C)=O Amb18639690 [1,1,0,0,0,0|2,0,0]=4 2530 B6R0.3 CC(CO)C([O-])=O Amb24123145 [1,1,0,0,0,0|0,0,2]=4 2531 B6R0.3 CC(CS)C(C)=O Amb25830693 [1,1,0,0,0,0|1,1,0]=4 2532 B6R0.3 CC(CS)C(N)=O Amb25759660 [1,1,0,0,0,0|1,1,0]=4 2533 B6R0.3 CC(N=C)C(O)=O Amb24591339 [1,1,0,0,0,0|1,0,0]=3 2534 B6R0.3 CC(NBr)C(O)=O Amb24677636 [1,1,0,0,0,0|2,0,0]=4 2535 B6R0.3 CC(NCl)C(O)=O Amb25267473 [1,1,0,0,0,0|2,0,0]=4 2536 B6R0.3 CC(NN)C(O)=O Amb18640367 [1,1,0,0,0,0|2,0,0]=4 2537 B6R0.3 CC(O)=C(Br)C=O Amb25810089 [1,1,0,0,0,0|1,0,1]=4 2538 B6R0.3 CC(O)=C(O)C=O Amb25747147 [1,1,0,0,0,0|1,0,1]=4 2539 B6R0.3 CC(O)C(Br)C=O Amb25702152 [1,1,0,0,0,0|1,0,1]=4 2540 B6R0.3 CC(O)C(N)C=O Amb24480424 [1,1,0,0,0,0|1,0,1]=4 2541 B6R0.3 CC(O)C(O)C=O Amb18122303 [1,1,0,0,0,0|1,0,1]=4 2542 B6R0.3 CC(ON)C(O)=O Amb24479235 [1,1,0,0,0,0|2,0,0]=4 2543 B6R0.3 CCC(=C)C(O)=O Amb18639591 [1,1,0,0,0,0|0,0,2]=4 2544 B6R0.3 CCC(=O)C(O)=O Amb22274199 [1,1,0,0,0,0|0,0,2]=4 2545 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [1,1,0,0,0,0|1,0,1]=4 2546 B6R0.3 CCC(Br)C(C)=O Amb24615269 [1,1,0,0,0,0|1,0,1]=4 2547 B6R0.3 CCC(Br)C(Cl)=O Amb17666758 [1,1,0,0,0,0|1,0,1]=4 2548 B6R0.3 CCC(C(=O)Cl)N Amb17593240 [1,1,0,0,0,0|1,0,1]=4 2549 B6R0.3 CCC(C(=O)N)Br Amb13952819 [1,1,0,0,0,0|1,0,1]=4 2550 B6R0.3 CCC(C(=O)N)N Amb1914080 [1,1,0,0,0,0|1,0,1]=4 2551 B6R0.3 CCC(C(=O)O)S Amb17501370 [1,1,0,0,0,0|0,0,1]=3 2552 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [1,1,0,0,0,0|1,0,1]=4 2553 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [1,1,0,0,0,0|1,0,1]=4 2554 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [1,1,0,0,0,0|1,0,1]=4 2555 B6R0.3 CCC(F)C(C)=O Amb24736393 [1,1,0,0,0,0|1,0,1]=4 2556 B6R0.3 CCC(F)C(N)=O Amb25811426 [1,1,0,0,0,0|1,0,1]=4 2557 B6R0.3 CCC(F)C(O)=O Amb25716167 [1,1,0,0,0,0|0,0,1]=3 2558 B6R0.3 CCC(I)C(N)=O Amb25131171 [1,1,0,0,0,0|1,0,1]=4 2559 B6R0.3 CCC(N)C(=O)S Amb24479075 [1,1,0,0,0,0|0,1,1]=4 2560 B6R0.3 CCC(N)C(C)=O Amb18202785 [1,1,0,0,0,0|1,0,1]=4 2561 B6R0.3 CCC(N)P(O)=O Amb25269903 [1,1,0,0,0,0|1,0,1]=4 2562 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,1,0,0,0,0|1,0,1]=4 2563 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,1,0,0,0,0|1,0,1]=4 2564 B6R0.3 CCC(O)C(O)=O Amb22352315 [1,1,0,0,0,0|0,0,1]=3 2565 B6R0.3 CCC(O)C(O)=O Amb22360643 [1,1,0,0,0,0|0,0,1]=3 2566 B6R0.3 CCC(O)C([O-])=O Amb17943026 [1,1,0,0,0,0|0,0,2]=4 2567 B6R0.3 CCC(O)C([O-])=O Amb24325325 [1,1,0,0,0,0|0,0,2]=4 2568 B6R0.3 CCC(O)P(O)=O Amb25169578 [1,1,0,0,0,0|1,0,1]=4 2569 B6R0.3 CCC(S)C(N)=O Amb24479879 [1,1,0,0,0,0|1,0,1]=4 2570 B6R0.3 CC[C@@H](Br)C(=O)Cl Amb24582761 [1,1,0,0,0,0|1,0,1]=4 2571 B6R0.3 CC[C@@H](Br)C(N)=O Amb25025862 [1,1,0,0,0,0|1,0,1]=4 2572 B6R0.3 CC[C@@H](C)C(=O)Cl Amb24577241 [1,1,0,0,0,0|1,0,1]=4 2573 B6R0.3 CC[C@@H](C)C(N)=O Amb22232008 [1,1,0,0,0,0|1,0,1]=4 2574 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [1,1,0,0,0,0|1,0,1]=4 2575 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [1,1,0,0,0,0|0,0,1]=3 2576 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [1,1,0,0,0,0|0,0,1]=3 2577 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [1,1,0,0,0,0|1,0,1]=4 2578 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [1,1,0,0,0,0|1,0,1]=4 2579 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [1,1,0,0,0,0|1,0,1]=4 2580 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [1,1,0,0,0,0|0,0,1]=3 2581 B6R0.3 CC[C@H](Br)C(N)=O Amb24365914 [1,1,0,0,0,0|1,0,1]=4 2582 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [1,1,0,0,0,0|0,0,1]=3 2583 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [1,1,0,0,0,0|0,0,1]=3 2584 B6R0.3 CC[C@H](C)C(C)=O Amb24706969 [1,1,0,0,0,0|1,0,1]=4 2585 B6R0.3 CC[C@H](Cl)C(=O)Cl Amb24710023 [1,1,0,0,0,0|1,0,1]=4 2586 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [1,1,0,0,0,0|0,0,1]=3 2587 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [1,1,0,0,0,0|0,0,1]=3 2588 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [1,1,0,0,0,0|1,0,1]=4 2589 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [1,1,0,0,0,0|1,0,1]=4 2590 B6R0.3 CNC(C)C(O)=O Amb19373699 [1,1,0,0,0,0|1,0,1]=4 2591 B6R0.3 COC(N)C(O)=O Amb24621851 [1,1,0,0,0,0|1,0,1]=4 2592 B6R0.3 COC(O)C(O)=O Amb24479754 [1,1,0,0,0,0|1,0,1]=4 2593 B6R0.3 CSC(Br)C(O)=O Amb25169549 [1,1,0,0,0,0|1,0,1]=4 2594 B6R0.3 CSC(F)C(O)=O Amb25043740 [1,1,0,0,0,0|1,0,1]=4 2595 B6R0.3 CS[C@@H](C)C(O)=O Amb25173497 [1,1,0,0,0,0|1,0,1]=4 2596 B6R0.3 C[C@@H](C(=O)O)CN Amb10844022 [1,1,0,0,0,0|1,0,0]=3 2597 B6R0.3 C[C@@H](C(=O)O)NC Amb16233347 [1,1,0,0,0,0|1,0,1]=4 2598 B6R0.3 C[C@@H](C(=O)O)NC Amb16233348 [1,1,0,0,0,0|1,0,1]=4 2599 B6R0.3 C[C@@H](C=O)C(C)=O Amb24666681 [1,1,0,0,0,0|1,0,0]=3 2600 B6R0.3 C[C@@H](C=O)[C@@H](C)O Amb25714216 [1,1,0,0,0,0|1,0,1]=4 2601 B6R0.3 C[C@@H](CBr)C(O)=O Amb24334368 [1,1,0,0,0,0|1,0,0]=3 2602 B6R0.3 C[C@@H](CN)C(O)=O Amb22756746 [1,1,0,0,0,0|1,0,0]=3 2603 B6R0.3 C[C@@H](CO)C(C)=O Amb25320503 [1,1,0,0,0,0|1,0,1]=4 2604 B6R0.3 C[C@@H](CS)C(O)=O Amb24462697 [1,1,0,0,0,0|0,1,0]=3 2605 B6R0.3 C[C@@H](NN)C(O)=O Amb24732969 [1,1,0,0,0,0|2,0,0]=4 2606 B6R0.3 C[C@@H](NO)C(O)=O Amb24702625 [1,1,0,0,0,0|1,0,1]=4 2607 B6R0.3 C[C@@H](O)[C@H](O)C=O Amb24398705 [1,1,0,0,0,0|1,0,1]=4 2608 B6R0.3 C[C@H](C(=O)O)CCl Amb10844008 [1,1,0,0,0,0|1,0,0]=3 2609 B6R0.3 C[C@H](C(=O)O)NC Amb10844859 [1,1,0,0,0,0|1,0,1]=4 2610 B6R0.3 C[C@H](C=O)C(C)=O Amb25358934 [1,1,0,0,0,0|1,0,0]=3 2611 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [1,1,0,0,0,0|2,0,0]=4 2612 B6R0.3 C[C@H](CCl)C(O)=O Amb25133056 [1,1,0,0,0,0|1,0,0]=3 2613 B6R0.3 C[C@H](CN)C(O)=O Amb24117452 [1,1,0,0,0,0|1,0,0]=3 2614 B6R0.3 C[C@H](CS)C(O)=O Amb25228453 [1,1,0,0,0,0|0,1,0]=3 2615 B6R0.3 C[C@H](N=C)C(O)=O Amb25720495 [1,1,0,0,0,0|1,0,0]=3 2616 B6R0.3 C[C@H](NCl)C(O)=O Amb24460300 [1,1,0,0,0,0|2,0,0]=4 2617 B6R0.3 C[C@H](ON)C(O)=O Amb25853808 [1,1,0,0,0,0|2,0,0]=4 2618 B6R0.3 C\C(=C/N)\C(O)=O Amb24507602 [1,1,0,0,0,0|1,0,1]=4 2619 B6R0.3 C\C(=C/O)\C(O)=O Amb25140969 [1,1,0,0,0,0|0,0,2]=4 2620 B6R0.3 C\C(\O)=C(\O)/C=O Amb25119300 [1,1,0,0,0,0|1,0,1]=4 2621 B6R0.3 C\C=C(/Br)\C(O)=O Amb18646193 [1,1,0,0,0,0|1,0,1]=4 2622 B6R0.3 C\C=C(/Cl)\C(O)=O Amb18123515 [1,1,0,0,0,0|1,0,1]=4 2623 B6R0.3 C\C=C(/O)\C(O)=O Amb22727962 [1,1,0,0,0,0|1,0,1]=4 2624 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [1,1,0,0,0,0|2,0,0]=4 2625 B6R0.3 NC(=O)C(Cl)CO Amb24392534 [1,1,0,0,0,0|1,0,1]=4 2626 B6R0.3 NC(=O)C(F)CF Amb25128008 [1,1,0,0,0,0|2,0,0]=4 2627 B6R0.3 NC(=O)C(F)CO Amb24507432 [1,1,0,0,0,0|1,0,1]=4 2628 B6R0.3 NC(=O)N(O)C=O Amb24479864 [1,1,0,0,0,0|2,0,0]=4 2629 B6R0.3 NC(=O)[C@H](O)CO Amb25732480 [1,1,0,0,0,0|1,0,1]=4 2630 B6R0.3 NC(C#N)C(O)=O Amb25328320 [1,1,0,0,0,0|1,0,1]=4 2631 B6R0.3 NC(C(=O)N)CO Amb17593097 [1,1,0,0,0,0|1,0,1]=4 2632 B6R0.3 NC(C(=O)O)CF Amb10839589 [1,1,0,0,0,0|1,0,0]=3 2633 B6R0.3 NC(C(=O)O)CS Amb13961966 [1,1,0,0,0,0|0,1,0]=3 2634 B6R0.3 NC(C=O)C(O)=O Amb24349579 [1,1,0,0,0,0|0,0,0]=2 2635 B6R0.3 NC(C=S)C(O)=O Amb25227802 [1,1,0,0,0,0|0,1,0]=3 2636 B6R0.3 NC(CCl)C(O)=O Amb19651457 [1,1,0,0,0,0|1,0,0]=3 2637 B6R0.3 NC(CCl)C(O)=O Amb21961077 [1,1,0,0,0,0|1,0,0]=3 2638 B6R0.3 NC(CI)C(O)=O Amb25177412 [1,1,0,0,0,0|1,0,0]=3 2639 B6R0.3 NC(CO)[13C](O)=O Amb22353217 [1,1,0,0,0,0|0,0,1]=3 2640 B6R0.3 NC(CS)C(N)=O Amb18641990 [1,1,0,0,0,0|1,1,0]=4 2641 B6R0.3 NC(CS)C(O)=O Amb22489523 [1,1,0,0,0,0|0,1,0]=3 2642 B6R0.3 NC(CS)P(O)=O Amb25772157 [1,1,0,0,0,0|1,1,0]=4 2643 B6R0.3 NC([13CH2]S)C(O)=O Amb22054824 [1,1,0,0,0,0|0,1,0]=3 2644 B6R0.3 NCC(=O)C(O)=O Amb24361938 [1,1,0,0,0,0|1,0,1]=4 2645 B6R0.3 NCC(C(=O)O)Cl Amb17593263 [1,1,0,0,0,0|1,0,0]=3 2646 B6R0.3 NCC(C(=O)O)S Amb17593238 [1,1,0,0,0,0|1,0,0]=3 2647 B6R0.3 NCC(Cl)C(N)=O Amb25173817 [1,1,0,0,0,0|2,0,0]=4 2648 B6R0.3 NCC(F)C(O)=O Amb22733051 [1,1,0,0,0,0|1,0,0]=3 2649 B6R0.3 NCC(N)C(N)=O Amb18122079 [1,1,0,0,0,0|2,0,0]=4 2650 B6R0.3 NCC(N)C(O)=O Amb22899095 [1,1,0,0,0,0|1,0,0]=3 2651 B6R0.3 NC[C@@H](F)C(O)=O Amb25824168 [1,1,0,0,0,0|1,0,0]=3 2652 B6R0.3 NC[C@@H](N)C(O)=O Amb22745957 [1,1,0,0,0,0|1,0,0]=3 2653 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [1,1,0,0,0,0|1,0,0]=3 2654 B6R0.3 NC[C@@H](S)C(N)=O Amb25106293 [1,1,0,0,0,0|2,0,0]=4 2655 B6R0.3 NC[C@H](N)C(N)=O Amb24470655 [1,1,0,0,0,0|2,0,0]=4 2656 B6R0.3 NOC(F)C(O)=O Amb24446310 [1,1,0,0,0,0|2,0,0]=4 2657 B6R0.3 NOC(O)C(O)=O Amb24735537 [1,1,0,0,0,0|2,0,0]=4 2658 B6R0.3 N[13CH2][13C@H]([13C](=O)O)F Amb17608076 [1,1,0,0,0,0|1,0,0]=3 2659 B6R0.3 N[13CH2][13CH]([13C](=O)O)F Amb17614381 [1,1,0,0,0,0|1,0,0]=3 2660 B6R0.3 N[14CH]([14CH2]O)[14C](O)=O Amb22362940 [1,1,0,0,0,0|0,0,1]=3 2661 B6R0.3 N[C@@H](CCl)C(O)=O Amb22232860 [1,1,0,0,0,0|1,0,0]=3 2662 B6R0.3 N[C@@H](CI)C(O)=O Amb25767583 [1,1,0,0,0,0|1,0,0]=3 2663 B6R0.3 N[C@@H](CO)C(O)=O Amb22351170 [1,1,0,0,0,0|0,0,1]=3 2664 B6R0.3 N[C@@H](CS)C(=O)Cl Amb24562196 [1,1,0,0,0,0|1,1,0]=4 2665 B6R0.3 N[C@@H](CS)C(N)=O Amb23437751 [1,1,0,0,0,0|1,1,0]=4 2666 B6R0.3 N[C@@H](CS)[13C](O)=O Amb22350380 [1,1,0,0,0,0|0,1,0]=3 2667 B6R0.3 N[C@H](C(=O)O)CN Amb16183820 [1,1,0,0,0,0|1,0,0]=3 2668 B6R0.3 N[C@H](CF)C(O)=O Amb24479910 [1,1,0,0,0,0|1,0,0]=3 2669 B6R0.3 N[C@H](CO)C(N)=O Amb22886957 [1,1,0,0,0,0|1,0,1]=4 2670 B6R0.3 N[C@H](CS)C(O)=O Amb17942912 [1,1,0,0,0,0|0,1,0]=3 2671 B6R0.3 O=C(Cl)C(F)CCl Amb25324478 [1,1,0,0,0,0|2,0,0]=4 2672 B6R0.3 O=C(S)C(Cl)CCl Amb25112062 [1,1,0,0,0,0|1,1,0]=4 2673 B6R0.3 O=CC(C(=O)C)Br Amb17232509 [1,1,0,0,0,0|1,0,0]=3 2674 B6R0.3 OC(=CBr)C(O)=O Amb24479759 [1,1,0,0,0,0|1,0,1]=4 2675 B6R0.3 OC(=CS)C(O)=O Amb25340519 [1,1,0,0,0,0|0,1,1]=4 2676 B6R0.3 OC(=O)C(=O)C=O Amb25836179 [1,1,0,0,0,0|0,0,1]=3 2677 B6R0.3 OC(=O)C(=O)CBr Amb10068671 [1,1,0,0,0,0|1,0,1]=4 2678 B6R0.3 OC(=O)C(=O)CCl Amb16233358 [1,1,0,0,0,0|1,0,1]=4 2679 B6R0.3 OC(=O)C(=O)CF Amb22008247 [1,1,0,0,0,0|1,0,1]=4 2680 B6R0.3 OC(=O)C(=O)CF Amb22274202 [1,1,0,0,0,0|1,0,1]=4 2681 B6R0.3 OC(=O)C(=O)CS Amb22360785 [1,1,0,0,0,0|0,1,1]=4 2682 B6R0.3 OC(=O)C(Br)=CCl Amb24429120 [1,1,0,0,0,0|1,0,1]=4 2683 B6R0.3 OC(=O)C(Br)CCl Amb24478864 [1,1,0,0,0,0|1,0,0]=3 2684 B6R0.3 OC(=O)C(CF)Br Amb10605519 [1,1,0,0,0,0|1,0,0]=3 2685 B6R0.3 OC(=O)C(Cl)=CBr Amb24478967 [1,1,0,0,0,0|1,0,1]=4 2686 B6R0.3 OC(=O)C(Cl)C=O Amb24480969 [1,1,0,0,0,0|0,0,0]=2 2687 B6R0.3 OC(=O)C(Cl)CBr Amb25227429 [1,1,0,0,0,0|1,0,0]=3 2688 B6R0.3 OC(=O)C(Cl)CCl Amb22228245 [1,1,0,0,0,0|1,0,0]=3 2689 B6R0.3 OC(=O)C(Cl)CF Amb24669144 [1,1,0,0,0,0|1,0,0]=3 2690 B6R0.3 OC(=O)C(Cl)CS Amb18643661 [1,1,0,0,0,0|0,1,0]=3 2691 B6R0.3 OC(=O)C(F)=CBr Amb24651069 [1,1,0,0,0,0|1,0,1]=4 2692 B6R0.3 OC(=O)C(F)=CCl Amb25805817 [1,1,0,0,0,0|1,0,1]=4 2693 B6R0.3 OC(=O)C(F)C=O Amb22055301 [1,1,0,0,0,0|0,0,0]=2 2694 B6R0.3 OC(=O)C(F)CF Amb24746801 [1,1,0,0,0,0|1,0,0]=3 2695 B6R0.3 OC(=O)C(S)=CS Amb24480963 [1,1,0,0,0,0|0,1,1]=4 2696 B6R0.3 OC(=O)C(S)CS Amb18643295 [1,1,0,0,0,0|0,1,0]=3 2697 B6R0.3 OC(=O)[C@H](Cl)CCl Amb25141566 [1,1,0,0,0,0|1,0,0]=3 2698 B6R0.3 OC(=O)\C(=C/Cl)\Cl Amb17593560 [1,1,0,0,0,0|1,0,1]=4 2699 B6R0.3 OC(=O)\C(\Br)=C/Br Amb22469643 [1,1,0,0,0,0|1,0,1]=4 2700 B6R0.3 OC(=O)\C(\Cl)=C/O Amb24479774 [1,1,0,0,0,0|0,0,2]=4 2701 B6R0.3 OC(=O)\C(\F)=C\F Amb24393011 [1,1,0,0,0,0|1,0,1]=4 2702 B6R0.3 OC(C=O)C(O)=O Amb18640325 [1,1,0,0,0,0|0,0,0]=2 2703 B6R0.3 OC(CBr)C(O)=O Amb24061932 [1,1,0,0,0,0|1,0,0]=3 2704 B6R0.3 OC(CCl)P(O)=O Amb25069434 [1,1,0,0,0,0|2,0,0]=4 2705 B6R0.3 OC(CS)C(O)=O Amb18642053 [1,1,0,0,0,0|0,1,0]=3 2706 B6R0.3 OCC(Br)C(O)=O Amb18126327 [1,1,0,0,0,0|0,0,1]=3 2707 B6R0.3 OCC(C(=O)O)F Amb17593117 [1,1,0,0,0,0|0,0,1]=3 2708 B6R0.3 OCC(C(=O)O)O Amb17593103 [1,1,0,0,0,0|0,0,1]=3 2709 B6R0.3 OCC(Cl)C(O)=O Amb18124304 [1,1,0,0,0,0|0,0,1]=3 2710 B6R0.3 OC[C@@H](C(=O)O)Br Amb10601700 [1,1,0,0,0,0|0,0,1]=3 2711 B6R0.3 OC[C@@H](C(=O)O)C Amb10844567 [1,1,0,0,0,0|0,0,1]=3 2712 B6R0.3 OC[C@H](C(=O)O)C Amb10844554 [1,1,0,0,0,0|0,0,1]=3 2713 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [1,1,0,0,0,0|0,0,1]=3 2714 B6R0.3 ONC(O)C(O)=O Amb25832155 [1,1,0,0,0,0|1,0,1]=4 2715 B6R0.3 O[13C](=O)C(=O)CBr Amb22363329 [1,1,0,0,0,0|1,0,1]=4 2716 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [1,1,0,0,0,0|1,0,0]=3 2717 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [1,1,0,0,0,0|1,0,0]=3 2718 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [1,1,0,0,0,0|0,1,0]=3 2719 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [1,1,0,0,0,0|1,0,0]=3 2720 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [1,1,0,0,0,0|0,0,1]=3 2721 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](O)=O Amb22354011 [1,1,0,0,0,0|0,1,0]=3 2722 B6R0.3 [15NH2][C@@H](CO)C(O)=O Amb22353589 [1,1,0,0,0,0|0,0,1]=3 2723 B6R0.3 [O-]C(=O)C(O)CO Amb22045196 [1,1,0,0,0,0|0,0,2]=4 2724 B6R0.3 [O-]C(=O)[C@@H](O)CO Amb22799769 [1,1,0,0,0,0|0,0,2]=4 2725 B6R0.3 [O-]C(=O)[C@H](C[S-])N Amb17621353 [1,1,0,0,0,0|0,1,1]=4 2726 B6R0.5 C=CCP(O)(O)=O Amb24120618 [1,1,0,0,0,0|1,0,1]=4 2727 B6R0.5 C=CCP([O-])(O)=O Amb22353886 [1,1,0,0,0,0|1,0,1]=4 2728 B6R0.5 C=CC[As](O)(O)=O Amb17933916 [1,1,0,0,0,0|1,0,1]=4 2729 B6R0.5 CC(C)(O)CC=O Amb18121857 [1,1,0,0,0,0|1,0,1]=4 2730 B6R0.5 CCCP(O)(O)=O Amb22230045 [1,1,0,0,0,0|1,0,1]=4 2731 B6R0.5 CP(O)(=O)CCO Amb25085578 [1,1,0,0,0,0|1,0,1]=4 2732 B6R0.5 CS(=O)(=O)CC=O Amb23452908 [1,1,0,0,0,0|1,0,1]=4 2733 B6R0.5 NS(=O)(=O)CC=O Amb24469369 [1,1,0,0,0,0|1,0,1]=4 2734 B6R0.5 O=CCS(=O)(=O)O Amb17593267 [1,1,0,0,0,0|1,0,0]=3 2735 B6R0.5 OCCP(O)(O)=O Amb22388824 [1,1,0,0,0,0|1,0,1]=4 2736 B6R0.5 OCCS(O)(=O)=O Amb22274016 [1,1,0,0,0,0|1,0,1]=4 2737 B6R0.5 OCCS(O)(=O)=O Amb22360755 [1,1,0,0,0,0|1,0,1]=4 2738 B6R0.5 OCCS(O)(=O)=O Amb22751389 [1,1,0,0,0,0|1,0,1]=4 2739 B6R0.5 OP(O)(=S)CC=O Amb25119153 [1,1,0,0,0,0|1,0,1]=4 2740 B6R0.5 OS(=O)(=O)CCBr Amb17938633 [1,1,0,0,0,0|2,0,0]=4 2741 B6R0.5 OS(=O)(=O)CCS Amb22337599 [1,1,0,0,0,0|1,1,0]=4 2742 B6R0.5 OS(=O)(=O)CCS Amb22337676 [1,1,0,0,0,0|1,1,0]=4 2743 B6R0.5 [15NH2]CCS(O)(=O)=O Amb22363139 [1,1,0,0,0,0|2,0,0]=4 2744 B6R0.6 C#CCOCC=O Amb25123719 [1,1,0,0,0,0|1,0,1]=4 2745 B6R0.6 C=CC#CCC=O Amb25063131 [1,1,0,0,0,0|1,0,1]=4 2746 B6R0.6 C=CCCCC=C Amb22227760 [1,1,0,0,0,0|2,0,0]=4 2747 B6R0.6 C=CCCCC=O Amb13883672 [1,1,0,0,0,0|1,0,0]=3 2748 B6R0.6 C=CCCCON Amb25284631 [1,1,0,0,0,0|1,0,1]=4 2749 B6R0.6 C=CCCOCO Amb22338634 [1,1,0,0,0,0|1,0,1]=4 2750 B6R0.6 C=CCC\C=C\Br Amb25811421 [1,1,0,0,0,0|2,0,0]=4 2751 B6R0.6 C=CCNCC=C Amb19929923 [1,1,0,0,0,0|2,0,0]=4 2752 B6R0.6 C=CCSCC=O Amb18641509 [1,1,0,0,0,0|1,0,0]=3 2753 B6R0.6 C=CC\C=C\C=O Amb18120424 [1,1,0,0,0,0|1,0,1]=4 2754 B6R0.6 C=CSCCCO Amb25026486 [1,1,0,0,0,0|1,0,1]=4 2755 B6R0.6 CC#CCCC=O Amb24600953 [1,1,0,0,0,0|1,0,1]=4 2756 B6R0.6 CC=C=CCC=O Amb24579458 [1,1,0,0,0,0|1,0,1]=4 2757 B6R0.6 CCCOCC=O Amb24421025 [1,1,0,0,0,0|1,0,1]=4 2758 B6R0.6 CCCSCC=O Amb24479810 [1,1,0,0,0,0|1,0,1]=4 2759 B6R0.6 CCNCCC=O Amb25712349 [1,1,0,0,0,0|1,0,1]=4 2760 B6R0.6 CCOCCC=O Amb25688261 [1,1,0,0,0,0|1,0,1]=4 2761 B6R0.6 CC\C=C/CC=O Amb18639157 [1,1,0,0,0,0|1,0,1]=4 2762 B6R0.6 CC\C=C\CC=O Amb25136370 [1,1,0,0,0,0|1,0,1]=4 2763 B6R0.6 CNCCCC=O Amb25026193 [1,1,0,0,0,0|1,0,1]=4 2764 B6R0.6 COCCCC=C Amb24432882 [1,1,0,0,0,0|1,0,1]=4 2765 B6R0.6 COCCNC=O Amb24334241 [1,1,0,0,0,0|1,0,1]=4 2766 B6R0.6 CONCCC=C Amb22897002 [1,1,0,0,0,0|2,0,0]=4 2767 B6R0.6 CO\C=C/CC=O Amb24741941 [1,1,0,0,0,0|0,0,1]=3 2768 B6R0.6 CO\C=C\CC=O Amb24741886 [1,1,0,0,0,0|0,0,1]=3 2769 B6R0.6 C\C=C/CCCO Amb17614951 [1,1,0,0,0,0|1,0,1]=4 2770 B6R0.6 C\C=C\CCC=C Amb22734684 [1,1,0,0,0,0|2,0,0]=4 2771 B6R0.6 C\C=C\CCCO Amb22347882 [1,1,0,0,0,0|1,0,1]=4 2772 B6R0.6 C\C=C\CCNO Amb25245372 [1,1,0,0,0,0|2,0,0]=4 2773 B6R0.6 N#CCCCC=O Amb18120556 [1,1,0,0,0,0|1,0,1]=4 2774 B6R0.6 N#CCCNC=O Amb18639097 [1,1,0,0,0,0|1,0,1]=4 2775 B6R0.6 N#CSCCC=O Amb24666788 [1,1,0,0,0,0|1,0,1]=4 2776 B6R0.6 N=CCCCC=O Amb24690651 [1,1,0,0,0,0|1,0,0]=3 2777 B6R0.6 N=CCOCCO Amb24407453 [1,1,0,0,0,0|1,0,1]=4 2778 B6R0.6 O=C=CCCCCl Amb25084548 [1,1,0,0,0,0|1,0,1]=4 2779 B6R0.6 O=CC=C=CC=O Amb25690570 [1,1,0,0,0,0|0,0,2]=4 2780 B6R0.6 O=CCCCC#C Amb17593060 [1,1,0,0,0,0|1,0,1]=4 2781 B6R0.6 O=CCCCCBr Amb18126353 [1,1,0,0,0,0|1,0,1]=4 2782 B6R0.6 O=CCCCCCl Amb18123550 [1,1,0,0,0,0|1,0,1]=4 2783 B6R0.6 O=CCCCCF Amb25725976 [1,1,0,0,0,0|1,0,1]=4 2784 B6R0.6 O=CCCCCI Amb24707459 [1,1,0,0,0,0|1,0,1]=4 2785 B6R0.6 O=CCCN=C=S Amb25081456 [1,1,0,0,0,0|0,1,1]=4 2786 B6R0.6 O=CCCNC=O Amb25087053 [1,1,0,0,0,0|0,0,0]=2 2787 B6R0.6 O=CCC\C=C\Br Amb24479765 [1,1,0,0,0,0|1,0,0]=3 2788 B6R0.6 O=CCC\C=C\C Amb17593074 [1,1,0,0,0,0|1,0,0]=3 2789 B6R0.6 O=CCNCC=O Amb24384445 [1,1,0,0,0,0|0,0,0]=2 2790 B6R0.6 O=CCOCC=O Amb18121758 [1,1,0,0,0,0|0,0,0]=2 2791 B6R0.6 O=CCOCCCl Amb24665263 [1,1,0,0,0,0|1,0,1]=4 2792 B6R0.6 O=CCSCC=O Amb18641963 [1,1,0,0,0,0|0,0,0]=2 2793 B6R0.6 O=CC\C=C\C=O Amb17593064 [1,1,0,0,0,0|0,0,1]=3 2794 B6R0.6 O=CNCCCBr Amb25745639 [1,1,0,0,0,0|1,0,1]=4 2795 B6R0.6 O=CNCCCF Amb25092168 [1,1,0,0,0,0|1,0,1]=4 2796 B6R0.6 O=CNCCCS Amb24659838 [1,1,0,0,0,0|0,1,1]=4 2797 B6R0.6 O=COCCCBr Amb25725047 [1,1,0,0,0,0|1,0,1]=4 2798 B6R0.6 O=COCCCCl Amb24427057 [1,1,0,0,0,0|1,0,1]=4 2799 B6R0.6 O=COCCCF Amb22008204 [1,1,0,0,0,0|1,0,1]=4 2800 B6R0.6 O=COCCCI Amb25839622 [1,1,0,0,0,0|1,0,1]=4 2801 B6R0.6 O=CO[Cu]OC=O Amb19930224 [1,1,0,0,0,0|2,0,0]=4 2802 B6R0.6 O=CO[Cu]OC=O Amb22338735 [1,1,0,0,0,0|2,0,0]=4 2803 B6R0.6 O=C\C=C\C=C=O Amb25024653 [1,1,0,0,0,0|0,0,2]=4 2804 B6R0.6 O=C\C=C\NC=O Amb24427624 [1,1,0,0,0,0|0,0,2]=4 2805 B6R0.6 OCCCC=C=C Amb10605300 [1,1,0,0,0,0|1,0,1]=4 2806 B6R0.6 OCCCCC=O Amb10603837 [1,1,0,0,0,0|0,0,1]=3 2807 B6R0.6 OCCCOC=O Amb24733886 [1,1,0,0,0,0|0,0,1]=3 2808 B6R0.6 OCCOCC=O Amb24060822 [1,1,0,0,0,0|0,0,1]=3 2809 B6R0.6 OCCSCC=O Amb24525990 [1,1,0,0,0,0|0,0,1]=3 2810 B6R0.6 OCC\C=C\C=O Amb18119862 [1,1,0,0,0,0|0,0,2]=4 2811 B6R0.6 O\C=C\C=C/C=O Amb25804174 [1,1,0,0,0,0|0,0,2]=4 2812 B6R0.6 O\C=C\CCCO Amb24480597 [1,1,0,0,0,0|0,0,2]=4 2813 B6R0.6 O\N=C/CCCCl Amb25295218 [1,1,0,0,0,0|1,0,1]=4 2814 B6R0.6 O\N=C\C=CC=O Amb25326694 [1,1,0,0,0,0|0,0,2]=4 2815 B8R0.2 C=C(C=C)[C@H](N)C(O)=O Amb24580353 [0,2,0,0,0,0|1,0,1]=4 2816 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [0,2,0,0,0,0|1,0,0]=3 2817 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [0,2,0,0,0,0|1,0,0]=3 2818 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [0,2,0,0,0,0|1,0,0]=3 2819 B8R0.2 CC(=O)C(=C)C(C)C=O Amb18642419 [0,2,0,0,0,0|1,0,1]=4 2820 B8R0.2 CC(=O)C(O)C(O)C=O Amb24633454 [0,2,0,0,0,0|1,0,0]=3 2821 B8R0.2 CC(=O)[C@@H](O)[C@@H](O)C=O Amb25032290 [0,2,0,0,0,0|1,0,0]=3 2822 B8R0.2 CC(C#C)C(N)C(O)=O Amb25726710 [0,2,0,0,0,0|1,0,1]=4 2823 B8R0.2 CC(C#C)C(O)C(O)=O Amb24417906 [0,2,0,0,0,0|1,0,1]=4 2824 B8R0.2 CC(C(C)C#C)C(O)=O Amb25848905 [0,2,0,0,0,0|1,0,1]=4 2825 B8R0.2 CC(C(C)C#N)C(O)=O Amb25062368 [0,2,0,0,0,0|1,0,1]=4 2826 B8R0.2 CC(C(C)C=C)C(C)=O Amb25732466 [0,2,0,0,0,0|2,0,0]=4 2827 B8R0.2 CC(C(C)C=C)C(O)=O Amb18642611 [0,2,0,0,0,0|1,0,0]=3 2828 B8R0.2 CC(C(C)C=O)C(C)=C Amb24750490 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.2 CC(C(C)C=O)C(O)=O Amb24468282 [0,2,0,0,0,0|0,0,0]=2 2830 B8R0.2 CC(C(F)CC)C(O)=O Amb25836213 [0,2,0,0,0,0|1,0,1]=4 2831 B8R0.2 CC(C(N)CC)C(O)=O Amb18832531 [0,2,0,0,0,0|1,0,1]=4 2832 B8R0.2 CC(C(N)CN)C(O)=O Amb24532823 [0,2,0,0,0,0|1,0,1]=4 2833 B8R0.2 CC(C(O)=O)=C(Br)C=O Amb24571694 [0,2,0,0,0,0|0,0,2]=4 2834 B8R0.2 CC(C(O)=O)N(C)C=O Amb18284942 [0,2,0,0,0,0|1,0,0]=3 2835 B8R0.2 CC(C(O)=O)N(C)N=O Amb25041960 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.2 CC(C(O)C#C)C(O)=O Amb25123215 [0,2,0,0,0,0|1,0,1]=4 2837 B8R0.2 CC(C(O)C=C)C(O)=O Amb18642774 [0,2,0,0,0,0|1,0,0]=3 2838 B8R0.2 CC(C=C)C(Br)C(O)=O Amb25102712 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.2 CC(C=C)C(F)C(C)=O Amb25839816 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.2 CC(C=C)C(F)C(O)=O Amb24426918 [0,2,0,0,0,0|1,0,0]=3 2841 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [0,2,0,0,0,0|1,0,0]=3 2842 B8R0.2 CC(C=C)C(O)C(O)=O Amb18642750 [0,2,0,0,0,0|1,0,0]=3 2843 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [0,2,0,0,0,0|0,0,0]=2 2844 B8R0.2 CC(C=O)N(C)C(C)=O Amb25188968 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.2 CC(CC)C(O)C(O)=O Amb18288809 [0,2,0,0,0,0|1,0,1]=4 2846 B8R0.2 CC(CC)C([15NH2])C(O)=O Amb22732430 [0,2,0,0,0,0|1,0,1]=4 2847 B8R0.2 CC(CC)[C@@H](Br)C(O)=O Amb25706427 [0,2,0,0,0,0|1,0,1]=4 2848 B8R0.2 CC(CC)[C@@H](Cl)C(O)=O Amb25360795 [0,2,0,0,0,0|1,0,1]=4 2849 B8R0.2 CC(CC)[C@@H](O)C(O)=O Amb25083795 [0,2,0,0,0,0|1,0,1]=4 2850 B8R0.2 CC(CC)[C@H](F)C(O)=O Amb25679990 [0,2,0,0,0,0|1,0,1]=4 2851 B8R0.2 CC(CC)[C@H](O)C(O)=O Amb24700212 [0,2,0,0,0,0|1,0,1]=4 2852 B8R0.2 CC(CCl)[C@H](N)C(O)=O Amb24458196 [0,2,0,0,0,0|1,0,1]=4 2853 B8R0.2 CC(CF)C(N)C(O)=O Amb25223334 [0,2,0,0,0,0|1,0,1]=4 2854 B8R0.2 CC(CN)C(N)C(O)=O Amb25824065 [0,2,0,0,0,0|1,0,1]=4 2855 B8R0.2 CC(CN)C(O)C(O)=O Amb18642919 [0,2,0,0,0,0|1,0,1]=4 2856 B8R0.2 CC(NC)C(N)C(O)=O Amb18642890 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.2 CC(NC)C(O)C(O)=O Amb24477689 [0,2,0,0,0,0|2,0,0]=4 2858 B8R0.2 CC(O)C(O)C(O)C=O Amb24711583 [0,2,0,0,0,0|1,0,1]=4 2859 B8R0.2 CC(OC)[C@@H](N)C(O)=O Amb25733335 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.2 CC(SC)C(N)C(O)=O Amb22228563 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.2 CCC(Br)C(Br)C(O)=O Amb24478770 [0,2,0,0,0,0|1,0,1]=4 2862 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [0,2,0,0,0,0|1,0,1]=4 2863 B8R0.2 CCC(C(C(=O)O)Cl)C Amb17593752 [0,2,0,0,0,0|1,0,1]=4 2864 B8R0.2 CCC(C)C(C)C(O)=O Amb18290719 [0,2,0,0,0,0|1,0,1]=4 2865 B8R0.2 CCC(F)C(N)C(O)=O Amb24764202 [0,2,0,0,0,0|1,0,1]=4 2866 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [0,2,0,0,0,0|1,0,1]=4 2867 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [0,2,0,0,0,0|1,0,1]=4 2868 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [0,2,0,0,0,0|1,0,1]=4 2869 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [0,2,0,0,0,0|1,0,1]=4 2870 B8R0.2 CCC(S)C(N)C(O)=O Amb24365228 [0,2,0,0,0,0|1,0,1]=4 2871 B8R0.2 CCC(S)[C@@H](N)C(O)=O Amb24604283 [0,2,0,0,0,0|1,0,1]=4 2872 B8R0.2 CCC([C@@H](C(=O)O)C)C Amb10844495 [0,2,0,0,0,0|1,0,1]=4 2873 B8R0.2 CCC([C@@H](C(=O)O)N)C Amb10844501 [0,2,0,0,0,0|1,0,1]=4 2874 B8R0.2 CCC([C@H](C(=O)O)N)C Amb10844500 [0,2,0,0,0,0|1,0,1]=4 2875 B8R0.2 CC[C@@H](N)[C@H](O)C(O)=O Amb22831530 [0,2,0,0,0,0|1,0,1]=4 2876 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [0,2,0,0,0,0|1,0,1]=4 2877 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [0,2,0,0,0,0|1,0,1]=4 2878 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [0,2,0,0,0,0|1,0,1]=4 2879 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br Amb16233350 [0,2,0,0,0,0|1,0,1]=4 2880 B8R0.2 CC[C@@H]([C@@H](C(=O)O)C)C Amb10844498 [0,2,0,0,0,0|1,0,1]=4 2881 B8R0.2 CC[C@@H]([C@H](C(=O)O)O)C Amb10576171 [0,2,0,0,0,0|1,0,1]=4 2882 B8R0.2 CC[C@H](C)[C@@H](C)C(O)=O Amb25056174 [0,2,0,0,0,0|1,0,1]=4 2883 B8R0.2 CC[C@H](N)[C@@H](O)C(O)=O Amb24449588 [0,2,0,0,0,0|1,0,1]=4 2884 B8R0.2 CC[C@H](N)[C@H](O)C(O)=O Amb24477817 [0,2,0,0,0,0|1,0,1]=4 2885 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C Amb10068321 [0,2,0,0,0,0|1,0,1]=4 2886 B8R0.2 CN(C=O)C(O)C(O)=O Amb24069122 [0,2,0,0,0,0|1,0,0]=3 2887 B8R0.2 CNC(C)C(C)C(O)=O Amb25342967 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.2 CN[C@@H](C)[C@H](C)C(O)=O Amb25676912 [0,2,0,0,0,0|2,0,0]=4 2889 B8R0.2 COC(C(C(=O)O)Br)C Amb16233352 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.2 COC(C(C(=O)O)C)C Amb10844268 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.2 COC(C)C(N)C(O)=O Amb17938689 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.2 COC(C)[C@H](C)C(O)=O Amb25722336 [0,2,0,0,0,0|2,0,0]=4 2893 B8R0.2 CO[C@@H](C)[C@@H](C)C(O)=O Amb25263126 [0,2,0,0,0,0|2,0,0]=4 2894 B8R0.2 CO[C@@H]([C@@H](C(=O)O)N)C Amb16183892 [0,2,0,0,0,0|2,0,0]=4 2895 B8R0.2 CO[C@@H]([C@H](C(=O)O)N)C Amb10603094 [0,2,0,0,0,0|2,0,0]=4 2896 B8R0.2 CO[C@H](C)[C@H](C)C(O)=O Amb24358364 [0,2,0,0,0,0|2,0,0]=4 2897 B8R0.2 CO[C@H]([C@@H](C(=O)O)C)C Amb10844258 [0,2,0,0,0,0|2,0,0]=4 2898 B8R0.2 CSC(C)C(C)C(O)=O Amb18644375 [0,2,0,0,0,0|2,0,0]=4 2899 B8R0.2 CS[C@@H](C)[C@H](C)C(O)=O Amb24552609 [0,2,0,0,0,0|2,0,0]=4 2900 B8R0.2 C[C@@H](C#C)[C@H](N)C(O)=O Amb25783160 [0,2,0,0,0,0|1,0,1]=4 2901 B8R0.2 C[C@@H](C(O)=O)N(C)C=O Amb24558225 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [0,2,0,0,0,0|0,0,0]=2 2904 B8R0.2 C[C@@H](CC)C(Br)C(O)=O Amb24635596 [0,2,0,0,0,0|1,0,1]=4 2905 B8R0.2 C[C@@H](CC)C(F)C(O)=O Amb25042866 [0,2,0,0,0,0|1,0,1]=4 2906 B8R0.2 C[C@@H](CC)C(O)C(O)=O Amb25088995 [0,2,0,0,0,0|1,0,1]=4 2907 B8R0.2 C[C@@H](CC)[C@@H](Br)C(O)=O Amb23401386 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.2 C[C@@H](CC)[C@@H](S)C(O)=O Amb24388715 [0,2,0,0,0,0|1,0,1]=4 2909 B8R0.2 C[C@@H](CC)[C@H](Cl)C(O)=O Amb22388560 [0,2,0,0,0,0|1,0,1]=4 2910 B8R0.2 C[C@@H](CC)[C@H](N)C(O)=O Amb22351114 [0,2,0,0,0,0|1,0,1]=4 2911 B8R0.2 C[C@@H](CC)[C@H]([15NH2])C(O)=O Amb22337867 [0,2,0,0,0,0|1,0,1]=4 2912 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [0,2,0,0,0,0|0,0,2]=4 2913 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [0,2,0,0,0,0|0,0,2]=4 2914 B8R0.2 C[C@@H](NC)[C@H](N)C(O)=O Amb24477707 [0,2,0,0,0,0|2,0,0]=4 2915 B8R0.2 C[C@@H](NC)[C@H](O)C(O)=O Amb25146143 [0,2,0,0,0,0|2,0,0]=4 2916 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)C=O Amb22229972 [0,2,0,0,0,0|1,0,1]=4 2917 B8R0.2 C[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25803604 [0,2,0,0,0,0|1,0,1]=4 2918 B8R0.2 C[C@@H](OC)[C@@H](N)C(O)=O Amb23438804 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.2 C[C@@H](OC)[C@H](Cl)C(O)=O Amb25701678 [0,2,0,0,0,0|2,0,0]=4 2920 B8R0.2 C[C@@H](OC)[C@H](N)C(O)=O Amb23438882 [0,2,0,0,0,0|2,0,0]=4 2921 B8R0.2 C[C@@H](OC)[C@H](O)C(O)=O Amb25316180 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.2 C[C@@H](SC)[C@@H](N)C(O)=O Amb24666742 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.2 C[C@@H]([C@@H](C)C=C)C(O)=O Amb24721924 [0,2,0,0,0,0|1,0,0]=3 2924 B8R0.2 C[C@@H]([C@@H](C)C=O)C(O)=O Amb24470204 [0,2,0,0,0,0|0,0,0]=2 2925 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [0,2,0,0,0,0|0,0,2]=4 2926 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [0,2,0,0,0,0|1,0,1]=4 2927 B8R0.2 C[C@@H]([C@H](N)CC)C(O)=O Amb24496209 [0,2,0,0,0,0|1,0,1]=4 2928 B8R0.2 C[C@@H]([C@H](O)C=C)C(O)=O Amb24622455 [0,2,0,0,0,0|1,0,0]=3 2929 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [0,2,0,0,0,0|1,0,1]=4 2930 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [0,2,0,0,0,0|1,0,0]=3 2931 B8R0.2 C[C@H](C=C)[C@H](Br)C(O)=O Amb25074908 [0,2,0,0,0,0|1,0,0]=3 2932 B8R0.2 C[C@H](C=C)[C@H](Cl)C(O)=O Amb24361246 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.2 C[C@H](C=C)[C@H](F)C(O)=O Amb25138124 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.2 C[C@H](C=O)[C@@H](O)C(C)=O Amb25768475 [0,2,0,0,0,0|1,0,0]=3 2935 B8R0.2 C[C@H](CC)C(N)C(O)=O Amb25206861 [0,2,0,0,0,0|1,0,1]=4 2936 B8R0.2 C[C@H](CC)[C@@H](Br)C(O)=O Amb24415133 [0,2,0,0,0,0|1,0,1]=4 2937 B8R0.2 C[C@H](CC)[C@H](Cl)C(O)=O Amb25147095 [0,2,0,0,0,0|1,0,1]=4 2938 B8R0.2 C[C@H](CC)[C@H](O)C(O)=O Amb25703176 [0,2,0,0,0,0|1,0,1]=4 2939 B8R0.2 C[C@H](NC)[C@H](O)C(O)=O Amb25755974 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)C=O Amb24741570 [0,2,0,0,0,0|1,0,1]=4 2941 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O Amb22229973 [0,2,0,0,0,0|1,0,1]=4 2942 B8R0.2 C[C@H](OC)[C@@H](Br)C(O)=O Amb24480242 [0,2,0,0,0,0|2,0,0]=4 2943 B8R0.2 C[C@H](OC)[C@@H](O)C(O)=O Amb25140960 [0,2,0,0,0,0|2,0,0]=4 2944 B8R0.2 C[C@H]([C@H](C)C=C)C(C)=O Amb25266896 [0,2,0,0,0,0|2,0,0]=4 2945 B8R0.2 C[C@H]([C@H](C)C=C)C(O)=O Amb24528497 [0,2,0,0,0,0|1,0,0]=3 2946 B8R0.2 C[C@H]([C@H](N)CC)C(O)=O Amb25737884 [0,2,0,0,0,0|1,0,1]=4 2947 B8R0.2 C\C(=C/C)\C(N)C(O)=O Amb18642706 [0,2,0,0,0,0|1,0,1]=4 2948 B8R0.2 C\C(=C/C)\[C@@H](N)C(O)=O Amb24695637 [0,2,0,0,0,0|1,0,1]=4 2949 B8R0.2 C\C(=C\C)\C(O)C(O)=O Amb24495368 [0,2,0,0,0,0|1,0,1]=4 2950 B8R0.2 C\C(\C(O)=O)=C(\Br)/C=O Amb25200989 [0,2,0,0,0,0|0,0,2]=4 2951 B8R0.2 ClCC(C(C(=O)O)O)O Amb17593871 [0,2,0,0,0,0|1,0,1]=4 2952 B8R0.2 FC[C@H]([C@@H](C(=O)O)N)O Amb13883676 [0,2,0,0,0,0|1,0,1]=4 2953 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [0,2,0,0,0,0|0,0,2]=4 2954 B8R0.2 NC(CF)C(F)C(O)=O Amb24340267 [0,2,0,0,0,0|1,0,1]=4 2955 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [0,2,0,0,0,0|0,0,2]=4 2956 B8R0.2 NC[C@@H](F)[C@@H](F)C(O)=O Amb25366211 [0,2,0,0,0,0|1,0,1]=4 2957 B8R0.2 NC[C@@H](F)[C@H](F)C(O)=O Amb24452574 [0,2,0,0,0,0|1,0,1]=4 2958 B8R0.2 NC[C@H](O)[C@@H](O)C(O)=O Amb25323660 [0,2,0,0,0,0|1,0,1]=4 2959 B8R0.2 NC[C@H](O)[C@H](O)C(O)=O Amb25242625 [0,2,0,0,0,0|1,0,1]=4 2960 B8R0.2 N[C@@H](C(O)CBr)C(O)=O Amb24391545 [0,2,0,0,0,0|1,0,1]=4 2961 B8R0.2 N[C@@H](C(O)CF)C(O)=O Amb24426022 [0,2,0,0,0,0|1,0,1]=4 2962 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [0,2,0,0,0,0|0,0,2]=4 2963 B8R0.2 N[C@@H]([C@@H](O)CBr)C(O)=O Amb24480277 [0,2,0,0,0,0|1,0,1]=4 2964 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [0,2,0,0,0,0|0,0,2]=4 2965 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [0,2,0,0,0,0|0,0,2]=4 2966 B8R0.2 N[C@@H]([C@H](O)CCl)C(O)=O Amb25324441 [0,2,0,0,0,0|1,0,1]=4 2967 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [0,2,0,0,0,0|0,0,2]=4 2968 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [0,2,0,0,0,0|0,0,2]=4 2969 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [0,2,0,0,0,0|0,0,2]=4 2970 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [0,2,0,0,0,0|0,0,2]=4 2971 B8R0.2 O=C[C@@H]([C@@H]([C@H](O)C)O)O Amb10602917 [0,2,0,0,0,0|1,0,1]=4 2972 B8R0.2 O=C\C(=C(\C(=O)O)/Br)\Br Amb1981387 [0,2,0,0,0,0|0,0,2]=4 2973 B8R0.2 OC(=O)C(=O)C(Br)C=O Amb25074432 [0,2,0,0,0,0|0,0,1]=3 2974 B8R0.2 OC(=O)C(=O)C(Cl)C=O Amb25363255 [0,2,0,0,0,0|0,0,1]=3 2975 B8R0.2 OC(=O)C(Br)C(Br)CBr Amb22347644 [0,2,0,0,0,0|1,0,1]=4 2976 B8R0.2 OC(=O)C(Cl)=C(Br)C=O Amb24591769 [0,2,0,0,0,0|0,0,2]=4 2977 B8R0.2 OC(=O)C(O)=C(Cl)C=O Amb24518465 [0,2,0,0,0,0|0,0,2]=4 2978 B8R0.2 OC(=O)\C(\Cl)=C(/Cl)\C=O Amb18602727 [0,2,0,0,0,0|0,0,2]=4 2979 B8R0.2 OC(=O)\C(\Cl)=C(\Br)/C=O Amb18657499 [0,2,0,0,0,0|0,0,2]=4 2980 B8R0.2 OC(=O)\C(\O)=C(\Cl)/C=O Amb25361999 [0,2,0,0,0,0|0,0,2]=4 2981 B8R0.2 OC(C(O)C=O)C(O)=O Amb18124399 [0,2,0,0,0,0|0,0,0]=2 2982 B8R0.2 OC(C(O)CBr)C(O)=O Amb24358122 [0,2,0,0,0,0|1,0,1]=4 2983 B8R0.2 OC(CF)C(Br)C(O)=O Amb25733261 [0,2,0,0,0,0|1,0,1]=4 2984 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [0,2,0,0,0,0|0,0,2]=4 2985 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [0,2,0,0,0,0|0,0,2]=4 2986 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [0,2,0,0,0,0|0,0,2]=4 2987 B8R0.2 O[C@@H]([C@H](O)CBr)C(O)=O Amb24426113 [0,2,0,0,0,0|1,0,1]=4 2988 B8R0.2 O[C@@H]([C@H](O)CCl)C(O)=O Amb25836734 [0,2,0,0,0,0|1,0,1]=4 2989 B8R0.2 SCC(C(C(=O)O)C)C Amb17593702 [0,2,0,0,0,0|0,1,1]=4 2990 B8R0.2 [14CH3][14CH]([14CH2][14CH3])[14CH](N)[14C](O)=O Amb22362774 [0,2,0,0,0,0|1,0,1]=4 2991 B8R0.5 C#CCS(=O)CC(O)=O Amb24417332 [0,2,0,0,0,0|1,0,1]=4 2992 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb22746284 [0,2,0,0,0,0|1,0,1]=4 2993 B8R0.5 C#CC[C@@H](N)CC(O)=O Amb24539924 [0,2,0,0,0,0|1,0,1]=4 2994 B8R0.5 C#CC[C@H](N)CC(O)=O Amb22226648 [0,2,0,0,0,0|1,0,1]=4 2995 B8R0.5 C#CC[C@H](N)CC(O)=O Amb24642007 [0,2,0,0,0,0|1,0,1]=4 2996 B8R0.5 C=C(CC=C)CC(O)=O Amb25261334 [0,2,0,0,0,0|1,0,0]=3 2997 B8R0.5 C=C=CC(N)CC(O)=O Amb24476615 [0,2,0,0,0,0|1,0,0]=3 2998 B8R0.5 C=CCC(CC(=O)C)C Amb17593320 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.5 C=CCC(N)CC(O)=O Amb22641964 [0,2,0,0,0,0|1,0,0]=3 3000 B8R0.5 C=CCC(O)CC(O)=O Amb18642785 [0,2,0,0,0,0|1,0,0]=3 3001 B8R0.5 C=CCS(=O)CC(=O)O Amb10608086 [0,2,0,0,0,0|1,0,0]=3 3002 B8R0.5 C=CC[C@@H](CC(=O)O)C Amb10844371 [0,2,0,0,0,0|1,0,0]=3 3003 B8R0.5 C=CC[C@@H](N)CC(O)=O Amb22746166 [0,2,0,0,0,0|1,0,0]=3 3004 B8R0.5 C=CC[C@@H](O)CC(N)=O Amb24680790 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.5 C=CC[C@H](CC(=O)O)C Amb10844336 [0,2,0,0,0,0|1,0,0]=3 3006 B8R0.5 CC(=O)CC(=O)NC=O Amb24096615 [0,2,0,0,0,0|1,0,1]=4 3007 B8R0.5 CC(=O)CN(C)CC=C Amb24752867 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.5 CC(CC#N)CC(O)=O Amb18642506 [0,2,0,0,0,0|1,0,1]=4 3009 B8R0.5 CC(CC(C)=O)NC=O Amb24477804 [0,2,0,0,0,0|1,0,0]=3 3010 B8R0.5 CC(CC(C)O)NC=O Amb25286121 [0,2,0,0,0,0|1,0,1]=4 3011 B8R0.5 CC(CC(O)=O)NC=O Amb18967805 [0,2,0,0,0,0|0,0,0]=2 3012 B8R0.5 CC(CC=C)CC(O)=O Amb18642628 [0,2,0,0,0,0|1,0,0]=3 3013 B8R0.5 CC(CC=C)NC(N)=O Amb24412410 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.5 CC(CC=O)C=C(C)C Amb25289294 [0,2,0,0,0,0|2,0,0]=4 3015 B8R0.5 CC(CC=O)CC(C)=C Amb18642471 [0,2,0,0,0,0|2,0,0]=4 3016 B8R0.5 CC(CC=O)CC(C)O Amb25858195 [0,2,0,0,0,0|1,0,1]=4 3017 B8R0.5 CC(CC=O)NC(C)=O Amb25705280 [0,2,0,0,0,0|1,0,0]=3 3018 B8R0.5 CC(CC=O)OC(C)=O Amb18642743 [0,2,0,0,0,0|1,0,0]=3 3019 B8R0.5 CC(CCF)CC(O)=O Amb24477914 [0,2,0,0,0,0|1,0,1]=4 3020 B8R0.5 CC(CCN)CC(O)=O Amb20667689 [0,2,0,0,0,0|1,0,1]=4 3021 B8R0.5 CC(CCN)CC(O)=O Amb24376646 [0,2,0,0,0,0|1,0,1]=4 3022 B8R0.5 CC(CCO)CC(O)=O Amb18642882 [0,2,0,0,0,0|0,0,2]=4 3023 B8R0.5 CC(CS(C)=O)NC=O Amb24481743 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.5 CC(NC=O)NC(C)=O Amb24417795 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.5 CC(NC=O)OC(C)=O Amb25146131 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.5 CC(NCC)CC(=O)O Amb13952759 [0,2,0,0,0,0|1,0,1]=4 3027 B8R0.5 CC(O)CC(O)CC=O Amb25032311 [0,2,0,0,0,0|1,0,1]=4 3028 B8R0.5 CCCC(=C)CC(O)=O Amb18642622 [0,2,0,0,0,0|1,0,1]=4 3029 B8R0.5 CCCC(Br)CC(O)=O Amb18127175 [0,2,0,0,0,0|1,0,1]=4 3030 B8R0.5 CCCC(CC(=O)O)N Amb1993864 [0,2,0,0,0,0|1,0,1]=4 3031 B8R0.5 CCCC(N)CC(O)=O Amb21961469 [0,2,0,0,0,0|1,0,1]=4 3032 B8R0.5 CCCN(C)CC(O)=O Amb19373314 [0,2,0,0,0,0|1,0,1]=4 3033 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,2,0,0,0,0|1,0,1]=4 3034 B8R0.5 CCC[C@@H](C)CC(O)=O Amb24622486 [0,2,0,0,0,0|1,0,1]=4 3035 B8R0.5 CCC[C@@H](CC(=O)O)C Amb10844381 [0,2,0,0,0,0|1,0,1]=4 3036 B8R0.5 CCC[C@@H](N)CC(O)=O Amb22225223 [0,2,0,0,0,0|1,0,1]=4 3037 B8R0.5 CCC[C@@H](N)CC(O)=O Amb24739278 [0,2,0,0,0,0|1,0,1]=4 3038 B8R0.5 CCC[C@@H](O)CC(O)=O Amb25188904 [0,2,0,0,0,0|1,0,1]=4 3039 B8R0.5 CCC[C@H](N)CC(O)=O Amb22226359 [0,2,0,0,0,0|1,0,1]=4 3040 B8R0.5 CCC[C@H](O)CC(O)=O Amb25367955 [0,2,0,0,0,0|1,0,1]=4 3041 B8R0.5 CCO[C@H](C)CC(O)=O Amb24395833 [0,2,0,0,0,0|1,0,1]=4 3042 B8R0.5 CN(CCCl)CC(O)=O Amb25829318 [0,2,0,0,0,0|1,0,1]=4 3043 B8R0.5 CN(CCF)CC(O)=O Amb25760005 [0,2,0,0,0,0|1,0,1]=4 3044 B8R0.5 CN(CCN)CC(O)=O Amb18313585 [0,2,0,0,0,0|1,0,1]=4 3045 B8R0.5 CNCC(C)CC(O)=O Amb25284797 [0,2,0,0,0,0|1,0,1]=4 3046 B8R0.5 COCC(=O)CC(O)=O Amb24093174 [0,2,0,0,0,0|2,0,0]=4 3047 B8R0.5 COCC(C)CC(O)=O Amb19024342 [0,2,0,0,0,0|0,0,2]=4 3048 B8R0.5 COCC(Cl)CC(O)=O Amb24627002 [0,2,0,0,0,0|0,0,2]=4 3049 B8R0.5 COCC(O)CC(O)=O Amb18832518 [0,2,0,0,0,0|0,0,2]=4 3050 B8R0.5 COC[C@@H](C)CC(O)=O Amb25064328 [0,2,0,0,0,0|0,0,2]=4 3051 B8R0.5 CSCC(Cl)CC(O)=O Amb18126320 [0,2,0,0,0,0|0,1,1]=4 3052 B8R0.5 CSCC(O)CC(O)=O Amb24621046 [0,2,0,0,0,0|0,1,1]=4 3053 B8R0.5 CSSC(C)CC(O)=O Amb25241180 [0,2,0,0,0,0|1,1,0]=4 3054 B8R0.5 C[C@@H](CCN)CC(O)=O Amb25318051 [0,2,0,0,0,0|1,0,1]=4 3055 B8R0.5 C[C@@H](CCO)CC(O)=O Amb24699186 [0,2,0,0,0,0|0,0,2]=4 3056 B8R0.5 C[C@@H](O)C[C@@H](O)CC=O Amb24631653 [0,2,0,0,0,0|1,0,1]=4 3057 B8R0.5 C[C@H](CC=O)CC(C)=C Amb25680323 [0,2,0,0,0,0|2,0,0]=4 3058 B8R0.5 C\C(\CC(O)=O)=C/CC Amb25087318 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.5 C\C(\CC(O)=O)=C\CC Amb24562251 [0,2,0,0,0,0|1,0,1]=4 3060 B8R0.5 C\C(\CC(O)=O)=C\CS Amb18124785 [0,2,0,0,0,0|0,1,1]=4 3061 B8R0.5 C\C(\CC=C)=C\C(O)=O Amb25810544 [0,2,0,0,0,0|1,0,1]=4 3062 B8R0.5 C\C=C\C(C)CC(C)=O Amb25211017 [0,2,0,0,0,0|2,0,0]=4 3063 B8R0.5 C\C=C\C(C)CC(O)=O Amb24731262 [0,2,0,0,0,0|1,0,0]=3 3064 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [0,2,0,0,0,0|2,0,0]=4 3065 B8R0.5 C\C=C\C(O)CC(C)=O Amb24676886 [0,2,0,0,0,0|2,0,0]=4 3066 B8R0.5 C\C=C\C(O)CC(N)=O Amb24567413 [0,2,0,0,0,0|2,0,0]=4 3067 B8R0.5 C\C=C\[C@@H](C)CC(O)=O Amb25343237 [0,2,0,0,0,0|1,0,0]=3 3068 B8R0.5 C\C=C\[C@@H](O)CC(C)=O Amb25143519 [0,2,0,0,0,0|2,0,0]=4 3069 B8R0.5 C\C=C\[C@H](O)CC(O)=O Amb25312045 [0,2,0,0,0,0|1,0,0]=3 3070 B8R0.5 N#CCC(Br)CC(O)=O Amb25211652 [0,2,0,0,0,0|1,0,1]=4 3071 B8R0.5 N#CCS(=O)CC(O)=O Amb18984975 [0,2,0,0,0,0|1,0,1]=4 3072 B8R0.5 N#CC[C@H](O)CC(O)=O Amb25294743 [0,2,0,0,0,0|1,0,1]=4 3073 B8R0.5 NCCS(=O)CC(O)=O Amb25124054 [0,2,0,0,0,0|1,0,1]=4 3074 B8R0.5 NCC[C@@H](CC(=O)O)N Amb10067021 [0,2,0,0,0,0|1,0,1]=4 3075 B8R0.5 NCC[C@H](CC(=O)O)N Amb10067019 [0,2,0,0,0,0|1,0,1]=4 3076 B8R0.5 N[C@@H](CCO)CC(O)=O Amb25851007 [0,2,0,0,0,0|0,0,2]=4 3077 B8R0.5 OC(=O)CS(=O)CCF Amb25094766 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.16 C=CC(CC(O)=O)C=C Amb18642422 [0,2,0,0,0,0|1,0,0]=3 3079 B8R0.16 C=CC(CC(O)=O)CO Amb25690344 [0,2,0,0,0,0|1,0,0]=3 3080 B8R0.16 C=C[C@H](CC(O)=O)CO Amb24534457 [0,2,0,0,0,0|1,0,0]=3 3081 B8R0.16 CC(=O)CC(C=C)C=C Amb25371536 [0,2,0,0,0,0|2,0,0]=4 3082 B8R0.16 CC(=O)CC(C=O)C=O Amb25767018 [0,2,0,0,0,0|1,0,0]=3 3083 B8R0.16 CC(=O)CN(C=O)C=O Amb24429291 [0,2,0,0,0,0|2,0,0]=4 3084 B8R0.16 CC(=O)N[C@@H](CO)C=O Amb24761306 [0,2,0,0,0,0|2,0,0]=4 3085 B8R0.16 CC(=O)N[C@H](CO)C=O Amb25145985 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.16 CC(O)CC(CC)C=O Amb24669026 [0,2,0,0,0,0|1,0,1]=4 3087 B8R0.16 CCC(C=O)OC(C)=O Amb18642754 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.16 CCC(CC(=C)Cl)C=O Amb25689367 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.16 CCC(CC(C)=C)C=O Amb24636947 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.16 CCC(CC(C)=O)C=O Amb18642641 [0,2,0,0,0,0|1,0,0]=3 3091 B8R0.16 CCC(CC(N)=O)C=C Amb25691393 [0,2,0,0,0,0|2,0,0]=4 3092 B8R0.16 CCC(CC(O)=O)C=C Amb18642661 [0,2,0,0,0,0|1,0,0]=3 3093 B8R0.16 CCC(CC(O)=O)C=O Amb25372312 [0,2,0,0,0,0|0,0,0]=2 3094 B8R0.16 CCC(CC(O)=O)CO Amb25188910 [0,2,0,0,0,0|0,0,2]=4 3095 B8R0.16 CCC(CC(O)=O)NC Amb25190337 [0,2,0,0,0,0|1,0,1]=4 3096 B8R0.16 CCC(CC(O)=O)OC Amb19037306 [0,2,0,0,0,0|1,0,1]=4 3097 B8R0.16 CCC(CC(O)=O)SC Amb18316304 [0,2,0,0,0,0|1,0,1]=4 3098 B8R0.16 CCC(CN)CC(O)=O Amb20669457 [0,2,0,0,0,0|1,0,1]=4 3099 B8R0.16 CCC(CN)CC(O)=O Amb22059482 [0,2,0,0,0,0|1,0,1]=4 3100 B8R0.16 CCN(CC(O)=O)C=O Amb18972736 [0,2,0,0,0,0|1,0,0]=3 3101 B8R0.16 CC[C@@H](C=O)NC(C)=O Amb25064294 [0,2,0,0,0,0|2,0,0]=4 3102 B8R0.16 CC[C@@H](CC(N)=O)C=C Amb24476683 [0,2,0,0,0,0|2,0,0]=4 3103 B8R0.16 CC[C@H](C=O)NC(C)=O Amb24476942 [0,2,0,0,0,0|2,0,0]=4 3104 B8R0.16 CC[C@H](CC(C)=C)C=O Amb25833659 [0,2,0,0,0,0|2,0,0]=4 3105 B8R0.16 CC[C@H](CC(C)=O)C=O Amb25687293 [0,2,0,0,0,0|1,0,0]=3 3106 B8R0.16 CC\C(\C=O)=C/C(O)=O Amb18642578 [0,2,0,0,0,0|0,0,2]=4 3107 B8R0.16 CC\C(\C=O)=C\C(O)=O Amb25770561 [0,2,0,0,0,0|0,0,2]=4 3108 B8R0.16 CC\C(\CC(O)=O)=C/C Amb18642626 [0,2,0,0,0,0|1,0,1]=4 3109 B8R0.16 COC(CC(C)=O)C=O Amb25798334 [0,2,0,0,0,0|1,0,0]=3 3110 B8R0.16 COC(CC(O)=O)C=C Amb18642791 [0,2,0,0,0,0|1,0,0]=3 3111 B8R0.16 COC(CC(O)=O)CO Amb25738299 [0,2,0,0,0,0|0,0,2]=4 3112 B8R0.16 COC(CC(O)=O)OC Amb22231899 [0,2,0,0,0,0|2,0,0]=4 3113 B8R0.16 CO[C@H](CC(C)=C)C=O Amb25370693 [0,2,0,0,0,0|2,0,0]=4 3114 B8R0.16 CO[C@H](CC(O)=O)C#C Amb25773997 [0,2,0,0,0,0|1,0,1]=4 3115 B8R0.16 N#CC(CC(O)=O)C#N Amb25228388 [0,2,0,0,0,0|1,0,1]=4 3116 B8R0.16 NCC(CC(O)=O)CO Amb22546422 [0,2,0,0,0,0|0,0,2]=4 3117 B8R0.16 NC[C@@H](CS)CC(O)=O Amb24562843 [0,2,0,0,0,0|0,1,1]=4 3118 B8R0.16 NC[C@H](CS)CC(O)=O Amb24598331 [0,2,0,0,0,0|0,1,1]=4 3119 B8R0.16 OC(=O)CC(C=O)C=O Amb24577569 [0,2,0,0,0,0|0,0,0]=2 3120 B8R0.16 OC(=O)\C=C(\CCl)/C=O Amb24656100 [0,2,0,0,0,0|0,0,2]=4 3121 B8R0.19 C=CC(O)CC(=O)C#C Amb25059247 [0,2,0,0,0,0|2,0,0]=4 3122 B8R0.19 CC(C#N)CC(=O)OC Amb17334095 [0,2,0,0,0,0|1,0,1]=4 3123 B8R0.19 CC(CC(=C)C=O)C=O Amb24334526 [0,2,0,0,0,0|1,0,0]=3 3124 B8R0.19 CC(CC(=O)C=C)C=C Amb25730035 [0,2,0,0,0,0|2,0,0]=4 3125 B8R0.19 CC(CC(=O)OC)=CBr Amb24635219 [0,2,0,0,0,0|1,0,1]=4 3126 B8R0.19 CC(CC(=O)OC)=CC Amb25215730 [0,2,0,0,0,0|1,0,1]=4 3127 B8R0.19 CC(CC(=O)OC)=CCl Amb24511859 [0,2,0,0,0,0|1,0,1]=4 3128 B8R0.19 CC(CC(C)C=O)C=O Amb18642647 [0,2,0,0,0,0|1,0,1]=4 3129 B8R0.19 CC(CO)CC(C)C=O Amb24340208 [0,2,0,0,0,0|1,0,1]=4 3130 B8R0.19 CC(\C=C(/C)\C=O)C=O Amb24418486 [0,2,0,0,0,0|1,0,1]=4 3131 B8R0.19 CCC(=O)CC(C)C=O Amb18642639 [0,2,0,0,0,0|1,0,0]=3 3132 B8R0.19 CCC(=O)OC(C)C=O Amb18642752 [0,2,0,0,0,0|2,0,0]=4 3133 B8R0.19 CCC(=O)O[C@@H](C)C=O Amb25224396 [0,2,0,0,0,0|2,0,0]=4 3134 B8R0.19 CCC(C)CC(=O)OC Amb22352867 [0,2,0,0,0,0|1,0,1]=4 3135 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [0,2,0,0,0,0|1,0,1]=4 3136 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [0,2,0,0,0,0|1,0,1]=4 3137 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [0,2,0,0,0,0|1,0,1]=4 3138 B8R0.19 CCC(O)CC(O)C=O Amb25770125 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [0,2,0,0,0,0|1,0,1]=4 3140 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [0,2,0,0,0,0|1,0,1]=4 3141 B8R0.19 CC[C@H](Cl)CC(=O)OC Amb25074562 [0,2,0,0,0,0|1,0,1]=4 3142 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [0,2,0,0,0,0|1,0,1]=4 3143 B8R0.19 CN(N=O)CC(=O)OC Amb17618624 [0,2,0,0,0,0|2,0,0]=4 3144 B8R0.19 COC(=O)CC(=C)C=O Amb24434902 [0,2,0,0,0,0|0,0,1]=3 3145 B8R0.19 COC(=O)CC(=O)C=C Amb17593339 [0,2,0,0,0,0|1,0,1]=4 3146 B8R0.19 COC(=O)CC(=O)C=O Amb25827200 [0,2,0,0,0,0|0,0,1]=3 3147 B8R0.19 COC(=O)CC(Br)C=O Amb18647814 [0,2,0,0,0,0|0,0,0]=2 3148 B8R0.19 COC(=O)CC(Br)CF Amb24627105 [0,2,0,0,0,0|1,0,1]=4 3149 B8R0.19 COC(=O)CC(C)C=C Amb24712566 [0,2,0,0,0,0|1,0,0]=3 3150 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [0,2,0,0,0,0|0,0,0]=2 3151 B8R0.19 COC(=O)CC(C)CBr Amb24692917 [0,2,0,0,0,0|1,0,1]=4 3152 B8R0.19 COC(=O)CC(C)CN Amb18642843 [0,2,0,0,0,0|1,0,1]=4 3153 B8R0.19 COC(=O)CC(C)CO Amb24729571 [0,2,0,0,0,0|0,0,2]=4 3154 B8R0.19 COC(=O)CC(C)NO Amb25032324 [0,2,0,0,0,0|1,0,1]=4 3155 B8R0.19 COC(=O)CC(C)SC Amb19374125 [0,2,0,0,0,0|2,0,0]=4 3156 B8R0.19 COC(=O)CC(Cl)SCl Amb24710162 [0,2,0,0,0,0|2,0,0]=4 3157 B8R0.19 COC(=O)CC(N)C=C Amb25380673 [0,2,0,0,0,0|1,0,0]=3 3158 B8R0.19 COC(=O)CC(N)CN Amb22264781 [0,2,0,0,0,0|1,0,1]=4 3159 B8R0.19 COC(=O)CC(N)CN Amb25766036 [0,2,0,0,0,0|1,0,1]=4 3160 B8R0.19 COC(=O)CC(N)CO Amb24366077 [0,2,0,0,0,0|0,0,2]=4 3161 B8R0.19 COC(=O)CC(O)C=C Amb25746682 [0,2,0,0,0,0|1,0,0]=3 3162 B8R0.19 COC(=O)CC(O)CBr Amb25201054 [0,2,0,0,0,0|1,0,1]=4 3163 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [0,2,0,0,0,0|1,0,1]=4 3164 B8R0.19 COC(=O)CC(O)CN Amb25146166 [0,2,0,0,0,0|1,0,1]=4 3165 B8R0.19 COC(=O)CC([NH3+])C[NH3+] Amb24112943 [0,2,0,0,0,0|1,0,1]=4 3166 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [0,2,0,0,0,0|1,0,0]=3 3167 B8R0.19 COC(=O)CN(C)C=O Amb22349764 [0,2,0,0,0,0|1,0,0]=3 3168 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [0,2,0,0,0,0|0,0,2]=4 3169 B8R0.19 COC(=O)C[C@@H](CO)O Amb13883661 [0,2,0,0,0,0|0,0,2]=4 3170 B8R0.19 COC(=O)C[C@@H](N)C=C Amb25704281 [0,2,0,0,0,0|1,0,0]=3 3171 B8R0.19 COC(=O)C[C@@H](O)C=C Amb24705874 [0,2,0,0,0,0|1,0,0]=3 3172 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [0,2,0,0,0,0|1,0,1]=4 3173 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [0,2,0,0,0,0|1,0,1]=4 3174 B8R0.19 COC(=O)C[C@H](C)CBr Amb25249104 [0,2,0,0,0,0|1,0,1]=4 3175 B8R0.19 COC(=O)C[C@H](N)CN Amb24360537 [0,2,0,0,0,0|1,0,1]=4 3176 B8R0.19 COC(=O)C[C@H](N)CO Amb24561636 [0,2,0,0,0,0|0,0,2]=4 3177 B8R0.19 COC(=O)C[C@H](O)C#C Amb24748370 [0,2,0,0,0,0|1,0,1]=4 3178 B8R0.19 COC(=O)C[C@H](O)C=C Amb25788939 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.19 COC(=O)NC(C)C=C Amb25294663 [0,2,0,0,0,0|2,0,0]=4 3180 B8R0.19 COC(=O)NC(C)C=O Amb24359055 [0,2,0,0,0,0|1,0,0]=3 3181 B8R0.19 COC(=O)\C=C(/Br)\C=O Amb18129838 [0,2,0,0,0,0|0,0,2]=4 3182 B8R0.19 COC(=O)\C=C(/Cl)\C=O Amb25063146 [0,2,0,0,0,0|0,0,2]=4 3183 B8R0.19 COC(=O)\C=C(\Br)/C=O Amb24513011 [0,2,0,0,0,0|0,0,2]=4 3184 B8R0.19 COC(=O)\C=C(\Cl)/C=O Amb25278210 [0,2,0,0,0,0|0,0,2]=4 3185 B8R0.19 COC(C)CC(=O)NO Amb24476739 [0,2,0,0,0,0|2,0,0]=4 3186 B8R0.19 C[C@@H](CC(=O)C=C)C=C Amb24378496 [0,2,0,0,0,0|2,0,0]=4 3187 B8R0.19 C[C@H](C[C@H](C)C=O)C=O Amb24387348 [0,2,0,0,0,0|1,0,1]=4 3188 B8R0.19 C\C(\C=O)=C/C(=O)OC Amb25702407 [0,2,0,0,0,0|0,0,2]=4 3189 B8R0.19 C\C(\C=O)=C\C(=O)OC Amb18642569 [0,2,0,0,0,0|0,0,2]=4 3190 B8R0.19 C\C(\CC(=O)OC)=C\C Amb24453303 [0,2,0,0,0,0|1,0,1]=4 3191 B8R0.19 C\C(\CC(=O)OC)=C\Cl Amb25210836 [0,2,0,0,0,0|1,0,1]=4 3192 B8R0.19 C\C=C(/C)\C[C@@H](C)C=O Amb24353179 [0,2,0,0,0,0|2,0,0]=4 3193 B8R0.19 C\C=C(/C)\C[C@H](C)C=O Amb25095170 [0,2,0,0,0,0|2,0,0]=4 3194 B8R0.19 C\C=C(\C)/CC(C)C=O Amb24709133 [0,2,0,0,0,0|2,0,0]=4 3195 B8R0.19 NCC(O)CC(=O)NO Amb25203640 [0,2,0,0,0,0|1,0,1]=4 3196 B8R0.19 OCC(O)CC(O)C=O Amb22731319 [0,2,0,0,0,0|0,0,2]=4 3197 B8R0.19 OC[C@@H](O)C[C@@H](O)C=O Amb25340462 [0,2,0,0,0,0|0,0,2]=4 3198 B8R0.19 OC[C@H](O)C[C@@H](O)C=O Amb24441617 [0,2,0,0,0,0|0,0,2]=4 3199 B8R0.19 O[C@@H](CC(=O)CO)CO Amb24387900 [0,2,0,0,0,0|0,0,2]=4 3200 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [0,2,0,0,0,0|1,0,1]=4 3201 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,2,0,0,0,0|1,0,0]=3 3202 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,2,0,0,0,0|1,0,0]=3 3203 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,2,0,0,0,0|1,0,0]=3 3204 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,2,0,0,0,0|0,0,1]=3 3205 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,2,0,0,0,0|1,0,1]=4 3206 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,2,0,0,0,0|0,0,1]=3 3207 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,2,0,0,0,0|0,0,1]=3 3208 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,2,0,0,0,0|0,0,2]=4 3209 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,2,0,0,0,0|0,0,2]=4 3210 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,2,0,0,0,0|0,0,2]=4 3211 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,2,0,0,0,0|0,0,2]=4 3212 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,2,0,0,0,0|1,0,0]=3 3213 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,2,0,0,0,0|1,0,0]=3 3214 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,2,0,0,0,0|1,0,0]=3 3215 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,2,0,0,0,0|1,0,0]=3 3216 B8R0.23 CC(=C)C(N)CC(N)=O Amb24401112 [0,2,0,0,0,0|2,0,0]=4 3217 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,2,0,0,0,0|1,0,0]=3 3218 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,2,0,0,0,0|1,0,1]=4 3219 B8R0.23 CC(=C)CC(C)C(N)=O Amb24475657 [0,2,0,0,0,0|2,0,0]=4 3220 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,2,0,0,0,0|1,0,0]=3 3221 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,2,0,0,0,0|1,0,0]=3 3222 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,2,0,0,0,0|1,0,0]=3 3223 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,2,0,0,0,0|1,0,0]=3 3224 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,2,0,0,0,0|1,0,0]=3 3225 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,2,0,0,0,0|1,0,0]=3 3226 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,2,0,0,0,0|1,0,0]=3 3227 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,2,0,0,0,0|0,0,2]=4 3228 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,2,0,0,0,0|1,0,1]=4 3229 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,2,0,0,0,0|0,0,0]=2 3230 B8R0.23 CC(=O)C(C)OC(=O)Cl Amb24721759 [0,2,0,0,0,0|2,0,0]=4 3231 B8R0.23 CC(=O)C(C)SC(C)=O Amb25833387 [0,2,0,0,0,0|2,0,0]=4 3232 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,2,0,0,0,0|0,0,0]=2 3233 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,2,0,0,0,0|1,0,0]=3 3234 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [0,2,0,0,0,0|0,0,2]=4 3235 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,2,0,0,0,0|0,0,0]=2 3236 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,2,0,0,0,0|0,0,1]=3 3237 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,2,0,0,0,0|0,0,0]=2 3238 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,2,0,0,0,0|0,1,0]=3 3239 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,2,0,0,0,0|0,0,0]=2 3240 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,2,0,0,0,0|0,0,0]=2 3241 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,2,0,0,0,0|0,0,0]=2 3242 B8R0.23 CC(=O)C[C@@H](C)C(C)=C Amb25347412 [0,2,0,0,0,0|2,0,0]=4 3243 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,2,0,0,0,0|0,0,0]=2 3244 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,2,0,0,0,0|0,0,0]=2 3245 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,2,0,0,0,0|0,0,0]=2 3246 B8R0.23 CC(=O)NC(C(=O)N)N Amb10558230 [0,2,0,0,0,0|2,0,0]=4 3247 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl Amb25032144 [0,2,0,0,0,0|2,0,0]=4 3249 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,2,0,0,0,0|2,0,0]=4 3250 B8R0.23 CC(=O)N[C@H](C)C(N)=O Amb24478101 [0,2,0,0,0,0|2,0,0]=4 3251 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,2,0,0,0,0|1,0,0]=3 3252 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,2,0,0,0,0|1,0,0]=3 3253 B8R0.23 CC(=O)O[C@@H](C)C(N)=O Amb25733380 [0,2,0,0,0,0|2,0,0]=4 3254 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,2,0,0,0,0|1,0,0]=3 3255 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,2,0,0,0,0|0,0,0]=2 3256 B8R0.23 CC(=O)[C@@H](C)OC(C)=O Amb25205804 [0,2,0,0,0,0|2,0,0]=4 3257 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,2,0,0,0,0|0,0,0]=2 3258 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,2,0,0,0,0|0,0,0]=2 3259 B8R0.23 CC(=O)[C@H](C)NC(C)=O Amb24072918 [0,2,0,0,0,0|2,0,0]=4 3260 B8R0.23 CC(=O)\C(\C)=C\C(O)=O Amb22359749 [0,2,0,0,0,0|0,0,2]=4 3261 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,2,0,0,0,0|0,0,2]=4 3262 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,2,0,0,0,0|0,0,2]=4 3263 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,2,0,0,0,0|0,0,2]=4 3264 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,2,0,0,0,0|0,0,2]=4 3265 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,2,0,0,0,0|0,1,0]=3 3266 B8R0.23 CC(=S)N[C@@H](C)C(O)=O Amb24529119 [0,2,0,0,0,0|1,1,0]=4 3267 B8R0.23 CC(C(C)C)CC(=O)O Amb10844380 [0,2,0,0,0,0|1,0,1]=4 3268 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,2,0,0,0,0|1,0,1]=4 3269 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,2,0,0,0,0|1,0,1]=4 3270 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.23 CC(C)C(F)CC(O)=O Amb25854273 [0,2,0,0,0,0|1,0,1]=4 3272 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [0,2,0,0,0,0|1,0,1]=4 3273 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [0,2,0,0,0,0|1,0,1]=4 3274 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,2,0,0,0,0|1,0,1]=4 3275 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,2,0,0,0,0|1,0,1]=4 3276 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [0,2,0,0,0,0|1,0,1]=4 3277 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,2,0,0,0,0|1,0,1]=4 3278 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,2,0,0,0,0|1,0,1]=4 3279 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,2,0,0,0,0|1,0,1]=4 3280 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [0,2,0,0,0,0|1,0,1]=4 3281 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [0,2,0,0,0,0|1,0,1]=4 3282 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [0,2,0,0,0,0|1,0,1]=4 3283 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,2,0,0,0,0|1,0,1]=4 3284 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [0,2,0,0,0,0|1,0,1]=4 3285 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [0,2,0,0,0,0|1,0,1]=4 3286 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,2,0,0,0,0|1,0,1]=4 3287 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [0,2,0,0,0,0|1,0,1]=4 3288 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [0,2,0,0,0,0|1,0,1]=4 3292 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,2,0,0,0,0|1,0,0]=3 3293 B8R0.23 CC(CC(C)=O)C(C)O Amb24339979 [0,2,0,0,0,0|1,0,1]=4 3294 B8R0.23 CC(CC(C)=O)S(C)=O Amb25712236 [0,2,0,0,0,0|2,0,0]=4 3295 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [0,2,0,0,0,0|1,0,1]=4 3296 B8R0.23 CC(CC(C)O)C(C)=O Amb25682085 [0,2,0,0,0,0|1,0,1]=4 3297 B8R0.23 CC(CC(F)F)C(O)=O Amb22896466 [0,2,0,0,0,0|1,0,1]=4 3298 B8R0.23 CC(CC(N)=O)C(N)=N Amb25325023 [0,2,0,0,0,0|2,0,0]=4 3299 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,2,0,0,0,0|1,0,1]=4 3300 B8R0.23 CC(CC(O)=O)C(C)N Amb23536744 [0,2,0,0,0,0|1,0,1]=4 3301 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,2,0,0,0,0|0,0,0]=2 3302 B8R0.23 CC(CC(O)=O)N(C)N Amb25699365 [0,2,0,0,0,0|2,0,0]=4 3303 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,2,0,0,0,0|1,0,0]=3 3304 B8R0.23 CC(CC([O-])=O)S([O-])=O Amb22470749 [0,2,0,0,0,0|1,0,1]=4 3305 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,2,0,0,0,0|1,0,1]=4 3306 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,2,0,0,0,0|1,0,0]=3 3307 B8R0.23 CC(CS([O-])=O)C([O-])=O Amb22470748 [0,2,0,0,0,0|1,0,1]=4 3308 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.23 CC(N=C(N)S)C(O)=O Amb22229340 [0,2,0,0,0,0|1,1,0]=4 3310 B8R0.23 CC(NC(=O)Cl)C(=O)Cl Amb25049171 [0,2,0,0,0,0|2,0,0]=4 3311 B8R0.23 CC(NC(N)=N)C(O)=O Amb22522920 [0,2,0,0,0,0|2,0,0]=4 3312 B8R0.23 CC(NC(S)=S)C(O)=O Amb25336384 [0,2,0,0,0,0|1,1,0]=4 3313 B8R0.23 CC(NS(C)=O)C(O)=O Amb25241916 [0,2,0,0,0,0|2,0,0]=4 3314 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,2,0,0,0,0|0,0,2]=4 3315 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [0,2,0,0,0,0|1,0,1]=4 3316 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,2,0,0,0,0|0,0,2]=4 3317 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,2,0,0,0,0|0,0,2]=4 3318 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.23 CC(OC(N)=S)C(O)=O Amb25732591 [0,2,0,0,0,0|1,1,0]=4 3320 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [0,2,0,0,0,0|0,1,1]=4 3321 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [0,2,0,0,0,0|2,0,0]=4 3322 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,2,0,0,0,0|2,0,0]=4 3323 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,2,0,0,0,0|2,0,0]=4 3324 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,2,0,0,0,0|2,0,0]=4 3325 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,2,0,0,0,0|2,0,0]=4 3326 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,2,0,0,0,0|2,0,0]=4 3327 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [0,2,0,0,0,0|2,0,0]=4 3328 B8R0.23 CN(CC(O)=O)C(N)=N Amb22002328 [0,2,0,0,0,0|2,0,0]=4 3329 B8R0.23 CN(CC(O)=O)C(N)=N Amb22167307 [0,2,0,0,0,0|2,0,0]=4 3330 B8R0.23 CN(CC(O)=O)C(N)=S Amb25115737 [0,2,0,0,0,0|1,1,0]=4 3331 B8R0.23 CN(CC(O)=O)[13C](N)=N Amb22367285 [0,2,0,0,0,0|2,0,0]=4 3332 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,2,0,0,0,0|2,0,0]=4 3333 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,2,0,0,0,0|1,0,0]=3 3334 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,2,0,0,0,0|1,0,0]=3 3335 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,2,0,0,0,0|1,0,0]=3 3336 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,2,0,0,0,0|1,0,0]=3 3337 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [0,2,0,0,0,0|1,0,1]=4 3338 B8R0.23 C[C@@H](C(C)C)CC(=O)O Amb10844387 [0,2,0,0,0,0|1,0,1]=4 3339 B8R0.23 C[C@@H](CC(O)=O)C(Cl)Cl Amb24480304 [0,2,0,0,0,0|1,0,1]=4 3340 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,2,0,0,0,0|0,0,0]=2 3341 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [0,2,0,0,0,0|1,0,1]=4 3342 B8R0.23 C[C@@H](NC(S)=S)C(O)=O Amb25073818 [0,2,0,0,0,0|1,1,0]=4 3343 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,2,0,0,0,0|0,0,2]=4 3344 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,2,0,0,0,0|0,0,2]=4 3345 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,2,0,0,0,0|0,0,2]=4 3346 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,2,0,0,0,0|0,0,2]=4 3347 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [0,2,0,0,0,0|1,0,1]=4 3348 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [0,2,0,0,0,0|2,0,0]=4 3349 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,2,0,0,0,0|1,0,0]=3 3350 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,2,0,0,0,0|0,0,0]=2 3351 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,2,0,0,0,0|0,0,0]=2 3352 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,2,0,0,0,0|1,0,1]=4 3353 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [0,2,0,0,0,0|1,0,1]=4 3354 B8R0.23 C[C@H](NC(N)=N)C(O)=O Amb24388432 [0,2,0,0,0,0|2,0,0]=4 3355 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,2,0,0,0,0|0,0,2]=4 3356 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,2,0,0,0,0|0,0,2]=4 3357 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,2,0,0,0,0|1,0,0]=3 3358 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [0,2,0,0,0,0|2,0,0]=4 3359 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,2,0,0,0,0|0,0,2]=4 3360 B8R0.23 C\C(\Cl)=C\C(Cl)C(O)=O Amb24710290 [0,2,0,0,0,0|1,0,1]=4 3361 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,2,0,0,0,0|1,0,1]=4 3362 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [0,2,0,0,0,0|1,0,1]=4 3363 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [0,2,0,0,0,0|1,0,1]=4 3364 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,2,0,0,0,0|1,0,0]=3 3365 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,2,0,0,0,0|1,0,0]=3 3366 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,2,0,0,0,0|0,0,0]=2 3367 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,2,0,0,0,0|0,0,0]=2 3368 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,2,0,0,0,0|0,0,1]=3 3369 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,2,0,0,0,0|1,0,0]=3 3370 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,2,0,0,0,0|0,0,0]=2 3371 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,2,0,0,0,0|0,0,0]=2 3372 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,2,0,0,0,0|0,0,0]=2 3373 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,2,0,0,0,0|0,0,0]=2 3374 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,2,0,0,0,0|0,0,0]=2 3375 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,2,0,0,0,0|0,0,0]=2 3376 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,2,0,0,0,0|1,0,0]=3 3378 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,2,0,0,0,0|1,0,0]=3 3379 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,2,0,0,0,0|1,0,0]=3 3380 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,2,0,0,0,0|1,0,0]=3 3381 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,2,0,0,0,0|0,0,0]=2 3382 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,2,0,0,0,0|1,0,0]=3 3383 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,2,0,0,0,0|1,0,0]=3 3384 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,2,0,0,0,0|0,0,2]=4 3385 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,2,0,0,0,0|0,1,0]=3 3386 B8R0.23 NC(=S)N(N)CC(O)=O Amb24744103 [0,2,0,0,0,0|1,1,0]=4 3387 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,2,0,0,0,0|1,0,1]=4 3388 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,2,0,0,0,0|1,0,1]=4 3389 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,2,0,0,0,0|1,0,1]=4 3390 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,2,0,0,0,0|1,0,1]=4 3391 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,2,0,0,0,0|1,0,1]=4 3392 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,2,0,0,0,0|1,0,1]=4 3393 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,2,0,0,0,0|0,0,0]=2 3394 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,2,0,0,0,0|0,0,0]=2 3395 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,2,0,0,0,0|0,0,0]=2 3396 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,2,0,0,0,0|0,0,0]=2 3397 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,2,0,0,0,0|0,0,0]=2 3398 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,2,0,0,0,0|0,0,0]=2 3399 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,2,0,0,0,0|0,0,0]=2 3400 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,2,0,0,0,0|0,0,0]=2 3401 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [0,2,0,0,0,0|0,0,1]=3 3402 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,2,0,0,0,0|1,1,0]=4 3403 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,2,0,0,0,0|1,0,0]=3 3404 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,2,0,0,0,0|0,0,0]=2 3407 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,2,0,0,0,0|0,0,0]=2 3408 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,2,0,0,0,0|1,0,0]=3 3409 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,2,0,0,0,0|0,0,0]=2 3410 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,2,0,0,0,0|0,0,0]=2 3411 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,2,0,0,0,0|0,0,0]=2 3412 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,2,0,0,0,0|1,0,1]=4 3413 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,2,0,0,0,0|1,0,1]=4 3414 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,2,0,0,0,0|1,0,1]=4 3415 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,2,0,0,0,0|0,0,0]=2 3416 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,2,0,0,0,0|0,0,0]=2 3417 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,2,0,0,0,0|0,0,0]=2 3418 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,2,0,0,0,0|0,0,0]=2 3419 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,2,0,0,0,0|0,0,0]=2 3420 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,2,0,0,0,0|0,0,0]=2 3421 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,2,0,0,0,0|0,0,0]=2 3422 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [0,2,0,0,0,0|0,0,1]=3 3423 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [0,2,0,0,0,0|0,0,1]=3 3424 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [0,2,0,0,0,0|0,0,1]=3 3425 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [0,2,0,0,0,0|0,0,1]=3 3426 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,2,0,0,0,0|0,0,0]=2 3427 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,2,0,0,0,0|1,0,0]=3 3428 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,2,0,0,0,0|0,0,0]=2 3429 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,2,0,0,0,0|1,0,1]=4 3430 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,2,0,0,0,0|1,0,1]=4 3431 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,2,0,0,0,0|0,0,0]=2 3432 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,2,0,0,0,0|1,0,0]=3 3433 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,2,0,0,0,0|1,1,0]=4 3434 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,2,0,0,0,0|1,0,0]=3 3435 B8R0.23 O=C(Cl)C(Cl)CS(=O)Cl Amb24741781 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [0,2,0,0,0,0|1,0,0]=3 3437 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,2,0,0,0,0|0,0,1]=3 3438 B8R0.23 OC(=O)C(Cl)C=C(Cl)Cl Amb24635775 [0,2,0,0,0,0|1,0,1]=4 3439 B8R0.23 OC(=O)C(Cl)CC(Cl)Cl Amb25350003 [0,2,0,0,0,0|1,0,1]=4 3440 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,2,0,0,0,0|1,0,0]=3 3441 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,2,0,0,0,0|0,0,0]=2 3442 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [0,2,0,0,0,0|1,0,1]=4 3443 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,2,0,0,0,0|0,0,0]=2 3444 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,2,0,0,0,0|0,0,0]=2 3445 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,2,0,0,0,0|0,0,0]=2 3446 B8R0.23 OC(=O)CC(=C(Cl)Cl)Cl Amb2227973 [0,2,0,0,0,0|1,0,1]=4 3447 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,2,0,0,0,0|0,0,1]=3 3448 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,2,0,0,0,0|0,0,0]=2 3449 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,2,0,0,0,0|0,0,0]=2 3450 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,2,0,0,0,0|0,0,0]=2 3451 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,2,0,0,0,0|1,0,0]=3 3452 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,2,0,0,0,0|1,0,0]=3 3453 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,2,0,0,0,0|1,0,0]=3 3454 B8R0.23 OC(=O)CN(C(=S)S)C Amb1042470 [0,2,0,0,0,0|1,1,0]=4 3455 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,2,0,0,0,0|0,0,0]=2 3456 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,2,0,0,0,0|0,0,2]=4 3457 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,2,0,0,0,0|0,0,0]=2 3458 B8R0.23 OC(=O)[C@@H](Cl)CC(Cl)Cl Amb25061364 [0,2,0,0,0,0|1,0,1]=4 3459 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,2,0,0,0,0|0,0,0]=2 3460 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,2,0,0,0,0|0,0,0]=2 3461 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,2,0,0,0,0|0,0,0]=2 3462 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,2,0,0,0,0|0,0,0]=2 3463 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,2,0,0,0,0|0,0,0]=2 3464 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,2,0,0,0,0|0,0,2]=4 3465 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,2,0,0,0,0|0,0,2]=4 3466 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,2,0,0,0,0|0,0,2]=4 3467 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,2,0,0,0,0|0,0,2]=4 3468 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [0,2,0,0,0,0|1,0,1]=4 3469 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [0,2,0,0,0,0|1,0,0]=3 3470 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [0,2,0,0,0,0|1,0,1]=4 3471 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [0,2,0,0,0,0|0,0,2]=4 3472 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,2,0,0,0,0|0,0,0]=2 3473 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [0,2,0,0,0,0|1,0,0]=3 3474 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [0,2,0,0,0,0|1,0,1]=4 3475 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [0,2,0,0,0,0|1,0,1]=4 3476 B8R0.23 [13CH3]N(CC(O)=O)C(N)=N Amb22367286 [0,2,0,0,0,0|2,0,0]=4 3477 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,2,0,0,0,0|1,0,1]=4 3478 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,2,0,0,0,0|0,0,0]=2 3479 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,2,0,0,0,0|0,0,0]=2 3480 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,2,0,0,0,0|0,0,0]=2 3481 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,2,0,0,0,0|0,0,0]=2 3482 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,2,0,0,0,0|0,0,0]=2 3483 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,2,0,0,0,0|0,0,0]=2 3484 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,2,0,0,0,0|0,0,0]=2 3485 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [0,2,0,0,0,0|0,0,1]=3 3486 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [0,2,0,0,0,0|0,0,1]=3 3487 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,2,0,0,0,0|0,0,0]=2 3488 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [0,2,0,0,0,0|0,0,1]=3 3489 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [0,2,0,0,0,0|0,0,1]=3 3490 B8R0.24 CC(CC(C)(C)O)C=O Amb25254196 [0,2,0,0,0,0|1,0,1]=4 3491 B8R0.24 CC(CP(O)(O)=O)C=O Amb25134096 [0,2,0,0,0,0|1,0,0]=3 3492 B8R0.34 C=CS(=O)(=O)CC(O)=O Amb25065243 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [0,2,0,0,0,0|1,0,0]=3 3494 B8R0.34 CC(=O)OC(C)(C)C=O Amb18642744 [0,2,0,0,0,0|2,0,0]=4 3495 B8R0.34 CC(C)(CBr)CC(O)=O Amb24480039 [0,2,0,0,0,0|1,0,1]=4 3496 B8R0.34 CC(C)(CC(=C)Cl)C=O Amb25668263 [0,2,0,0,0,0|2,0,0]=4 3497 B8R0.34 CC(C)(CC(N)=O)C=C Amb25680144 [0,2,0,0,0,0|2,0,0]=4 3498 B8R0.34 CC(C)(CC(O)=O)C#C Amb24554543 [0,2,0,0,0,0|1,0,1]=4 3499 B8R0.34 CC(C)(CC(O)=O)CO Amb24116870 [0,2,0,0,0,0|0,0,2]=4 3500 B8R0.34 CC(C)(CC(O)=O)NN Amb24670787 [0,2,0,0,0,0|2,0,0]=4 3501 B8R0.34 CC(F)(CN)CC(O)=O Amb24481603 [0,2,0,0,0,0|1,0,1]=4 3502 B8R0.34 CC(N)(CC(O)=O)C=C Amb22641965 [0,2,0,0,0,0|1,0,0]=3 3503 B8R0.34 CC(N)(CCl)CC(O)=O Amb22641961 [0,2,0,0,0,0|1,0,1]=4 3504 B8R0.34 CC(O)(CC(O)=O)C=C Amb18642755 [0,2,0,0,0,0|1,0,0]=3 3505 B8R0.34 CC(O)(CN)CC(O)=O Amb25188898 [0,2,0,0,0,0|1,0,1]=4 3506 B8R0.34 CCC(C)(Cl)CC(O)=O Amb18644450 [0,2,0,0,0,0|1,0,1]=4 3507 B8R0.34 CCC(C)(N)CC(O)=O Amb25853863 [0,2,0,0,0,0|1,0,1]=4 3508 B8R0.34 CCC(C)(O)CC(O)=O Amb18298122 [0,2,0,0,0,0|1,0,1]=4 3509 B8R0.34 CCC(CC(=O)O)(C)C Amb10573669 [0,2,0,0,0,0|1,0,1]=4 3510 B8R0.34 CC[C@@](C)(N)CC(O)=O Amb25738026 [0,2,0,0,0,0|1,0,1]=4 3511 B8R0.34 CC[C@@](C)(O)CC(O)=O Amb25697894 [0,2,0,0,0,0|1,0,1]=4 3512 B8R0.34 CC[C@](C)(O)CC(O)=O Amb24746144 [0,2,0,0,0,0|1,0,1]=4 3513 B8R0.34 CNC(C)(C)CC(O)=O Amb25710043 [0,2,0,0,0,0|2,0,0]=4 3514 B8R0.34 CSC(C)(C)CC(O)=O Amb25304571 [0,2,0,0,0,0|2,0,0]=4 3515 B8R0.34 C[C@@](N)(CC(O)=O)CO Amb25715205 [0,2,0,0,0,0|0,0,2]=4 3516 B8R0.34 C[C@@](O)(CN)CC(O)=O Amb24745092 [0,2,0,0,0,0|1,0,1]=4 3517 B8R0.34 NCC(F)(F)CC(O)=O Amb19148532 [0,2,0,0,0,0|1,0,1]=4 3518 B8R0.34 O=CC(CC(=C)C)(C)C Amb17593324 [0,2,0,0,0,0|2,0,0]=4 3519 B8R0.34 O=NC(CC(=O)C)(C)C Amb17593358 [0,2,0,0,0,0|2,0,0]=4 3520 B8R0.1 C#CCCC(=O)CCO Amb24384003 [0,2,0,0,0,0|1,0,1]=4 3521 B8R0.1 C=CCCC(=O)CCN Amb24763288 [0,2,0,0,0,0|2,0,0]=4 3522 B8R0.1 C=CCCC(=O)N=[N+]=[N-] Amb25799424 [0,2,0,0,0,0|2,0,0]=4 3523 B8R0.1 C=CCCC(=O)NCO Amb25090380 [0,2,0,0,0,0|1,0,0]=3 3524 B8R0.1 C=CCOC(=O)NCO Amb24540438 [0,2,0,0,0,0|2,0,0]=4 3525 B8R0.1 C=COC(=O)CCCBr Amb24576258 [0,2,0,0,0,0|1,0,1]=4 3526 B8R0.1 C=COC(=O)CCCCl Amb25113897 [0,2,0,0,0,0|1,0,1]=4 3527 B8R0.1 CC(CC=O)CCC=O Amb24440923 [0,2,0,0,0,0|1,0,1]=4 3528 B8R0.1 CC(CCC=O)=CCO Amb25251421 [0,2,0,0,0,0|1,0,0]=3 3529 B8R0.1 CC(CCC=O)OC=O Amb24742137 [0,2,0,0,0,0|1,0,1]=4 3530 B8R0.1 CCCC(=C)CCC=O Amb24750136 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.1 CCCC(=O)CCC=O Amb18642627 [0,2,0,0,0,0|1,0,0]=3 3532 B8R0.1 CCCC(=O)COC=O Amb25317928 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.1 CCCC(=O)NCC=O Amb17102055 [0,2,0,0,0,0|2,0,0]=4 3534 B8R0.1 CCCCC(=O)COC Amb19374627 [0,2,0,0,0,0|1,0,1]=4 3535 B8R0.1 CCCCC(=O)NOC Amb24478571 [0,2,0,0,0,0|1,0,1]=4 3536 B8R0.1 CCCCC(=O)OC=C Amb17934207 [0,2,0,0,0,0|1,0,1]=4 3537 B8R0.1 CCCC\C(\O)=C\C=O Amb25103320 [0,2,0,0,0,0|1,0,1]=4 3538 B8R0.1 CCNC(=O)CCC=C Amb25662084 [0,2,0,0,0,0|2,0,0]=4 3539 B8R0.1 CCOC(=O)CCC#C Amb18636093 [0,2,0,0,0,0|1,0,1]=4 3540 B8R0.1 CCOC(=O)CCC=C Amb10601809 [0,2,0,0,0,0|1,0,0]=3 3541 B8R0.1 CCOC(=O)CCC=O Amb17593369 [0,2,0,0,0,0|0,0,0]=2 3542 B8R0.1 CCOC(=O)CCCF Amb24649863 [0,2,0,0,0,0|1,0,1]=4 3543 B8R0.1 CCOC(=O)CCCI Amb21520420 [0,2,0,0,0,0|1,0,1]=4 3544 B8R0.1 CCOC(=O)CCCO Amb22733346 [0,2,0,0,0,0|0,0,2]=4 3545 B8R0.1 CCOC(=O)CCNN Amb23504114 [0,2,0,0,0,0|2,0,0]=4 3546 B8R0.1 CCOC(=O)CCNN Amb24681733 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.1 CCOC(=O)CCON Amb24481776 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.1 CCOC(=O)CC[Zn]Br Amb22000404 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.1 CCOC(=O)CNC=C Amb24432990 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.1 CCOC(=O)CNC=O Amb16232466 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.1 CCOC(=O)C\C=C\Cl Amb24583058 [0,2,0,0,0,0|1,0,1]=4 3552 B8R0.1 CCOC(=O)NCC=C Amb17792413 [0,2,0,0,0,0|2,0,0]=4 3553 B8R0.1 CCOC(=O)NCC=O Amb24636687 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.1 CCOC(=O)OCC=C Amb22230384 [0,2,0,0,0,0|2,0,0]=4 3555 B8R0.1 CCOC(=O)\C=C/C=O Amb25032138 [0,2,0,0,0,0|0,0,2]=4 3556 B8R0.1 CCOC(=O)\C=C\C=O Amb18642570 [0,2,0,0,0,0|0,0,2]=4 3557 B8R0.1 CCO[13C](=O)[13CH2]NC=O Amb22055326 [0,2,0,0,0,0|1,0,0]=3 3558 B8R0.1 CC\C=C(/C)\CCC=O Amb18642473 [0,2,0,0,0,0|2,0,0]=4 3559 B8R0.1 CC\C=C(\C)/CCC=O Amb25264988 [0,2,0,0,0,0|2,0,0]=4 3560 B8R0.1 CNCC(=O)CCC=C Amb25703229 [0,2,0,0,0,0|2,0,0]=4 3561 B8R0.1 CNCCC(=O)NOC Amb25690170 [0,2,0,0,0,0|2,0,0]=4 3562 B8R0.1 COCC(=O)CCC=C Amb25341961 [0,2,0,0,0,0|1,0,0]=3 3563 B8R0.1 COCC(=O)CCCN Amb25291760 [0,2,0,0,0,0|1,0,1]=4 3564 B8R0.1 COCC(=O)CCSC Amb24625505 [0,2,0,0,0,0|2,0,0]=4 3565 B8R0.1 COCC(=O)NCC=C Amb23247500 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.1 COCC(=O)NNC=O Amb25369289 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.1 COCC(O)CCC=O Amb25819909 [0,2,0,0,0,0|0,0,2]=4 3568 B8R0.1 CONC(=O)CCC#C Amb25720678 [0,2,0,0,0,0|1,0,1]=4 3569 B8R0.1 CONC(=O)CCCCl Amb25073130 [0,2,0,0,0,0|1,0,1]=4 3570 B8R0.1 CONC(=O)CCSC Amb25724779 [0,2,0,0,0,0|2,0,0]=4 3571 B8R0.1 CONC(=O)NCC=C Amb24718118 [0,2,0,0,0,0|2,0,0]=4 3572 B8R0.1 CSCCC(=O)ONN Amb24478796 [0,2,0,0,0,0|2,0,0]=4 3573 B8R0.1 C\C(\CCC=C)=C\C=O Amb24580507 [0,2,0,0,0,0|2,0,0]=4 3574 B8R0.1 C\C(\CCC=O)=C/C=C Amb25227853 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.1 C\C=C\C(=O)CCC=O Amb24610089 [0,2,0,0,0,0|1,0,0]=3 3576 B8R0.1 C\C=C\CC(=O)OCC Amb24621820 [0,2,0,0,0,0|1,0,1]=4 3577 B8R0.1 ClCCCC(=O)OCC Amb1153203 [0,2,0,0,0,0|1,0,1]=4 3578 B8R0.1 N#CCCC(=O)OCCl Amb24562835 [0,2,0,0,0,0|1,0,1]=4 3579 B8R0.1 O=CCCC(=O)CCBr Amb24480220 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.1 O=CCCC(NC=O)C Amb17593357 [0,2,0,0,0,0|1,0,1]=4 3581 B8R0.1 OCCC(=O)NCC=C Amb17334106 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.1 OCCC(=O)\C=C\C=O Amb24668888 [0,2,0,0,0,0|0,0,2]=4 3583 B8R0.1 O\C(=C/C=O)\C=C\C=O Amb25081428 [0,2,0,0,0,0|0,0,2]=4 3584 B8R0.1 O\C(=C\C=O)\C=CC=O Amb25339636 [0,2,0,0,0,0|0,0,2]=4 3585 B8R0.3 C=CC(=O)C(N)CC=C Amb25736446 [0,2,0,0,0,0|2,0,0]=4 3586 B8R0.3 C=CCC(N)C(=O)NN Amb25298561 [0,2,0,0,0,0|2,0,0]=4 3587 B8R0.3 CC(C(=O)OC)CC#N Amb17334094 [0,2,0,0,0,0|1,0,1]=4 3588 B8R0.3 CC(C(=O)OC)CCCl Amb16230918 [0,2,0,0,0,0|1,0,1]=4 3589 B8R0.3 CC(CC=C)C(=O)CO Amb25662371 [0,2,0,0,0,0|1,0,0]=3 3590 B8R0.3 CC(CCN)C(=O)CO Amb24478589 [0,2,0,0,0,0|1,0,1]=4 3591 B8R0.3 CC(CCN)C(=O)NO Amb24387287 [0,2,0,0,0,0|1,0,1]=4 3592 B8R0.3 CC(OC)C(O)CC=O Amb24662835 [0,2,0,0,0,0|1,0,1]=4 3593 B8R0.3 CCC(=O)C(C)CC=O Amb25139519 [0,2,0,0,0,0|1,0,0]=3 3594 B8R0.3 CCC(=O)C(C)NC=O Amb24372592 [0,2,0,0,0,0|2,0,0]=4 3595 B8R0.3 CCCC(Br)C(=O)OC Amb20621576 [0,2,0,0,0,0|1,0,1]=4 3596 B8R0.3 CCCC(C)C(=O)CO Amb25134141 [0,2,0,0,0,0|1,0,1]=4 3597 B8R0.3 CCCC(Cl)C(=O)OC Amb18182712 [0,2,0,0,0,0|1,0,1]=4 3598 B8R0.3 CCCC(N)C(=O)NO Amb22059373 [0,2,0,0,0,0|1,0,1]=4 3599 B8R0.3 CCCC(N)C(=O)OC Amb21959980 [0,2,0,0,0,0|1,0,1]=4 3600 B8R0.3 CCCC(O)C(=O)OC Amb23454534 [0,2,0,0,0,0|1,0,1]=4 3601 B8R0.3 CCCC(O)C(=O)O[Na] Amb22360645 [0,2,0,0,0,0|1,0,1]=4 3602 B8R0.3 CCC[C@@H](C(=O)OC)N Amb10844887 [0,2,0,0,0,0|1,0,1]=4 3603 B8R0.3 CCC[C@@H](N)C(=O)OC Amb25146086 [0,2,0,0,0,0|1,0,1]=4 3604 B8R0.3 CCC[C@H](Cl)C(=O)OC Amb24480069 [0,2,0,0,0,0|1,0,1]=4 3605 B8R0.3 CCC[C@H](N)C(=O)NO Amb24460770 [0,2,0,0,0,0|1,0,1]=4 3606 B8R0.3 CCC[C@H](N)C(=O)OC Amb17942871 [0,2,0,0,0,0|1,0,1]=4 3607 B8R0.3 CCC[C@H](O)C(=O)OC Amb25318183 [0,2,0,0,0,0|1,0,1]=4 3608 B8R0.3 CN(C(=O)CC)CC=O Amb17080669 [0,2,0,0,0,0|2,0,0]=4 3609 B8R0.3 CN(CC=O)C(=O)CO Amb24084373 [0,2,0,0,0,0|1,0,0]=3 3610 B8R0.3 CNC(=O)C(C)NC=O Amb25063745 [0,2,0,0,0,0|2,0,0]=4 3611 B8R0.3 CNC(=O)C(N)CC=C Amb25265243 [0,2,0,0,0,0|2,0,0]=4 3612 B8R0.3 CNC(=O)[C@H](C)NC=O Amb25186976 [0,2,0,0,0,0|2,0,0]=4 3613 B8R0.3 CNCC(Br)C(=O)OC Amb25711547 [0,2,0,0,0,0|2,0,0]=4 3614 B8R0.3 CNCC(Cl)C(=O)OC Amb25804470 [0,2,0,0,0,0|2,0,0]=4 3615 B8R0.3 CNCC(F)C(=O)OC Amb25365321 [0,2,0,0,0,0|2,0,0]=4 3616 B8R0.3 CNCC(I)C(=O)OC Amb25247168 [0,2,0,0,0,0|2,0,0]=4 3617 B8R0.3 COC(=O)C(=C)CC=O Amb25827223 [0,2,0,0,0,0|0,0,1]=3 3618 B8R0.3 COC(=O)C(Br)CC=C Amb24529042 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.3 COC(=O)C(Br)CCO Amb25708416 [0,2,0,0,0,0|0,0,2]=4 3620 B8R0.3 COC(=O)C(C)CC#C Amb18115942 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.3 COC(=O)C(C)CC=O Amb18642746 [0,2,0,0,0,0|0,0,0]=2 3622 B8R0.3 COC(=O)C(C)CNO Amb25698628 [0,2,0,0,0,0|1,0,1]=4 3623 B8R0.3 COC(=O)C(C)NC=O Amb25147028 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.3 COC(=O)C(Cl)CC=C Amb25365264 [0,2,0,0,0,0|1,0,0]=3 3625 B8R0.3 COC(=O)C(Cl)CCN Amb25799672 [0,2,0,0,0,0|1,0,1]=4 3626 B8R0.3 COC(=O)C(Cl)CCO Amb25300346 [0,2,0,0,0,0|0,0,2]=4 3627 B8R0.3 COC(=O)C(Cl)CSC Amb25858109 [0,2,0,0,0,0|2,0,0]=4 3628 B8R0.3 COC(=O)C(Cl)CSCl Amb25690063 [0,2,0,0,0,0|2,0,0]=4 3629 B8R0.3 COC(=O)C(Cl)NC=O Amb24479985 [0,2,0,0,0,0|1,0,0]=3 3630 B8R0.3 COC(=O)C(F)CCN Amb22388532 [0,2,0,0,0,0|1,0,1]=4 3631 B8R0.3 COC(=O)C(N)CC#C Amb24426865 [0,2,0,0,0,0|1,0,1]=4 3632 B8R0.3 COC(=O)C(N)CC=C Amb18642703 [0,2,0,0,0,0|1,0,0]=3 3633 B8R0.3 COC(=O)C(N)CC=C Amb22757544 [0,2,0,0,0,0|1,0,0]=3 3634 B8R0.3 COC(=O)C(N)CCF Amb25066743 [0,2,0,0,0,0|1,0,1]=4 3635 B8R0.3 COC(=O)C(N)CCI Amb24689288 [0,2,0,0,0,0|1,0,1]=4 3636 B8R0.3 COC(=O)C(N)CCN Amb24113143 [0,2,0,0,0,0|1,0,1]=4 3637 B8R0.3 COC(=O)C(N)CCN Amb25733368 [0,2,0,0,0,0|1,0,1]=4 3638 B8R0.3 COC(=O)C(N)CCO Amb18305497 [0,2,0,0,0,0|0,0,2]=4 3639 B8R0.3 COC(=O)C(N)CCS Amb18304164 [0,2,0,0,0,0|0,1,1]=4 3640 B8R0.3 COC(=O)C(N)CNN Amb24469433 [0,2,0,0,0,0|2,0,0]=4 3641 B8R0.3 COC(=O)C(N)COC Amb23454660 [0,2,0,0,0,0|2,0,0]=4 3642 B8R0.3 COC(=O)C(N)CSC Amb19878256 [0,2,0,0,0,0|2,0,0]=4 3643 B8R0.3 COC(=O)C(N)CSC Amb22052594 [0,2,0,0,0,0|2,0,0]=4 3644 B8R0.3 COC(=O)C(N)CSCl Amb24629536 [0,2,0,0,0,0|2,0,0]=4 3645 B8R0.3 COC(=O)C(O)CC#N Amb25716720 [0,2,0,0,0,0|1,0,1]=4 3646 B8R0.3 COC(=O)C(O)CC=O Amb25357382 [0,2,0,0,0,0|0,0,0]=2 3647 B8R0.3 COC(=O)C(O)CCF Amb25114455 [0,2,0,0,0,0|1,0,1]=4 3648 B8R0.3 COC(=O)C(O)CCO Amb25846187 [0,2,0,0,0,0|0,0,2]=4 3649 B8R0.3 COC(=O)C(O)COC Amb23596463 [0,2,0,0,0,0|2,0,0]=4 3650 B8R0.3 COC(=O)C(O)CON Amb24360318 [0,2,0,0,0,0|2,0,0]=4 3651 B8R0.3 COC(=O)C(O)NC=O Amb25791063 [0,2,0,0,0,0|1,0,0]=3 3652 B8R0.3 COC(=O)N(C)CC=O Amb25216418 [0,2,0,0,0,0|1,0,0]=3 3653 B8R0.3 COC(=O)[C@@H](C)CC=O Amb25683366 [0,2,0,0,0,0|0,0,0]=2 3654 B8R0.3 COC(=O)[C@@H](C)C[Zn]Br Amb22336632 [0,2,0,0,0,0|2,0,0]=4 3655 B8R0.3 COC(=O)[C@@H](C)N=C=O Amb18015711 [0,2,0,0,0,0|1,0,1]=4 3656 B8R0.3 COC(=O)[C@@H](C)NC=O Amb25716179 [0,2,0,0,0,0|1,0,0]=3 3657 B8R0.3 COC(=O)[C@@H](N)CC#C Amb22746034 [0,2,0,0,0,0|1,0,1]=4 3658 B8R0.3 COC(=O)[C@@H](N)CC#N Amb25292167 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.3 COC(=O)[C@@H](N)CC=C Amb22750599 [0,2,0,0,0,0|1,0,0]=3 3660 B8R0.3 COC(=O)[C@@H](N)CC=C Amb24120340 [0,2,0,0,0,0|1,0,0]=3 3661 B8R0.3 COC(=O)[C@@H](N)CCN Amb25727598 [0,2,0,0,0,0|1,0,1]=4 3662 B8R0.3 COC(=O)[C@@H](N)CCO Amb24183815 [0,2,0,0,0,0|0,0,2]=4 3663 B8R0.3 COC(=O)[C@@H](N)CCO Amb24746756 [0,2,0,0,0,0|0,0,2]=4 3664 B8R0.3 COC(=O)[C@@H](N)CCS Amb25679147 [0,2,0,0,0,0|0,1,1]=4 3665 B8R0.3 COC(=O)[C@@H](N)COC Amb24183609 [0,2,0,0,0,0|2,0,0]=4 3666 B8R0.3 COC(=O)[C@@H](O)CC=C Amb25146218 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.3 COC(=O)[C@@H](O)CCN Amb25146066 [0,2,0,0,0,0|1,0,1]=4 3668 B8R0.3 COC(=O)[C@H](C)CON Amb24604757 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.3 COC(=O)[C@H](C)C[Zn]Br Amb22336304 [0,2,0,0,0,0|2,0,0]=4 3670 B8R0.3 COC(=O)[C@H](C)NC=O Amb24476955 [0,2,0,0,0,0|1,0,0]=3 3671 B8R0.3 COC(=O)[C@H](Cl)CCN Amb24595014 [0,2,0,0,0,0|1,0,1]=4 3672 B8R0.3 COC(=O)[C@H](N)CC#N Amb24627258 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.3 COC(=O)[C@H](N)CC=C Amb24635550 [0,2,0,0,0,0|1,0,0]=3 3674 B8R0.3 COC(=O)[C@H](N)COC Amb24476668 [0,2,0,0,0,0|2,0,0]=4 3675 B8R0.3 COC(=O)[C@H](O)CC#C Amb24674438 [0,2,0,0,0,0|1,0,1]=4 3676 B8R0.3 COC(=O)[C@H](O)CCN Amb24476659 [0,2,0,0,0,0|1,0,1]=4 3677 B8R0.3 COCC(C(=O)OC)Br Amb10070673 [0,2,0,0,0,0|2,0,0]=4 3678 B8R0.3 COCC(O)C(=O)CO Amb25286582 [0,2,0,0,0,0|2,0,0]=4 3679 B8R0.3 COC[C@H](O)C(=O)CO Amb24422234 [0,2,0,0,0,0|2,0,0]=4 3680 B8R0.3 CSC[C@@H](C(=O)OC)N Amb15701265 [0,2,0,0,0,0|2,0,0]=4 3681 B8R0.3 CSC[C@@H](C(=O)OC)N Amb17322841 [0,2,0,0,0,0|2,0,0]=4 3682 B8R0.3 C\C(=C/C=O)\C(=O)OC Amb25286310 [0,2,0,0,0,0|0,0,2]=4 3683 B8R0.3 C\C=C/[C@@H](N)C(=O)OC Amb24744726 [0,2,0,0,0,0|1,0,1]=4 3684 B8R0.3 C\C=C\C(C)C(=O)CO Amb24723648 [0,2,0,0,0,0|1,0,1]=4 3685 B8R0.3 C\C=C\C(O)C(=O)OC Amb25091584 [0,2,0,0,0,0|1,0,1]=4 3686 B8R0.3 C\C=C\[C@H](O)C(=O)OC Amb24430980 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.3 OC(CBr)C(O)CC=O Amb25835141 [0,2,0,0,0,0|1,0,1]=4 3688 B8R0.3 OC(CO)C(F)CC=O Amb25320172 [0,2,0,0,0,0|0,0,2]=4 3689 B8R0.3 OC([C@H](CO)O)CC=O Amb10838108 [0,2,0,0,0,0|0,0,2]=4 3690 B8R0.3 OCC(=O)C(O)CC=O Amb25350826 [0,2,0,0,0,0|0,0,0]=2 3691 B8R0.3 OCC(=O)C(O)CCO Amb24364093 [0,2,0,0,0,0|0,0,2]=4 3692 B8R0.3 OCC(=O)[C@@H](O)CCO Amb25718359 [0,2,0,0,0,0|0,0,2]=4 3693 B8R0.3 OC[C@H](O)[C@H](O)CC=O Amb17943012 [0,2,0,0,0,0|0,0,2]=4 3694 B8R0.3 O[C@H](CO)[C@@H](F)CC=O Amb24523024 [0,2,0,0,0,0|0,0,2]=4 3695 B8R0.3 O[C@H](CS)[C@@H](O)CC=O Amb25326234 [0,2,0,0,0,0|0,1,1]=4 3696 B8R0.6 C=C(CCCC=O)C=O Amb25338086 [0,2,0,0,0,0|1,0,0]=3 3697 B8R0.6 C=C=CCCC(=O)OC Amb10605302 [0,2,0,0,0,0|1,0,0]=3 3698 B8R0.6 C=CC(=C)CCCC=O Amb18642214 [0,2,0,0,0,0|2,0,0]=4 3699 B8R0.6 C=CCCCC(=C)CO Amb25188985 [0,2,0,0,0,0|2,0,0]=4 3700 B8R0.6 C=CCCCC(=O)C#C Amb25251962 [0,2,0,0,0,0|2,0,0]=4 3701 B8R0.6 C=CCCCC(=O)C#N Amb25807418 [0,2,0,0,0,0|2,0,0]=4 3702 B8R0.6 C=CCCCC(=O)CO Amb25114937 [0,2,0,0,0,0|1,0,0]=3 3703 B8R0.6 C=CCCCC(=O)NN Amb24745072 [0,2,0,0,0,0|2,0,0]=4 3704 B8R0.6 C=CCCCC(=O)NN Amb25332027 [0,2,0,0,0,0|2,0,0]=4 3705 B8R0.6 C=CCCCC(=O)NO Amb25742329 [0,2,0,0,0,0|1,0,0]=3 3706 B8R0.6 C=CCCNC(=O)CBr Amb25708152 [0,2,0,0,0,0|2,0,0]=4 3707 B8R0.6 C=CCCNC(=O)CCl Amb25113798 [0,2,0,0,0,0|2,0,0]=4 3708 B8R0.6 C=CCCNC(=O)CI Amb24440549 [0,2,0,0,0,0|2,0,0]=4 3709 B8R0.6 C=CCCNC(=O)CN Amb25077542 [0,2,0,0,0,0|2,0,0]=4 3710 B8R0.6 C=CCNCC(=O)NN Amb24529120 [0,2,0,0,0,0|2,0,0]=4 3711 B8R0.6 C=CCOCC(=C)CO Amb24395484 [0,2,0,0,0,0|2,0,0]=4 3712 B8R0.6 C=CCOCC(=O)C=C Amb24360963 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.6 C=CCOCC(=O)NN Amb25077474 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.6 C=CCSC\C(\N)=N/O Amb25756394 [0,2,0,0,0,0|2,0,0]=4 3715 B8R0.6 CC(=CCCC=O)C#N Amb24753952 [0,2,0,0,0,0|2,0,0]=4 3716 B8R0.6 CC(CCCC=O)=C=C Amb25309689 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.6 CC(CCCC=O)C=O Amb18642651 [0,2,0,0,0,0|1,0,1]=4 3718 B8R0.6 CC(CCOC=O)C=O Amb18642758 [0,2,0,0,0,0|1,0,1]=4 3719 B8R0.6 CC(CCl)=CCCC=O Amb24516365 [0,2,0,0,0,0|2,0,0]=4 3720 B8R0.6 CC(CO)=CCOC=O Amb24386956 [0,2,0,0,0,0|1,0,1]=4 3721 B8R0.6 CC(CO)CCCC=O Amb24532890 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.6 CC(CO)CSCC=O Amb25380767 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.6 CCC(=C)CCCC=O Amb18642469 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.6 CCC(=O)CCCC=O Amb18642643 [0,2,0,0,0,0|1,0,0]=3 3725 B8R0.6 CCC(=O)CNCC=C Amb24603096 [0,2,0,0,0,0|2,0,0]=4 3726 B8R0.6 CCC(=O)NCCC=C Amb10562815 [0,2,0,0,0,0|2,0,0]=4 3727 B8R0.6 CCC(=O)NCCC=O Amb17102166 [0,2,0,0,0,0|1,0,0]=3 3728 B8R0.6 CCC(=O)OCCC=C Amb25315116 [0,2,0,0,0,0|2,0,0]=4 3729 B8R0.6 CCC(=O)OCCC=O Amb18642741 [0,2,0,0,0,0|1,0,0]=3 3730 B8R0.6 CCC(O)CCCC=O Amb25290333 [0,2,0,0,0,0|1,0,1]=4 3731 B8R0.6 CCCOCC(=O)CO Amb24416729 [0,2,0,0,0,0|1,0,1]=4 3732 B8R0.6 CCCOCC(=O)NO Amb25261947 [0,2,0,0,0,0|1,0,1]=4 3733 B8R0.6 CCCSCC(=O)NO Amb24457617 [0,2,0,0,0,0|1,0,1]=4 3734 B8R0.6 CCNCCC(=O)NO Amb25251897 [0,2,0,0,0,0|1,0,1]=4 3735 B8R0.6 CCOCCC(=O)CO Amb24478622 [0,2,0,0,0,0|1,0,1]=4 3736 B8R0.6 CCS(=O)CCNC=O Amb24481774 [0,2,0,0,0,0|2,0,0]=4 3737 B8R0.6 CC\C(\C)=C\CCC=O Amb25779371 [0,2,0,0,0,0|2,0,0]=4 3738 B8R0.6 CNC(=O)CSCC=C Amb18411972 [0,2,0,0,0,0|2,0,0]=4 3739 B8R0.6 CNC(=O)CSCC=O Amb25683635 [0,2,0,0,0,0|1,0,0]=3 3740 B8R0.6 CNCCNC(=O)OC Amb19027453 [0,2,0,0,0,0|2,0,0]=4 3741 B8R0.6 COC(=O)CCCC=C Amb22730759 [0,2,0,0,0,0|1,0,0]=3 3742 B8R0.6 COC(=O)CCCCN Amb18642844 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.6 COC(=O)CCCCO Amb22641583 [0,2,0,0,0,0|0,0,2]=4 3744 B8R0.6 COC(=O)CCCON Amb25266351 [0,2,0,0,0,0|0,0,2]=4 3745 B8R0.6 COC(=O)CCCSC Amb19878350 [0,2,0,0,0,0|0,1,1]=4 3746 B8R0.6 COC(=O)CCC[Zn]Br Amb22898091 [0,2,0,0,0,0|1,0,1]=4 3747 B8R0.6 COC(=O)CCN=[N+]=[N-] Amb22900901 [0,2,0,0,0,0|2,0,0]=4 3748 B8R0.6 COC(=O)CCNC=O Amb22234963 [0,2,0,0,0,0|0,0,0]=2 3749 B8R0.6 COC(=O)COCC=O Amb25094456 [0,2,0,0,0,0|0,0,0]=2 3750 B8R0.6 COC(=O)COCCN Amb24401799 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.6 COC(=O)COCCO Amb24113538 [0,2,0,0,0,0|0,0,2]=4 3752 B8R0.6 COC(=O)CSCCBr Amb25662052 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.6 COC(=O)CSCCCl Amb24340126 [0,2,0,0,0,0|1,0,1]=4 3754 B8R0.6 COC(=O)CSCCF Amb25821146 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.6 COC(=O)CSCCN Amb19268671 [0,2,0,0,0,0|1,0,1]=4 3756 B8R0.6 COC(=O)C\C=C\CCl Amb25084500 [0,2,0,0,0,0|1,0,1]=4 3757 B8R0.6 COC(=O)C\C=C\CN Amb25146041 [0,2,0,0,0,0|1,0,1]=4 3758 B8R0.6 COC(=O)C\C=C\CO Amb24404592 [0,2,0,0,0,0|0,0,2]=4 3759 B8R0.6 COC(=O)NCCC#C Amb24477847 [0,2,0,0,0,0|1,0,1]=4 3760 B8R0.6 COC(=O)NCCC=O Amb18642833 [0,2,0,0,0,0|0,0,0]=2 3761 B8R0.6 COC(=O)NCCSC Amb24379130 [0,2,0,0,0,0|2,0,0]=4 3762 B8R0.6 COC(=O)N\C=C\C=O Amb18642693 [0,2,0,0,0,0|0,0,2]=4 3763 B8R0.6 COC(=O)OCCCBr Amb25361096 [0,2,0,0,0,0|1,0,1]=4 3764 B8R0.6 COC(=O)OCCCF Amb24088642 [0,2,0,0,0,0|1,0,1]=4 3765 B8R0.6 COC(=O)O\C=C\C=O Amb24710105 [0,2,0,0,0,0|0,0,2]=4 3766 B8R0.6 COC(=O)\C=C/NC=O Amb24399087 [0,2,0,0,0,0|0,0,2]=4 3767 B8R0.6 COC(=O)\C=C\NC=O Amb25024658 [0,2,0,0,0,0|0,0,2]=4 3768 B8R0.6 COC(=S)SCCC=C Amb24645785 [0,2,0,0,0,0|1,1,0]=4 3769 B8R0.6 COC(C)CCNC=O Amb24625265 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.6 CSCCCC(=O)NO Amb25805629 [0,2,0,0,0,0|0,1,1]=4 3771 B8R0.6 CSCSCC(=O)OC Amb25162165 [0,2,0,0,0,0|2,0,0]=4 3772 B8R0.6 C\C(=C/COC=O)\C=O Amb25743465 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.6 C\C(=C\CCC=O)\C#N Amb18642102 [0,2,0,0,0,0|2,0,0]=4 3774 B8R0.6 C\C(\C=C)=C/CCC=O Amb24578154 [0,2,0,0,0,0|2,0,0]=4 3775 B8R0.6 C\C(\C=C)=C\CCC=O Amb18642241 [0,2,0,0,0,0|2,0,0]=4 3776 B8R0.6 C\C(\CCl)=C/CCC=O Amb25162763 [0,2,0,0,0,0|2,0,0]=4 3777 B8R0.6 C\C(\CCl)=C\CCC=O Amb18644305 [0,2,0,0,0,0|2,0,0]=4 3778 B8R0.6 C\C(\CO)=C/CCC=O Amb24513719 [0,2,0,0,0,0|1,0,0]=3 3779 B8R0.6 C\C(\CO)=C\CCC=O Amb18642621 [0,2,0,0,0,0|1,0,0]=3 3780 B8R0.6 C\C(\CSCC=C)=N\O Amb24481897 [0,2,0,0,0,0|2,0,0]=4 3781 B8R0.6 C\C=C\CCC(=O)C=C Amb25179659 [0,2,0,0,0,0|2,0,0]=4 3782 B8R0.6 C\C=C\CCC(=O)NC Amb25339401 [0,2,0,0,0,0|2,0,0]=4 3783 B8R0.6 N#CCSCC(=O)NO Amb25740144 [0,2,0,0,0,0|1,0,1]=4 3784 B8R0.6 NCCCCC(=O)NO Amb24333337 [0,2,0,0,0,0|1,0,1]=4 3785 B8R0.6 NCCCCC(=O)OC Amb13951283 [0,2,0,0,0,0|1,0,1]=4 3786 B8R0.6 O=CCCCC(=O)C=O Amb25093725 [0,2,0,0,0,0|0,0,1]=3 3787 B8R0.6 O=CCCOC(=O)CBr Amb24727827 [0,2,0,0,0,0|1,0,0]=3 3788 B8R0.6 OC(CCCC=O)C=O Amb18642788 [0,2,0,0,0,0|0,0,1]=3 3789 B8R0.6 OCC(O)CCCC=O Amb25253900 [0,2,0,0,0,0|0,0,2]=4 3790 B8R0.6 OCCOCC(=O)CO Amb25357331 [0,2,0,0,0,0|0,0,2]=4 3791 B8R0.6 O\C(=C\C=C/C=O)\C=O Amb24634733 [0,2,0,0,0,0|0,0,2]=4 3792 B8R0.6 [C-]#[N+]CCNC(=O)OC Amb24728450 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.8 C#CCCC(=O)C(O)=O Amb24657416 [0,2,0,0,0,0|1,0,1]=4 3794 B8R0.8 C#CCC[C@@H](N)C(O)=O Amb24088809 [0,2,0,0,0,0|1,0,1]=4 3795 B8R0.8 C#CCC[C@H](N)C(O)=O Amb24088866 [0,2,0,0,0,0|1,0,1]=4 3796 B8R0.8 C=C(CCC=C)C(O)=O Amb18642395 [0,2,0,0,0,0|1,0,0]=3 3797 B8R0.8 C=C(CCCN)C(O)=O Amb18642697 [0,2,0,0,0,0|1,0,1]=4 3798 B8R0.8 C=C(CCON)C(O)=O Amb25859256 [0,2,0,0,0,0|2,0,0]=4 3799 B8R0.8 C=C(C\C=C/Cl)C(O)=O Amb24462692 [0,2,0,0,0,0|1,0,1]=4 3800 B8R0.8 C=C(C\C=C\Cl)C(O)=O Amb25174909 [0,2,0,0,0,0|1,0,1]=4 3801 B8R0.8 C=C=CCC(N)C(N)=O Amb24381912 [0,2,0,0,0,0|2,0,0]=4 3802 B8R0.8 C=C=CCC(N)C(O)=O Amb25843448 [0,2,0,0,0,0|1,0,0]=3 3803 B8R0.8 C=C=CC[C@H](N)C(O)=O Amb24355608 [0,2,0,0,0,0|1,0,0]=3 3804 B8R0.8 C=CCCC(=O)C(O)=O Amb25738669 [0,2,0,0,0,0|1,0,0]=3 3805 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [0,2,0,0,0,0|1,0,0]=3 3806 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [0,2,0,0,0,0|2,0,0]=4 3807 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.8 C=CCOC(=O)C(O)O Amb25279795 [0,2,0,0,0,0|2,0,0]=4 3810 B8R0.8 C=CCOC(F)C(O)=O Amb24478688 [0,2,0,0,0,0|1,0,0]=3 3811 B8R0.8 C=C\C=C\C(N)C(O)=O Amb24476635 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.8 CC#CCC(N)C(O)=O Amb18988250 [0,2,0,0,0,0|1,0,1]=4 3813 B8R0.8 CC#CCC(O)C(O)=O Amb25213344 [0,2,0,0,0,0|1,0,1]=4 3814 B8R0.8 CC#CC[C@@H](C)C(O)=O Amb24589724 [0,2,0,0,0,0|1,0,1]=4 3815 B8R0.8 CC#CC[C@@H](N)C(O)=O Amb22746783 [0,2,0,0,0,0|1,0,1]=4 3816 B8R0.8 CC(=O)N(C)COC=O Amb24069118 [0,2,0,0,0,0|2,0,0]=4 3817 B8R0.8 CC(C(=O)O)CNCC Amb13952782 [0,2,0,0,0,0|1,0,1]=4 3818 B8R0.8 CC(C(=O)O)SCCN Amb17500447 [0,2,0,0,0,0|1,0,1]=4 3819 B8R0.8 CC(C(=O)OCC=C)O Amb17593366 [0,2,0,0,0,0|2,0,0]=4 3820 B8R0.8 CC(C)=C(C)CCC=O Amb24373951 [0,2,0,0,0,0|2,0,0]=4 3821 B8R0.8 CC(C)C(=C)CCC=O Amb25785574 [0,2,0,0,0,0|2,0,0]=4 3822 B8R0.8 CC(C)C(=O)CCC=O Amb18642637 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.8 CC(C)C(=O)CNC=O Amb23442769 [0,2,0,0,0,0|2,0,0]=4 3824 B8R0.8 CC(C)C(O)CCC=O Amb24390738 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.8 CC(CC=C=C)C(C)=O Amb25341992 [0,2,0,0,0,0|2,0,0]=4 3826 B8R0.8 CC(CCC#N)C(O)=O Amb24462559 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.8 CC(CCC=O)C(C)=C Amb18642472 [0,2,0,0,0,0|2,0,0]=4 3829 B8R0.8 CC(CCC=O)C(C)=O Amb18642650 [0,2,0,0,0,0|1,0,0]=3 3830 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [0,2,0,0,0,0|0,0,0]=2 3831 B8R0.8 CC(CCCBr)C(O)=O Amb25321670 [0,2,0,0,0,0|1,0,1]=4 3832 B8R0.8 CC(CCCF)C(O)=O Amb25244585 [0,2,0,0,0,0|1,0,1]=4 3833 B8R0.8 CC(CCCN)C(O)=O Amb25146072 [0,2,0,0,0,0|1,0,1]=4 3834 B8R0.8 CC(CN=[N+]=[N-])C(O)=O Amb25786485 [0,2,0,0,0,0|2,0,0]=4 3835 B8R0.8 CC(CNC=O)C(C)=O Amb24095657 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.8 CC(CNC=O)C(N)=S Amb25147027 [0,2,0,0,0,0|1,1,0]=4 3837 B8R0.8 CC(CNC=O)C(O)=O Amb18299693 [0,2,0,0,0,0|0,0,0]=2 3838 B8R0.8 CC(NCC=C)C(C)=O Amb18642525 [0,2,0,0,0,0|2,0,0]=4 3839 B8R0.8 CC(NCCCl)C(O)=O Amb25145942 [0,2,0,0,0,0|1,0,1]=4 3840 B8R0.8 CC(NCCN)C(O)=O Amb18523860 [0,2,0,0,0,0|1,0,1]=4 3841 B8R0.8 CC(O)C(=O)CCC#C Amb25298620 [0,2,0,0,0,0|1,0,1]=4 3842 B8R0.8 CC(O)C(=O)CCC=C Amb25137415 [0,2,0,0,0,0|1,0,0]=3 3843 B8R0.8 CC(O)C(=O)\C=C/C=O Amb18642575 [0,2,0,0,0,0|0,0,2]=4 3844 B8R0.8 CC(OCC=O)C(C)=O Amb24340213 [0,2,0,0,0,0|1,0,0]=3 3845 B8R0.8 CC(OCCCl)C(O)=O Amb24481693 [0,2,0,0,0,0|1,0,1]=4 3846 B8R0.8 CC(OCCN)C(O)=O Amb18630157 [0,2,0,0,0,0|1,0,1]=4 3847 B8R0.8 CC(OCCN)C(O)=O Amb22546285 [0,2,0,0,0,0|1,0,1]=4 3848 B8R0.8 CC(SCC=C)C(C)=O Amb24584385 [0,2,0,0,0,0|2,0,0]=4 3849 B8R0.8 CC(SCC=C)C(N)=O Amb24502354 [0,2,0,0,0,0|2,0,0]=4 3850 B8R0.8 CC(SCCF)C(O)=O Amb25314013 [0,2,0,0,0,0|1,0,1]=4 3851 B8R0.8 CCCCC(=C)C(O)=O Amb18642649 [0,2,0,0,0,0|1,0,1]=4 3852 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [0,2,0,0,0,0|1,0,1]=4 3853 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [0,2,0,0,0,0|1,0,1]=4 3854 B8R0.8 CCCCC(=O)[C@@H](C)O Amb25829551 [0,2,0,0,0,0|1,0,1]=4 3855 B8R0.8 CCCCC(=O)[C@H](C)O Amb25097116 [0,2,0,0,0,0|1,0,1]=4 3856 B8R0.8 CCCCC(C(=O)O)Cl Amb17593750 [0,2,0,0,0,0|1,0,1]=4 3857 B8R0.8 CCCCC(F)C(O)=O Amb25238781 [0,2,0,0,0,0|1,0,1]=4 3858 B8R0.8 CCCCC(S)C(O)=O Amb25323873 [0,2,0,0,0,0|1,0,1]=4 3859 B8R0.8 CCCC[C@@H](Br)C(O)=O Amb24377169 [0,2,0,0,0,0|1,0,1]=4 3860 B8R0.8 CCCC[C@@H](C(=O)O)N Amb1995007 [0,2,0,0,0,0|1,0,1]=4 3861 B8R0.8 CCCC[C@@H](C)C(O)=O Amb24590691 [0,2,0,0,0,0|1,0,1]=4 3862 B8R0.8 CCCC[C@@H](S)C(O)=O Amb24478188 [0,2,0,0,0,0|1,0,1]=4 3863 B8R0.8 CCCC[C@H](C(=O)O)N Amb1995006 [0,2,0,0,0,0|1,0,1]=4 3864 B8R0.8 CCCC[C@H](C)C(O)=O Amb25850678 [0,2,0,0,0,0|1,0,1]=4 3865 B8R0.8 CCCO[C@H](C)C(O)=O Amb25721817 [0,2,0,0,0,0|1,0,1]=4 3866 B8R0.8 CCOCC(Cl)C(O)=O Amb24481790 [0,2,0,0,0,0|1,0,1]=4 3867 B8R0.8 CCOCC(O)C(O)=O Amb25804394 [0,2,0,0,0,0|1,0,1]=4 3868 B8R0.8 CCOC[C@@H](C)C(O)=O Amb25790635 [0,2,0,0,0,0|1,0,1]=4 3869 B8R0.8 CCOC[C@H](N)C(O)=O Amb22737184 [0,2,0,0,0,0|1,0,1]=4 3870 B8R0.8 CCOC[C@H](N)C(O)=O Amb24478577 [0,2,0,0,0,0|1,0,1]=4 3871 B8R0.8 CCOC[C@H](O)C(O)=O Amb24340099 [0,2,0,0,0,0|1,0,1]=4 3872 B8R0.8 CCSC[C@@H](N)C(O)=O Amb22800347 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.8 CC\C=C\C(C)C(O)=O Amb18642633 [0,2,0,0,0,0|1,0,1]=4 3874 B8R0.8 CC\C=C\C(N)C(O)=O Amb18642708 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.8 CN(CCC=O)C(N)=O Amb25146044 [0,2,0,0,0,0|1,0,0]=3 3876 B8R0.8 CN(O)C(=O)CCCO Amb24611871 [0,2,0,0,0,0|0,0,2]=4 3877 B8R0.8 CNCCC(C)C(O)=O Amb24641803 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.8 CNCCC(O)C(O)=O Amb24540612 [0,2,0,0,0,0|1,0,1]=4 3879 B8R0.8 CNCC[C@H](N)C(O)=O Amb24427654 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.8 COCCC(C)C(O)=O Amb18523823 [0,2,0,0,0,0|0,0,2]=4 3881 B8R0.8 COCC[C@@H](C(=O)O)N Amb16183872 [0,2,0,0,0,0|0,0,2]=4 3882 B8R0.8 COCC[C@H](C(=O)O)N Amb16183870 [0,2,0,0,0,0|0,0,2]=4 3883 B8R0.8 COCC[C@H](C)C(O)=O Amb24392969 [0,2,0,0,0,0|0,0,2]=4 3884 B8R0.8 COCC[C@H](N)C(O)=O Amb24054991 [0,2,0,0,0,0|0,0,2]=4 3885 B8R0.8 COCO[C@@H](C)C(O)=O Amb25682837 [0,2,0,0,0,0|2,0,0]=4 3886 B8R0.8 COCO[C@H](C)C(O)=O Amb25706272 [0,2,0,0,0,0|2,0,0]=4 3887 B8R0.8 CONCC(N)C(O)=O Amb24392137 [0,2,0,0,0,0|1,0,1]=4 3888 B8R0.8 CONC[C@H](N)C(O)=O Amb25376688 [0,2,0,0,0,0|1,0,1]=4 3889 B8R0.8 CO\C=C/C(C)C(O)=O Amb18642780 [0,2,0,0,0,0|0,0,2]=4 3890 B8R0.8 CO\C=C\C(C)C(O)=O Amb25188040 [0,2,0,0,0,0|0,0,2]=4 3891 B8R0.8 CO\C=C\C(N)C(O)=O Amb18642835 [0,2,0,0,0,0|0,0,2]=4 3892 B8R0.8 CO\C=C\[C@H](N)C(O)=O Amb24478831 [0,2,0,0,0,0|0,0,2]=4 3893 B8R0.8 CPOCC(N)C(O)=O Amb24423934 [0,2,0,0,0,0|2,0,0]=4 3894 B8R0.8 CSCCC(=O)C(O)=O Amb18643588 [0,2,0,0,0,0|2,0,0]=4 3895 B8R0.8 CSCCC(=O)C(O)=O Amb22274154 [0,2,0,0,0,0|2,0,0]=4 3896 B8R0.8 CSCCC(Br)C(O)=O Amb24682715 [0,2,0,0,0,0|0,1,1]=4 3897 B8R0.8 CSCCC(C(=O)O)N Amb1154122 [0,2,0,0,0,0|0,1,1]=4 3898 B8R0.8 CSCCC(C)C(O)=O Amb24739356 [0,2,0,0,0,0|0,1,1]=4 3899 B8R0.8 CSCCC(N)C(O)=O Amb22168296 [0,2,0,0,0,0|0,1,1]=4 3900 B8R0.8 CSCCC(N)C(O)=O Amb22732346 [0,2,0,0,0,0|0,1,1]=4 3901 B8R0.8 CSCCC(N)[13C](O)=O Amb22336208 [0,2,0,0,0,0|0,1,1]=4 3902 B8R0.8 CSCCC(O)C(O)=O Amb18304609 [0,2,0,0,0,0|0,1,1]=4 3903 B8R0.8 CSCC[C@@H](O)C(O)=O Amb25124092 [0,2,0,0,0,0|0,1,1]=4 3904 B8R0.8 CSCC[C@@H](S)C(O)=O Amb24340077 [0,2,0,0,0,0|0,1,1]=4 3905 B8R0.8 CSCC[C@H](Br)C(O)=O Amb25239326 [0,2,0,0,0,0|0,1,1]=4 3906 B8R0.8 CSCC[C@H](N)C(O)=O Amb17942996 [0,2,0,0,0,0|0,1,1]=4 3907 B8R0.8 CSCC[C@H](N)C(O)=O Amb22351191 [0,2,0,0,0,0|0,1,1]=4 3908 B8R0.8 CSCC[C@H]([15NH2])C(O)=O Amb22353588 [0,2,0,0,0,0|0,1,1]=4 3909 B8R0.8 CSOC[C@H](N)C(O)=O Amb24428229 [0,2,0,0,0,0|1,1,0]=4 3910 B8R0.8 CS[13CH2][13CH2][13CH]([13C](=O)O)O Amb17615592 [0,2,0,0,0,0|0,1,1]=4 3911 B8R0.8 C[C@@H](C(=O)OCC=C)O Amb16191895 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.8 C[C@@H](CCC=C)C(C)=O Amb25114180 [0,2,0,0,0,0|2,0,0]=4 3913 B8R0.8 C[C@@H](CCCBr)C(O)=O Amb24480227 [0,2,0,0,0,0|1,0,1]=4 3914 B8R0.8 C[C@@H](NCC#N)C(O)=O Amb24481672 [0,2,0,0,0,0|1,0,1]=4 3915 B8R0.8 C[C@@H](NCC=C)C(O)=O Amb24481671 [0,2,0,0,0,0|1,0,0]=3 3916 B8R0.8 C[C@@H](O)[C@@H](O)CCC=O Amb24469407 [0,2,0,0,0,0|0,0,2]=4 3917 B8R0.8 C[C@@H](OCC#N)C(O)=O Amb25050099 [0,2,0,0,0,0|1,0,1]=4 3918 B8R0.8 C[C@H](C(=O)O)CSCC Amb10844108 [0,2,0,0,0,0|1,0,1]=4 3919 B8R0.8 C[C@H](CCC#N)C(O)=O Amb25790580 [0,2,0,0,0,0|1,0,1]=4 3920 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [0,2,0,0,0,0|1,0,0]=3 3921 B8R0.8 C[C@H](CCCBr)C(O)=O Amb24480175 [0,2,0,0,0,0|1,0,1]=4 3922 B8R0.8 C[C@H](CN=[N+]=[N-])C(O)=O Amb24399279 [0,2,0,0,0,0|2,0,0]=4 3923 B8R0.8 C[C@H](NCC#C)C(O)=O Amb25697652 [0,2,0,0,0,0|1,0,1]=4 3924 B8R0.8 C[C@H](O)C(=O)CCC=O Amb25069752 [0,2,0,0,0,0|0,0,0]=2 3925 B8R0.8 C[C@H](O)C(=O)NCC=C Amb25132137 [0,2,0,0,0,0|2,0,0]=4 3926 B8R0.8 C[C@H](OCC#C)C(O)=O Amb25852095 [0,2,0,0,0,0|1,0,1]=4 3927 B8R0.8 C[Se]CCC(N)C(O)=O Amb20619393 [0,2,0,0,0,0|0,1,1]=4 3928 B8R0.8 C[Se]CC[C@H](C(=O)O)N Amb10601590 [0,2,0,0,0,0|0,1,1]=4 3929 B8R0.8 C\C(=C/CC=C)\C(O)=O Amb18642394 [0,2,0,0,0,0|1,0,1]=4 3930 B8R0.8 C\C(=C\CC=C)\C(O)=O Amb25264925 [0,2,0,0,0,0|1,0,1]=4 3931 B8R0.8 C\C=C/CC(F)C(C)=O Amb25829411 [0,2,0,0,0,0|2,0,0]=4 3932 B8R0.8 C\C=C/CC(O)C(C)=O Amb24551722 [0,2,0,0,0,0|2,0,0]=4 3933 B8R0.8 C\C=C/C[C@H](N)C(O)=O Amb24713154 [0,2,0,0,0,0|1,0,0]=3 3934 B8R0.8 C\C=C/C[C@H](O)C(C)=O Amb25087742 [0,2,0,0,0,0|2,0,0]=4 3935 B8R0.8 C\C=C\CC(=O)C(O)=O Amb18642583 [0,2,0,0,0,0|1,0,1]=4 3936 B8R0.8 C\C=C\CC(C)C(O)=O Amb18642630 [0,2,0,0,0,0|1,0,0]=3 3937 B8R0.8 C\C=C\CC(F)C(C)=O Amb24516319 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [0,2,0,0,0,0|2,0,0]=4 3939 B8R0.8 C\C=C\CC(O)C(O)=O Amb18642742 [0,2,0,0,0,0|1,0,0]=3 3940 B8R0.8 C\C=C\C[C@@H](N)C(O)=O Amb24632390 [0,2,0,0,0,0|1,0,0]=3 3941 B8R0.8 NC(C(=O)O)CCON Amb17593409 [0,2,0,0,0,0|0,0,2]=4 3942 B8R0.8 NC(C(=O)O)CSC#N Amb17593655 [0,2,0,0,0,0|1,0,1]=4 3943 B8R0.8 NC(CCC#N)C(O)=O Amb18642589 [0,2,0,0,0,0|1,0,1]=4 3944 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [0,2,0,0,0,0|0,0,0]=2 3945 B8R0.8 NC(CCCBr)C(O)=O Amb24480263 [0,2,0,0,0,0|1,0,1]=4 3946 B8R0.8 NC(CCCCl)C(O)=O Amb24472387 [0,2,0,0,0,0|1,0,1]=4 3947 B8R0.8 NC(CCCF)C(O)=O Amb25366994 [0,2,0,0,0,0|1,0,1]=4 3948 B8R0.8 NC(CCCO)C(O)=O Amb18642915 [0,2,0,0,0,0|0,0,2]=4 3949 B8R0.8 NC(CCCO)C(O)=O Amb22900028 [0,2,0,0,0,0|0,0,2]=4 3950 B8R0.8 NC(CN=C=O)C(O)=O Amb24423805 [0,2,0,0,0,0|0,0,1]=3 3951 B8R0.8 NC(COCO)C(O)=O Amb24731952 [0,2,0,0,0,0|0,0,2]=4 3952 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [0,2,0,0,0,0|0,0,0]=2 3953 B8R0.8 NC(\C=C\CO)C(O)=O Amb24586215 [0,2,0,0,0,0|0,0,2]=4 3954 B8R0.8 NC(\C=C\CP)C(O)=O Amb24351617 [0,2,0,0,0,0|1,0,1]=4 3955 B8R0.8 NCCCC(=O)C(O)=O Amb24081348 [0,2,0,0,0,0|1,0,1]=4 3956 B8R0.8 NCCCC(C(=O)O)Br Amb17595166 [0,2,0,0,0,0|1,0,1]=4 3957 B8R0.8 NCCCC(Cl)C(O)=O Amb24626933 [0,2,0,0,0,0|1,0,1]=4 3958 B8R0.8 NCCCC(N)C(O)=O Amb22489477 [0,2,0,0,0,0|1,0,1]=4 3959 B8R0.8 NCCCC(N)C(O)=O Amb22492665 [0,2,0,0,0,0|1,0,1]=4 3960 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [0,2,0,0,0,0|1,0,1]=4 3961 B8R0.8 NCCC[C@@H](N)C(O)=O Amb22801212 [0,2,0,0,0,0|1,0,1]=4 3962 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [0,2,0,0,0,0|1,0,1]=4 3963 B8R0.8 NCCC[C@@H]([NH3+])C(=O)O Amb10807472 [0,2,0,0,0,0|1,0,1]=4 3964 B8R0.8 NCCC[C@H](N)C(O)=O Amb20240598 [0,2,0,0,0,0|1,0,1]=4 3965 B8R0.8 NCCSC(F)C(O)=O Amb24478685 [0,2,0,0,0,0|1,0,1]=4 3966 B8R0.8 NC\C=C\C(N)C(O)=O Amb18642793 [0,2,0,0,0,0|1,0,1]=4 3967 B8R0.8 NC\C=C\[C@H](N)C(O)=O Amb24580033 [0,2,0,0,0,0|1,0,1]=4 3968 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [0,2,0,0,0,0|0,0,2]=4 3969 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [0,2,0,0,0,0|0,0,2]=4 3970 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [0,2,0,0,0,0|0,0,2]=4 3971 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [0,2,0,0,0,0|0,0,0]=2 3972 B8R0.8 N[C@@H](CCCN)C(O)=O Amb22746434 [0,2,0,0,0,0|1,0,1]=4 3973 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24117852 [0,2,0,0,0,0|0,0,2]=4 3974 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24666196 [0,2,0,0,0,0|0,0,2]=4 3975 B8R0.8 N[C@@H](CN=C=S)C(O)=O Amb24473247 [0,2,0,0,0,0|0,1,1]=4 3976 B8R0.8 N[C@@H](CNC#N)C(O)=O Amb24551015 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.8 N[C@@H](C\C=C\Cl)C(O)=O Amb25774032 [0,2,0,0,0,0|1,0,0]=3 3978 B8R0.8 N[C@H](C(=O)O)CCC#N Amb16183912 [0,2,0,0,0,0|1,0,1]=4 3979 B8R0.8 N[C@H](CCC#N)C(O)=O Amb25063958 [0,2,0,0,0,0|1,0,1]=4 3980 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [0,2,0,0,0,0|0,0,0]=2 3981 B8R0.8 N[C@H](C\C=C\Cl)C(O)=O Amb25114338 [0,2,0,0,0,0|1,0,0]=3 3982 B8R0.8 O=CCNC(=O)C(C)C Amb17102056 [0,2,0,0,0,0|2,0,0]=4 3983 B8R0.8 O=CCNC(=O)C(Cl)Cl Amb25295497 [0,2,0,0,0,0|2,0,0]=4 3984 B8R0.8 OC(=O)C(=O)CCCBr Amb24711405 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.8 OC(=O)C(=O)CCCCl Amb25274323 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.8 OC(=O)C(=O)\C=C\C=O Amb24392793 [0,2,0,0,0,0|0,0,2]=4 3987 B8R0.8 OC(=O)C(Br)CCCBr Amb22001929 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.8 OC(=O)C(CCCCl)Br Amb17595866 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.8 OC(=O)C(F)CCCCl Amb24683810 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.8 OC(CNC=O)C(O)=O Amb25126146 [0,2,0,0,0,0|0,0,0]=2 3991 B8R0.8 OCCCC(Cl)C(O)=O Amb25760339 [0,2,0,0,0,0|0,0,2]=4 3992 B8R0.8 OCCCC(O)C(O)=O Amb18642939 [0,2,0,0,0,0|0,0,2]=4 3993 B8R0.8 OCCC[C@@H](C(=O)O)N Amb16183887 [0,2,0,0,0,0|0,0,2]=4 3994 B8R0.8 OCCC[C@H](O)C(O)=O Amb24744314 [0,2,0,0,0,0|0,0,2]=4 3995 B8R0.8 O[C@@H](CNC=O)C(O)=O Amb24453193 [0,2,0,0,0,0|0,0,0]=2 3996 B8R0.8 [13CH3]SCCC(N)C(O)=O Amb22351494 [0,2,0,0,0,0|0,1,1]=4 3997 B8R0.8 [13CH3][Se]CCC(N)C(O)=O Amb22367237 [0,2,0,0,0,0|0,1,1]=4 3998 B8R0.8 [N-]=[N+]=NC[C@H](N)C(O)=O Amb25072668 [0,2,0,0,0,0|2,0,0]=4 3999 B8R0.9 BC(=O)NCC(=O)OC Amb22343192 [0,2,0,0,0,0|1,0,0]=3 4000 B8R0.9 BC(=O)NCC(=O)OC Amb25264831 [0,2,0,0,0,0|1,0,0]=3 4001 B8R0.9 BOC(O)=CCC(O)=O Amb25179903 [0,2,0,0,0,0|0,0,2]=4 4002 B8R0.9 C#CC(=O)NCC(N)=O Amb24732631 [0,2,0,0,0,0|2,0,0]=4 4003 B8R0.9 C#CC(N)CCC(O)=O Amb22352566 [0,2,0,0,0,0|1,0,1]=4 4004 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [0,2,0,0,0,0|2,0,0]=4 4005 B8R0.9 C=C(CCC(O)=O)C#N Amb24465180 [0,2,0,0,0,0|1,0,0]=3 4006 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [0,2,0,0,0,0|1,0,0]=3 4007 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [0,2,0,0,0,0|0,0,0]=2 4008 B8R0.9 C=CC(Cl)COC(=O)F Amb24355852 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [0,2,0,0,0,0|1,0,0]=3 4010 B8R0.9 C=CC(N)\C=C\C(O)=O Amb18642503 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [0,2,0,0,0,0|1,0,0]=3 4012 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [0,2,0,0,0,0|1,0,0]=3 4013 B8R0.9 CC(=CCC(O)=O)C#N Amb25175102 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.9 CC(=O)C#CC(=O)OC Amb25031911 [0,2,0,0,0,0|0,0,2]=4 4015 B8R0.9 CC(=O)CCC(=C)C#N Amb25086729 [0,2,0,0,0,0|2,0,0]=4 4016 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [0,2,0,0,0,0|1,0,0]=3 4017 B8R0.9 CC(=O)CCC(=C)CC Amb24433642 [0,2,0,0,0,0|2,0,0]=4 4018 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [0,2,0,0,0,0|1,0,0]=3 4019 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [0,2,0,0,0,0|0,0,1]=3 4020 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,2,0,0,0,0|1,0,0]=3 4021 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [0,2,0,0,0,0|1,0,0]=3 4022 B8R0.9 CC(=O)CCC(Cl)CO Amb25274671 [0,2,0,0,0,0|1,0,1]=4 4023 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,2,0,0,0,0|1,0,1]=4 4024 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [0,2,0,0,0,0|1,0,1]=4 4025 B8R0.9 CC(=O)CCC(O)C=C Amb24614737 [0,2,0,0,0,0|1,0,1]=4 4026 B8R0.9 CC(=O)CCC(O)CCl Amb25118823 [0,2,0,0,0,0|1,0,1]=4 4027 B8R0.9 CC(=O)CNC(=O)C=C Amb25162799 [0,2,0,0,0,0|2,0,0]=4 4028 B8R0.9 CC(=O)CNC(=O)CC Amb25292227 [0,2,0,0,0,0|2,0,0]=4 4029 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.9 CC(=O)CNC(=O)NC Amb25228227 [0,2,0,0,0,0|2,0,0]=4 4031 B8R0.9 CC(=O)COC(=O)C=O Amb18642738 [0,2,0,0,0,0|1,0,1]=4 4032 B8R0.9 CC(=O)COC(=O)OC Amb25177471 [0,2,0,0,0,0|1,0,0]=3 4033 B8R0.9 CC(=O)CSC(=O)OC Amb25318847 [0,2,0,0,0,0|1,0,0]=3 4034 B8R0.9 CC(=O)NCC(=O)CBr Amb24590234 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.9 CC(=O)NCC(=O)CC Amb23555728 [0,2,0,0,0,0|2,0,0]=4 4036 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,2,0,0,0,0|1,0,0]=3 4038 B8R0.9 CC(=O)NCC(=S)OC Amb25041236 [0,2,0,0,0,0|1,1,0]=4 4039 B8R0.9 CC(=O)NC\C(\N)=N/O Amb19650814 [0,2,0,0,0,0|2,0,0]=4 4040 B8R0.9 CC(=O)NC\C(\N)=N\O Amb21912454 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.9 CC(=O)NNC(=O)OC Amb24677256 [0,2,0,0,0,0|2,0,0]=4 4042 B8R0.9 CC(=O)OCC(=C)C=O Amb25050286 [0,2,0,0,0,0|1,0,1]=4 4043 B8R0.9 CC(=O)OCC(=O)C=C Amb17607380 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,2,0,0,0,0|2,0,0]=4 4045 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.9 CC(=O)OCC(=O)CS Amb24456592 [0,2,0,0,0,0|1,1,0]=4 4047 B8R0.9 CC(=O)OCC(Br)C=C Amb24480093 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.9 CC(=O)OC[C@H](O)C=C Amb24395445 [0,2,0,0,0,0|2,0,0]=4 4049 B8R0.9 CC(=O)ONC(=O)CO Amb24431913 [0,2,0,0,0,0|2,0,0]=4 4050 B8R0.9 CC(=O)\C=C/C(=O)OC Amb25031885 [0,2,0,0,0,0|0,0,2]=4 4051 B8R0.9 CC(=O)\C=C/C(O)C=O Amb24478568 [0,2,0,0,0,0|1,0,1]=4 4052 B8R0.9 CC(=O)\C=C\C(=O)CO Amb24686389 [0,2,0,0,0,0|0,0,2]=4 4053 B8R0.9 CC(=O)\C=C\C(=O)OC Amb22336182 [0,2,0,0,0,0|0,0,2]=4 4054 B8R0.9 CC(=O)\C=C\C(S)C=O Amb24387673 [0,2,0,0,0,0|1,0,1]=4 4055 B8R0.9 CC(C#C)OCC(O)=O Amb25092433 [0,2,0,0,0,0|1,0,1]=4 4056 B8R0.9 CC(C#N)NCC(O)=O Amb18293465 [0,2,0,0,0,0|1,0,1]=4 4057 B8R0.9 CC(C#N)SCC(O)=O Amb18293809 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,2,0,0,0,0|1,0,1]=4 4059 B8R0.9 CC(C=C)NCC(N)=O Amb24592190 [0,2,0,0,0,0|2,0,0]=4 4060 B8R0.9 CC(C=C)NCC(O)=O Amb18310594 [0,2,0,0,0,0|1,0,0]=3 4061 B8R0.9 CC(C=C)OCC(O)=O Amb18642764 [0,2,0,0,0,0|1,0,0]=3 4062 B8R0.9 CC(C=C)SCC(O)=O Amb18311113 [0,2,0,0,0,0|1,0,0]=3 4063 B8R0.9 CC(C=O)OCC(C)=C Amb24721740 [0,2,0,0,0,0|2,0,0]=4 4064 B8R0.9 CC(CBr)CCC(O)=O Amb25806134 [0,2,0,0,0,0|1,0,1]=4 4065 B8R0.9 CC(CC=C(C)C)C=O Amb18642441 [0,2,0,0,0,0|2,0,0]=4 4066 B8R0.9 CC(CCC(=C)Cl)C=O Amb24532891 [0,2,0,0,0,0|2,0,0]=4 4067 B8R0.9 CC(CCC(C)=C)C=O Amb18642470 [0,2,0,0,0,0|2,0,0]=4 4068 B8R0.9 CC(CCC(C)=O)=CCl Amb24581923 [0,2,0,0,0,0|2,0,0]=4 4069 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [0,2,0,0,0,0|1,0,0]=3 4070 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [0,2,0,0,0,0|1,0,0]=3 4071 B8R0.9 CC(CCC(C)O)C=O Amb25781383 [0,2,0,0,0,0|1,0,1]=4 4072 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [0,2,0,0,0,0|1,0,0]=3 4073 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [0,2,0,0,0,0|0,0,1]=3 4074 B8R0.9 CC(CCC(O)=O)C#N Amb18642500 [0,2,0,0,0,0|1,0,1]=4 4075 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [0,2,0,0,0,0|1,0,0]=3 4076 B8R0.9 CC(CN)CCC(O)=O Amb22059189 [0,2,0,0,0,0|1,0,1]=4 4077 B8R0.9 CC(CN)OCC(O)=O Amb18629591 [0,2,0,0,0,0|1,0,1]=4 4078 B8R0.9 CC(CO)OCC(O)=O Amb25675017 [0,2,0,0,0,0|0,0,2]=4 4079 B8R0.9 CC(CO)SCC(O)=O Amb18644427 [0,2,0,0,0,0|0,0,2]=4 4080 B8R0.9 CC(COC(C)=O)C=O Amb18642789 [0,2,0,0,0,0|1,0,0]=3 4081 B8R0.9 CC(CSC(N)=S)C=O Amb25147042 [0,2,0,0,0,0|1,1,0]=4 4082 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,2,0,0,0,0|1,0,1]=4 4083 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [0,2,0,0,0,0|1,0,1]=4 4084 B8R0.9 CCC(=O)CCB(O)O Amb24736642 [0,2,0,0,0,0|1,0,1]=4 4085 B8R0.9 CCC(=O)CCC(=O)C Amb17593347 [0,2,0,0,0,0|1,0,0]=3 4086 B8R0.9 CCC(=O)CCC(=O)Cl Amb24420925 [0,2,0,0,0,0|1,0,0]=3 4087 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,2,0,0,0,0|0,0,0]=2 4088 B8R0.9 CCC(=O)CCC(N)=O Amb24669836 [0,2,0,0,0,0|1,0,0]=3 4089 B8R0.9 CCC(=O)CCP(O)=O Amb24748238 [0,2,0,0,0,0|1,0,0]=3 4090 B8R0.9 CCC(=O)CC[N+]([O-])=O Amb25236332 [0,2,0,0,0,0|1,0,1]=4 4091 B8R0.9 CCC(=O)NCC(=O)N Amb17231864 [0,2,0,0,0,0|2,0,0]=4 4092 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,2,0,0,0,0|1,0,0]=3 4093 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [0,2,0,0,0,0|1,0,0]=3 4094 B8R0.9 CCC(=O)\C=C\C(O)=O Amb18642585 [0,2,0,0,0,0|0,0,2]=4 4095 B8R0.9 CCC(=S)SCC(O)=O Amb24480232 [0,2,0,0,0,0|1,1,0]=4 4096 B8R0.9 CCC(C)CCC(O)=O Amb22352932 [0,2,0,0,0,0|1,0,1]=4 4097 B8R0.9 CCC(C)OCC(O)=O Amb18307944 [0,2,0,0,0,0|1,0,1]=4 4098 B8R0.9 CCC(Cl)=CCC(O)=O Amb24580821 [0,2,0,0,0,0|1,0,1]=4 4099 B8R0.9 CCC(N)CCC(O)=O Amb21961489 [0,2,0,0,0,0|1,0,1]=4 4100 B8R0.9 CCC(O)CCC(C)=O Amb24586292 [0,2,0,0,0,0|1,0,1]=4 4101 B8R0.9 CCC(O)NCC(O)=O Amb24445948 [0,2,0,0,0,0|1,0,1]=4 4102 B8R0.9 CCS(=O)CCC(C)=O Amb25765620 [0,2,0,0,0,0|2,0,0]=4 4103 B8R0.9 CC[C@@H](N)CCC(O)=O Amb25065764 [0,2,0,0,0,0|1,0,1]=4 4104 B8R0.9 CC[C@H](C)NCC(O)=O Amb25076151 [0,2,0,0,0,0|1,0,1]=4 4105 B8R0.9 CC[C@H](C)OCC(O)=O Amb25320561 [0,2,0,0,0,0|1,0,1]=4 4106 B8R0.9 CC[C@H](N)CCC(O)=O Amb25835678 [0,2,0,0,0,0|1,0,1]=4 4107 B8R0.9 CC[C@H](O)CCC(N)=O Amb25785287 [0,2,0,0,0,0|1,0,1]=4 4108 B8R0.9 CC[S+](C)CCC(O)=O Amb25794477 [0,2,0,0,0,0|1,0,1]=4 4109 B8R0.9 CN(CCC(N)=O)C=O Amb25146008 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [0,2,0,0,0,0|0,0,0]=2 4111 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [0,2,0,0,0,0|1,0,0]=3 4112 B8R0.9 CN(CCS(C)=O)C=O Amb24716324 [0,2,0,0,0,0|2,0,0]=4 4113 B8R0.9 CNC(=N)NCC(O)=O Amb24655458 [0,2,0,0,0,0|2,0,0]=4 4114 B8R0.9 CNC(=N)SCC(O)=O Amb24403395 [0,2,0,0,0,0|2,0,0]=4 4115 B8R0.9 CNC(=O)CCC(=O)C Amb17334107 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.9 CNC(=O)CCC(=O)N Amb17334114 [0,2,0,0,0,0|1,0,0]=3 4117 B8R0.9 CNC(=O)CCC(O)C Amb17334125 [0,2,0,0,0,0|1,0,1]=4 4118 B8R0.9 CNC(=O)CCS(C)=O Amb24476726 [0,2,0,0,0,0|2,0,0]=4 4119 B8R0.9 CNC(=O)CNC(O)=O Amb24740399 [0,2,0,0,0,0|1,0,0]=3 4120 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,2,0,0,0,0|1,0,0]=3 4121 B8R0.9 CNC(=O)NCC(N)=O Amb24481795 [0,2,0,0,0,0|2,0,0]=4 4122 B8R0.9 CNC(=O)SCC(O)=O Amb24763198 [0,2,0,0,0,0|1,0,0]=3 4123 B8R0.9 CNC(=S)SCC(O)=O Amb24649902 [0,2,0,0,0,0|1,1,0]=4 4124 B8R0.9 CNC(C)CCC(O)=O Amb25339418 [0,2,0,0,0,0|1,0,1]=4 4125 B8R0.9 COC(=N)CNC(N)=O Amb24515695 [0,2,0,0,0,0|2,0,0]=4 4126 B8R0.9 COC(=O)C#CC(O)=O Amb22492669 [0,2,0,0,0,0|0,0,2]=4 4127 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,2,0,0,0,0|1,0,1]=4 4128 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [0,2,0,0,0,0|0,0,0]=2 4129 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,2,0,0,0,0|1,0,1]=4 4130 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,2,0,0,0,0|1,0,1]=4 4131 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,2,0,0,0,0|1,0,1]=4 4132 B8R0.9 COC(=O)CCC(Cl)Cl Amb25295532 [0,2,0,0,0,0|1,0,1]=4 4133 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,2,0,0,0,0|0,0,0]=2 4134 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,2,0,0,0,0|0,1,0]=3 4135 B8R0.9 COC(=O)CCS([O-])=O Amb21520328 [0,2,0,0,0,0|1,0,0]=3 4136 B8R0.9 COC(=O)CC[C@@H](C)Cl Amb24480241 [0,2,0,0,0,0|1,0,1]=4 4137 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,2,0,0,0,0|1,0,1]=4 4138 B8R0.9 COC(=O)CC[C@@H](C)O Amb22388487 [0,2,0,0,0,0|0,0,2]=4 4139 B8R0.9 COC(=O)CC[C@H](C)O Amb24351118 [0,2,0,0,0,0|0,0,2]=4 4140 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [0,2,0,0,0,0|1,0,0]=3 4141 B8R0.9 COC(=O)CNS(C)=O Amb24536728 [0,2,0,0,0,0|2,0,0]=4 4142 B8R0.9 COC(=O)CSC(N)=N Amb20676059 [0,2,0,0,0,0|2,0,0]=4 4143 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [0,2,0,0,0,0|1,0,0]=3 4144 B8R0.9 COC(=O)NCC(N)=N Amb24436947 [0,2,0,0,0,0|2,0,0]=4 4145 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb25060248 [0,2,0,0,0,0|0,0,2]=4 4146 B8R0.9 COC(=O)\C=C\C(=O)O Amb10071357 [0,2,0,0,0,0|0,0,2]=4 4147 B8R0.9 COC(=O)\C=C\C(N)=O Amb24458702 [0,2,0,0,0,0|0,0,2]=4 4148 B8R0.9 COC(=O)\C=C\C([O-])=O Amb24121535 [0,2,0,0,0,0|0,0,2]=4 4149 B8R0.9 COC(=S)NCC(O)=O Amb25146013 [0,2,0,0,0,0|1,0,1]=4 4150 B8R0.9 COC(C)CCC(O)=O Amb24271104 [0,2,0,0,0,0|0,0,2]=4 4151 B8R0.9 COC(C)OCC(O)=O Amb24417299 [0,2,0,0,0,0|2,0,0]=4 4152 B8R0.9 COP(O)CCC(O)=O Amb22734636 [0,2,0,0,0,0|1,0,1]=4 4153 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [0,2,0,0,0,0|0,0,2]=4 4154 B8R0.9 CSC(=S)OCC(O)=O Amb25065342 [0,2,0,0,0,0|1,1,0]=4 4155 B8R0.9 CSC(=S)SCC(O)=O Amb24479938 [0,2,0,0,0,0|1,1,0]=4 4156 B8R0.9 CSC(C)CCC(O)=O Amb22059071 [0,2,0,0,0,0|0,1,1]=4 4157 B8R0.9 C[C@@H](CBr)CCC(O)=O Amb24458738 [0,2,0,0,0,0|1,0,1]=4 4158 B8R0.9 C[C@@H](CC)CCC(=O)O Amb16231507 [0,2,0,0,0,0|1,0,1]=4 4159 B8R0.9 C[C@@H](CC=C(C)C)C=O Amb24741555 [0,2,0,0,0,0|2,0,0]=4 4160 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [0,2,0,0,0,0|1,0,0]=3 4161 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [0,2,0,0,0,0|1,0,0]=3 4162 B8R0.9 C[C@H](CCC(O)=O)C#C Amb25250566 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.9 C[C@H](O)CCC(=O)NN Amb24395110 [0,2,0,0,0,0|1,0,1]=4 4164 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [0,2,0,0,0,0|1,0,1]=4 4165 B8R0.9 C\C(\CC)=C/CC(O)=O Amb22011800 [0,2,0,0,0,0|1,0,1]=4 4166 B8R0.9 C\C(\CCC(C)=O)=C/C Amb25768510 [0,2,0,0,0,0|2,0,0]=4 4167 B8R0.9 C\C(\CCC(C)=O)=C\C Amb24610198 [0,2,0,0,0,0|2,0,0]=4 4168 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [0,2,0,0,0,0|1,0,0]=3 4169 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [0,2,0,0,0,0|1,0,0]=3 4170 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [0,2,0,0,0,0|1,0,0]=3 4171 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [0,2,0,0,0,0|1,0,0]=3 4172 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [0,2,0,0,0,0|1,0,0]=3 4173 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [0,2,0,0,0,0|1,0,0]=3 4174 B8R0.9 NC(=N)SCC(Cl)C=O Amb24550227 [0,2,0,0,0,0|2,0,0]=4 4175 B8R0.9 NC(=O)CCC(=O)N=O Amb24445359 [0,2,0,0,0,0|0,0,1]=3 4176 B8R0.9 NC(=O)CCC(=O)NBr Amb24390936 [0,2,0,0,0,0|1,0,0]=3 4177 B8R0.9 NC(=O)CCC(=O)NCl Amb24425513 [0,2,0,0,0,0|1,0,0]=3 4178 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [0,2,0,0,0,0|0,0,0]=2 4179 B8R0.9 NC(=O)CNC(=O)CBr Amb25201255 [0,2,0,0,0,0|2,0,0]=4 4180 B8R0.9 NC(=O)CNC(=O)CN Amb22730172 [0,2,0,0,0,0|2,0,0]=4 4181 B8R0.9 NC(=O)CNC(=O)CN Amb22734748 [0,2,0,0,0,0|2,0,0]=4 4182 B8R0.9 NC(=O)CNC(=O)CS Amb24405222 [0,2,0,0,0,0|1,1,0]=4 4183 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [0,2,0,0,0,0|1,0,0]=3 4184 B8R0.9 NC(=O)NCC(=O)NN Amb24477825 [0,2,0,0,0,0|2,0,0]=4 4185 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,2,0,0,0,0|2,0,0]=4 4186 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [0,2,0,0,0,0|1,0,0]=3 4187 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [0,2,0,0,0,0|0,0,2]=4 4188 B8R0.9 NC(CF)CCC(O)=O Amb19148378 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.9 NC(NCC(N)=O)=NO Amb25759831 [0,2,0,0,0,0|2,0,0]=4 4190 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [0,2,0,0,0,0|1,0,1]=4 4191 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [0,2,0,0,0,0|0,0,0]=2 4192 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,2,0,0,0,0|1,0,0]=3 4193 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [0,2,0,0,0,0|1,0,0]=3 4194 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [0,2,0,0,0,0|0,0,0]=2 4195 B8R0.9 NCC(=S)NCC(O)=O Amb25077168 [0,2,0,0,0,0|1,1,0]=4 4196 B8R0.9 NCC(N)CCC(O)=O Amb19328773 [0,2,0,0,0,0|1,0,1]=4 4197 B8R0.9 NCC(O)CCC(N)=O Amb24340194 [0,2,0,0,0,0|1,0,1]=4 4198 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [0,2,0,0,0,0|0,0,2]=4 4199 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [0,2,0,0,0,0|0,0,2]=4 4200 B8R0.9 NNC(=N)NCC(O)=O Amb24477722 [0,2,0,0,0,0|2,0,0]=4 4201 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [0,2,0,0,0,0|0,0,0]=2 4202 B8R0.9 NNC(=O)CNC(O)=O Amb25093417 [0,2,0,0,0,0|1,0,0]=3 4203 B8R0.9 NNC(=O)\C=C/C(O)=O Amb25046308 [0,2,0,0,0,0|0,0,2]=4 4204 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [0,2,0,0,0,0|0,0,0]=2 4205 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [0,2,0,0,0,0|1,0,0]=3 4206 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [0,2,0,0,0,0|0,0,0]=2 4207 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [0,2,0,0,0,0|0,0,2]=4 4208 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [0,2,0,0,0,0|1,0,0]=3 4209 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [0,2,0,0,0,0|0,0,2]=4 4210 B8R0.9 N[C@H](CF)CCC(O)=O Amb25339395 [0,2,0,0,0,0|1,0,1]=4 4211 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [0,2,0,0,0,0|1,0,1]=4 4212 B8R0.9 N[C@H](CS)CCC(O)=O Amb25348403 [0,2,0,0,0,0|0,1,1]=4 4213 B8R0.9 O=C(Cl)COC(=O)CCl Amb24339381 [0,2,0,0,0,0|2,0,0]=4 4214 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [0,2,0,0,0,0|1,0,0]=3 4215 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [0,2,0,0,0,0|0,0,0]=2 4216 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [0,2,0,0,0,0|0,0,0]=2 4217 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [0,2,0,0,0,0|0,0,0]=2 4218 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [0,2,0,0,0,0|0,0,0]=2 4219 B8R0.9 OC(=O)CCC(Br)CBr Amb24575822 [0,2,0,0,0,0|1,0,1]=4 4220 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [0,2,0,0,0,0|1,0,0]=3 4221 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [0,2,0,0,0,0|0,0,1]=3 4222 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [0,2,0,0,0,0|1,0,0]=3 4223 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [0,2,0,0,0,0|1,0,0]=3 4224 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [0,2,0,0,0,0|1,0,0]=3 4225 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [0,2,0,0,0,0|1,0,0]=3 4226 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [0,2,0,0,0,0|1,0,0]=3 4227 B8R0.9 OC(=O)\C=C\C(=O)CBr Amb25718709 [0,2,0,0,0,0|0,0,2]=4 4228 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [0,2,0,0,0,0|0,0,2]=4 4229 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22337964 [0,2,0,0,0,0|0,0,2]=4 4230 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22338796 [0,2,0,0,0,0|0,0,2]=4 4231 B8R0.9 OC(=O)\C=C\C(Cl)C=O Amb24382565 [0,2,0,0,0,0|0,0,1]=3 4232 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [0,2,0,0,0,0|0,0,1]=3 4233 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [0,2,0,0,0,0|0,0,2]=4 4234 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [0,2,0,0,0,0|0,0,2]=4 4235 B8R0.9 ONC(=O)/C=C\C(O)=O Amb17673396 [0,2,0,0,0,0|0,0,2]=4 4236 B8R0.9 ONC(=O)CCC(F)F Amb24414532 [0,2,0,0,0,0|1,0,1]=4 4237 B8R0.11 CCC(CCC=O)C=O Amb18642664 [0,2,0,0,0,0|1,0,1]=4 4238 B8R0.11 CCCC\C(=C/O)\C=O Amb25258703 [0,2,0,0,0,0|1,0,1]=4 4239 B8R0.11 CCCC\C(\C=O)=N/O Amb24706996 [0,2,0,0,0,0|1,0,1]=4 4240 B8R0.11 COC(CCC=O)C=C Amb25851488 [0,2,0,0,0,0|1,0,1]=4 4241 B8R0.11 COC(CCC=O)OC Amb22235540 [0,2,0,0,0,0|0,0,2]=4 4242 B8R0.11 CO[C@@H](C=O)OCC=O Amb25227880 [0,2,0,0,0,0|1,0,1]=4 4243 B8R0.11 C\C=C(/CCC=O)\CC Amb25729743 [0,2,0,0,0,0|2,0,0]=4 4244 B8R0.11 C\C=C(\CCC=O)/C=O Amb18642426 [0,2,0,0,0,0|1,0,0]=3 4245 B8R0.11 N#C\C(=C/CC=O)\C=O Amb24444470 [0,2,0,0,0,0|1,0,1]=4 4246 B8R0.11 OCC(C=O)OCC=O Amb25097249 [0,2,0,0,0,0|1,0,1]=4 4247 B8R0.11 OCC(CNC=O)C=O Amb25706785 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.11 OC[C@H](C=O)OCC=O Amb25277273 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.25 CC(C)(CCC=O)C=O Amb25147223 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.25 CCS(=O)(=O)CCC=O Amb25280466 [0,2,0,0,0,0|1,0,1]=4 4251 B8R0.25 COP(C)(=O)CCC=O Amb25087160 [0,2,0,0,0,0|1,0,0]=3 4252 B8R0.25 C[C@@](O)(CCC=O)C=C Amb24691765 [0,2,0,0,0,0|1,0,1]=4 4253 B8R0.7 BrCCCCCC(=O)O Amb2081955 [0,2,0,0,0,0|1,0,1]=4 4254 B8R0.7 C#CCCC#CC(O)=O Amb24424350 [0,2,0,0,0,0|1,0,1]=4 4255 B8R0.7 C#CCC\C=C\C(O)=O Amb24622206 [0,2,0,0,0,0|1,0,1]=4 4256 B8R0.7 C#CCONCC(O)=O Amb25084161 [0,2,0,0,0,0|1,0,1]=4 4257 B8R0.7 C=C=CCCOC(N)=O Amb25378421 [0,2,0,0,0,0|2,0,0]=4 4258 B8R0.7 C=CCCCCC(=O)Cl Amb24528269 [0,2,0,0,0,0|2,0,0]=4 4259 B8R0.7 C=CCCCNC(N)=O Amb25834820 [0,2,0,0,0,0|2,0,0]=4 4260 B8R0.7 C=CCCNCC(N)=O Amb25746697 [0,2,0,0,0,0|2,0,0]=4 4261 B8R0.7 C=CCCNCC(O)=O Amb25308652 [0,2,0,0,0,0|1,0,0]=3 4262 B8R0.7 C=CCCOCC(N)=O Amb24502598 [0,2,0,0,0,0|2,0,0]=4 4263 B8R0.7 C=CCC\C=C\C(O)=O Amb25756053 [0,2,0,0,0,0|1,0,0]=3 4264 B8R0.7 C=CCNCCC(N)=O Amb19960043 [0,2,0,0,0,0|2,0,0]=4 4265 B8R0.7 C=CCNOCC(N)=O Amb25198787 [0,2,0,0,0,0|2,0,0]=4 4266 B8R0.7 C=CCO\C=C\C(O)=O Amb24471908 [0,2,0,0,0,0|1,0,1]=4 4267 B8R0.7 C=CCSCCC(N)=O Amb25828040 [0,2,0,0,0,0|2,0,0]=4 4268 B8R0.7 C=CC\C=C\CC(O)=O Amb18642408 [0,2,0,0,0,0|1,0,0]=3 4269 B8R0.7 C=CNCCCC(O)=O Amb25146209 [0,2,0,0,0,0|1,0,0]=3 4270 B8R0.7 C=COCC#CC(O)=O Amb24340130 [0,2,0,0,0,0|1,0,1]=4 4271 B8R0.7 C=COCCNC(N)=O Amb24383540 [0,2,0,0,0,0|2,0,0]=4 4272 B8R0.7 C=COCCOC(N)=O Amb24618036 [0,2,0,0,0,0|2,0,0]=4 4273 B8R0.7 C=C\C=C\CCC(N)=O Amb24531499 [0,2,0,0,0,0|2,0,0]=4 4274 B8R0.7 CC#CCSCC(O)=O Amb19021078 [0,2,0,0,0,0|1,0,1]=4 4275 B8R0.7 CC(=C)C#CCCC=O Amb24434594 [0,2,0,0,0,0|2,0,0]=4 4276 B8R0.7 CC(=C)CCOCC=O Amb25275299 [0,2,0,0,0,0|2,0,0]=4 4277 B8R0.7 CC(=C)CC\C=C\C=O Amb18642228 [0,2,0,0,0,0|2,0,0]=4 4278 B8R0.7 CC(=C)COCCC=O Amb18642652 [0,2,0,0,0,0|2,0,0]=4 4279 B8R0.7 CC(=O)CCCC=C=C Amb24620056 [0,2,0,0,0,0|2,0,0]=4 4280 B8R0.7 CC(=O)CCCCC=C Amb24546961 [0,2,0,0,0,0|2,0,0]=4 4281 B8R0.7 CC(=O)CCCCC=O Amb18642609 [0,2,0,0,0,0|1,0,0]=3 4282 B8R0.7 CC(=O)CCNCC=C Amb18642536 [0,2,0,0,0,0|2,0,0]=4 4283 B8R0.7 CC(=O)CC\C=C/C=C Amb24736163 [0,2,0,0,0,0|2,0,0]=4 4284 B8R0.7 CC(=O)CC\C=C/CBr Amb24480047 [0,2,0,0,0,0|2,0,0]=4 4285 B8R0.7 CC(=O)CC\C=C\C#C Amb24633380 [0,2,0,0,0,0|2,0,0]=4 4286 B8R0.7 CC(=O)CC\C=C\C#N Amb18642112 [0,2,0,0,0,0|2,0,0]=4 4287 B8R0.7 CC(=O)CC\C=C\C=C Amb24686743 [0,2,0,0,0,0|2,0,0]=4 4288 B8R0.7 CC(=O)CC\C=C\CBr Amb24650377 [0,2,0,0,0,0|2,0,0]=4 4289 B8R0.7 CC(=O)CC\C=C\CO Amb24614693 [0,2,0,0,0,0|1,0,1]=4 4290 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [0,2,0,0,0,0|1,0,1]=4 4291 B8R0.7 CC(=O)CSCCC=C Amb24481903 [0,2,0,0,0,0|2,0,0]=4 4292 B8R0.7 CC(=O)CSC\C=C\Cl Amb24748154 [0,2,0,0,0,0|2,0,0]=4 4293 B8R0.7 CC(=O)C\C=C/CC=C Amb24584479 [0,2,0,0,0,0|2,0,0]=4 4294 B8R0.7 CC(=O)NCCC=C=C Amb24744549 [0,2,0,0,0,0|2,0,0]=4 4295 B8R0.7 CC(=O)NCCCC=O Amb22896811 [0,2,0,0,0,0|1,0,0]=3 4296 B8R0.7 CC(=O)NCCNC=O Amb25707099 [0,2,0,0,0,0|1,0,0]=3 4297 B8R0.7 CC(=O)NCCSC=C Amb25111499 [0,2,0,0,0,0|2,0,0]=4 4298 B8R0.7 CC(=O)NCCSC=O Amb24670235 [0,2,0,0,0,0|1,0,0]=3 4299 B8R0.7 CC(=O)NCOCC=C Amb25184395 [0,2,0,0,0,0|2,0,0]=4 4300 B8R0.7 CC(=O)NOCCC=C Amb25130346 [0,2,0,0,0,0|2,0,0]=4 4301 B8R0.7 CC(=O)OCCN=C=O Amb25779227 [0,2,0,0,0,0|1,0,1]=4 4302 B8R0.7 CC(=O)OCCOC=C Amb24393798 [0,2,0,0,0,0|2,0,0]=4 4303 B8R0.7 CC(=O)OC\C=C/C=O Amb25119256 [0,2,0,0,0,0|1,0,1]=4 4304 B8R0.7 CC(=O)OC\C=C\C=O Amb18642582 [0,2,0,0,0,0|1,0,1]=4 4305 B8R0.7 CC(=O)SCCCC=O Amb22524698 [0,2,0,0,0,0|1,0,0]=3 4306 B8R0.7 CC(=O)\C=C/CCC=C Amb25267525 [0,2,0,0,0,0|2,0,0]=4 4307 B8R0.7 CC(=O)\C=C/CCC=O Amb24557160 [0,2,0,0,0,0|1,0,0]=3 4308 B8R0.7 CC(=O)\C=C\CCC=O Amb18642401 [0,2,0,0,0,0|1,0,0]=3 4309 B8R0.7 CC(Br)=CCCCC=O Amb24541185 [0,2,0,0,0,0|2,0,0]=4 4310 B8R0.7 CC(C)=C=CCCC=O Amb25116716 [0,2,0,0,0,0|2,0,0]=4 4311 B8R0.7 CC(C)=CCCCC=O Amb18642458 [0,2,0,0,0,0|2,0,0]=4 4312 B8R0.7 CC(C)=COCCC=O Amb18642665 [0,2,0,0,0,0|2,0,0]=4 4313 B8R0.7 CC(O)CCCCC=O Amb25366189 [0,2,0,0,0,0|1,0,1]=4 4314 B8R0.7 CC(O)COCCC=O Amb18642881 [0,2,0,0,0,0|1,0,1]=4 4315 B8R0.7 CCCC#CCC(=O)O Amb17593307 [0,2,0,0,0,0|1,0,1]=4 4316 B8R0.7 CCCC/C=C/C(O)=O Amb17778752 [0,2,0,0,0,0|1,0,1]=4 4317 B8R0.7 CCCCSCC(=O)O Amb1138789 [0,2,0,0,0,0|1,0,1]=4 4318 B8R0.7 CCCNCCC(=O)O Amb2372065 [0,2,0,0,0,0|1,0,1]=4 4319 B8R0.7 CCCNCCC(O)=O Amb18633174 [0,2,0,0,0,0|1,0,1]=4 4320 B8R0.7 CCCSSCC(O)=O Amb25209982 [0,2,0,0,0,0|1,0,1]=4 4321 B8R0.7 CCC\C=C\CC(O)=O Amb18642602 [0,2,0,0,0,0|1,0,1]=4 4322 B8R0.7 CCOCOCC(O)=O Amb25682215 [0,2,0,0,0,0|1,0,1]=4 4323 B8R0.7 CCOCSCC(O)=O Amb25147004 [0,2,0,0,0,0|1,0,1]=4 4324 B8R0.7 CC\C=C/CCC(C)=O Amb25691996 [0,2,0,0,0,0|2,0,0]=4 4325 B8R0.7 CC\C=C/CCC(N)=O Amb24658221 [0,2,0,0,0,0|2,0,0]=4 4326 B8R0.7 CC\C=C/CCC(O)=O Amb25831265 [0,2,0,0,0,0|1,0,0]=3 4327 B8R0.7 CC\C=C\CCC(C)=O Amb24523649 [0,2,0,0,0,0|2,0,0]=4 4328 B8R0.7 CC\C=C\CCC(O)=O Amb18642608 [0,2,0,0,0,0|1,0,0]=3 4329 B8R0.7 CC\C=C\SCC(O)=O Amb25188909 [0,2,0,0,0,0|1,0,1]=4 4330 B8R0.7 CNCCCCC(=O)O Amb10605773 [0,2,0,0,0,0|1,0,1]=4 4331 B8R0.7 CNCCCCC(O)=O Amb24340485 [0,2,0,0,0,0|1,0,1]=4 4332 B8R0.7 CNCCNCC(O)=O Amb25211792 [0,2,0,0,0,0|1,0,1]=4 4333 B8R0.7 CNCCOCC(O)=O Amb18630741 [0,2,0,0,0,0|1,0,1]=4 4334 B8R0.7 COCCNCC(O)=O Amb19514667 [0,2,0,0,0,0|0,0,2]=4 4335 B8R0.7 COCC\C=C\C(O)=O Amb24532833 [0,2,0,0,0,0|2,0,0]=4 4336 B8R0.7 CONCCCC(O)=O Amb24647348 [0,2,0,0,0,0|0,0,2]=4 4337 B8R0.7 CS(=O)CCCNC=O Amb24481711 [0,2,0,0,0,0|2,0,0]=4 4338 B8R0.7 CSCCCCC(=O)O Amb17503764 [0,2,0,0,0,0|0,1,1]=4 4339 B8R0.7 CSCCNCC(O)=O Amb24401934 [0,2,0,0,0,0|0,1,1]=4 4340 B8R0.7 CSC\C=C/CC(O)=O Amb18644292 [0,2,0,0,0,0|0,1,1]=4 4341 B8R0.7 CSSCCCC(O)=O Amb25269470 [0,2,0,0,0,0|0,1,1]=4 4342 B8R0.7 C[C@@H](O)CCCCC=O Amb22896766 [0,2,0,0,0,0|1,0,1]=4 4343 B8R0.7 C[C@@H](O)CC\C=C\C=O Amb25687332 [0,2,0,0,0,0|1,0,1]=4 4344 B8R0.7 C[C@H](O)CC\C=C\C=O Amb24642636 [0,2,0,0,0,0|1,0,1]=4 4345 B8R0.7 C\C(\Br)=C/CCCC=O Amb25282714 [0,2,0,0,0,0|2,0,0]=4 4346 B8R0.7 C\C(\Cl)=C\CCCC=O Amb24383194 [0,2,0,0,0,0|2,0,0]=4 4347 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.7 C\C=C/OCCC(C)=O Amb25188590 [0,2,0,0,0,0|2,0,0]=4 4349 B8R0.7 C\C=C\CC#CC(O)=O Amb24599409 [0,2,0,0,0,0|1,0,1]=4 4350 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [0,2,0,0,0,0|2,0,0]=4 4351 B8R0.7 C\C=C\CCCC(N)=O Amb24358851 [0,2,0,0,0,0|2,0,0]=4 4352 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [0,2,0,0,0,0|1,0,0]=3 4353 B8R0.7 C\C=C\COCC(C)=O Amb25771575 [0,2,0,0,0,0|2,0,0]=4 4354 B8R0.7 C\C=C\COCC(N)=O Amb24573219 [0,2,0,0,0,0|2,0,0]=4 4355 B8R0.7 C\C=C\C\C=C\C(O)=O Amb24688696 [0,2,0,0,0,0|1,0,1]=4 4356 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [0,2,0,0,0,0|2,0,0]=4 4357 B8R0.7 N#CCCCCC(=O)O Amb17593332 [0,2,0,0,0,0|1,0,1]=4 4358 B8R0.7 N#CCCSCC(=O)O Amb17502363 [0,2,0,0,0,0|1,0,1]=4 4359 B8R0.7 N#CCC\C=C\C(O)=O Amb24425060 [0,2,0,0,0,0|1,0,1]=4 4360 B8R0.7 N#C\C=C/SCC(O)=O Amb18124628 [0,2,0,0,0,0|1,0,1]=4 4361 B8R0.7 NC(=N)NCCCC=O Amb25367020 [0,2,0,0,0,0|2,0,0]=4 4362 B8R0.7 NC(=O)CCCNC=O Amb24725181 [0,2,0,0,0,0|1,0,0]=3 4363 B8R0.7 NC(=O)CCC\C=C\Br Amb24480015 [0,2,0,0,0,0|2,0,0]=4 4364 B8R0.7 NC(=O)CCC\C=C\Cl Amb24409832 [0,2,0,0,0,0|2,0,0]=4 4365 B8R0.7 NC(=O)CNC\C=C\Cl Amb24532837 [0,2,0,0,0,0|2,0,0]=4 4366 B8R0.7 NC(=O)COC\C=C\Cl Amb25146095 [0,2,0,0,0,0|2,0,0]=4 4367 B8R0.7 NC(=O)CSCCC=O Amb25784424 [0,2,0,0,0,0|1,0,0]=3 4368 B8R0.7 NC(=O)OCCNC=O Amb25219631 [0,2,0,0,0,0|1,0,0]=3 4369 B8R0.7 NC(=S)CCCNC=O Amb25256382 [0,2,0,0,0,0|1,1,0]=4 4370 B8R0.7 NCCCCCC(=O)O Amb17607928 [0,2,0,0,0,0|1,0,1]=4 4371 B8R0.7 NCCCCCC(=O)O Amb1905625 [0,2,0,0,0,0|1,0,1]=4 4372 B8R0.7 NCCCNCC(O)=O Amb22733138 [0,2,0,0,0,0|1,0,1]=4 4373 B8R0.7 NCCCNCC(O)=O Amb25848815 [0,2,0,0,0,0|1,0,1]=4 4374 B8R0.7 NCCCOCC(O)=O Amb18111435 [0,2,0,0,0,0|1,0,1]=4 4375 B8R0.7 NCCCSCC(=O)O Amb17500676 [0,2,0,0,0,0|1,0,1]=4 4376 B8R0.7 NCCC\C=C\C(O)=O Amb22054306 [0,2,0,0,0,0|1,0,1]=4 4377 B8R0.7 NCCC\C=C\C(O)=O Amb25221789 [0,2,0,0,0,0|1,0,1]=4 4378 B8R0.7 NCCNCCC(O)=O Amb20668304 [0,2,0,0,0,0|1,0,1]=4 4379 B8R0.7 NCCNCCC(O)=O Amb22058790 [0,2,0,0,0,0|1,0,1]=4 4380 B8R0.7 NCCOCCC(O)=O Amb18630461 [0,2,0,0,0,0|1,0,1]=4 4381 B8R0.7 NCCSCCC(O)=O Amb21988844 [0,2,0,0,0,0|1,0,1]=4 4382 B8R0.7 NC\C=C\CCC(O)=O Amb24411351 [0,2,0,0,0,0|1,0,0]=3 4383 B8R0.7 NOCCCCC(=O)O Amb10975955 [0,2,0,0,0,0|0,0,2]=4 4384 B8R0.7 O=CCCCC=C(F)F Amb25827646 [0,2,0,0,0,0|2,0,0]=4 4385 B8R0.7 O=CCCCOC(=O)C Amb17593367 [0,2,0,0,0,0|1,0,0]=3 4386 B8R0.7 O=COCCCC(=O)C Amb1033032 [0,2,0,0,0,0|1,0,0]=3 4387 B8R0.7 OB(O)\C=C\CCC=O Amb24378985 [0,2,0,0,0,0|1,0,1]=4 4388 B8R0.7 OC(=O)C#CCCC=O Amb24549556 [0,2,0,0,0,0|0,0,0]=2 4389 B8R0.7 OC(=O)C#CCCCCl Amb24347497 [0,2,0,0,0,0|1,0,1]=4 4390 B8R0.7 OC(=O)CCCCC=O Amb18642763 [0,2,0,0,0,0|0,0,0]=2 4391 B8R0.7 OC(=O)CCCCCCl Amb18796646 [0,2,0,0,0,0|1,0,1]=4 4392 B8R0.7 OC(=O)CCCCCI Amb22736492 [0,2,0,0,0,0|1,0,1]=4 4393 B8R0.7 OC(=O)CCCCCS Amb18644374 [0,2,0,0,0,0|0,1,1]=4 4394 B8R0.7 OC(=O)CCCNC=O Amb18305404 [0,2,0,0,0,0|0,0,0]=2 4395 B8R0.7 OC(=O)CCC\C=C\Br Amb24518554 [0,2,0,0,0,0|1,0,0]=3 4396 B8R0.7 OC(=O)CCC\C=C\Cl Amb18644381 [0,2,0,0,0,0|1,0,0]=3 4397 B8R0.7 OC(=O)CCNCN=O Amb25311838 [0,2,0,0,0,0|0,0,1]=3 4398 B8R0.7 OC(=O)CCOCCBr Amb24057757 [0,2,0,0,0,0|1,0,1]=4 4399 B8R0.7 OC(=O)CCSCCCl Amb24097450 [0,2,0,0,0,0|1,0,1]=4 4400 B8R0.7 OC(=O)CCSCCS Amb18126456 [0,2,0,0,0,0|0,1,1]=4 4401 B8R0.7 OC(=O)CC\C=C\C#C Amb10605297 [0,2,0,0,0,0|1,0,0]=3 4402 B8R0.7 OC(=O)CC\C=C\C=C Amb10605294 [0,2,0,0,0,0|1,0,0]=3 4403 B8R0.7 OC(=O)CC\C=C\CBr Amb24635578 [0,2,0,0,0,0|1,0,0]=3 4404 B8R0.7 OC(=O)CNCCCBr Amb25765814 [0,2,0,0,0,0|1,0,1]=4 4405 B8R0.7 OC(=O)CNCCCS Amb25268354 [0,2,0,0,0,0|0,1,1]=4 4406 B8R0.7 OC(=O)CN\C=C\C=O Amb25223016 [0,2,0,0,0,0|0,0,1]=3 4407 B8R0.7 OC(=O)COCCCBr Amb24594816 [0,2,0,0,0,0|1,0,1]=4 4408 B8R0.7 OC(=O)COCCCF Amb24481828 [0,2,0,0,0,0|1,0,1]=4 4409 B8R0.7 OC(=O)CON=CCCl Amb24674209 [0,2,0,0,0,0|2,0,0]=4 4410 B8R0.7 OC(=O)CO\N=C\CBr Amb25146992 [0,2,0,0,0,0|2,0,0]=4 4411 B8R0.7 OC(=O)CO\N=C\CCl Amb24376147 [0,2,0,0,0,0|2,0,0]=4 4412 B8R0.7 OC(=O)CSCCCBr Amb25771711 [0,2,0,0,0,0|1,0,1]=4 4413 B8R0.7 OC(=O)CSCCCCl Amb18126548 [0,2,0,0,0,0|1,0,1]=4 4414 B8R0.7 OC(=O)CSCCCF Amb25676986 [0,2,0,0,0,0|1,0,1]=4 4415 B8R0.7 OC(=O)CS\C=C\C=O Amb25230965 [0,2,0,0,0,0|0,0,1]=3 4416 B8R0.7 OC(=O)C\C=C/CC=O Amb25050861 [0,2,0,0,0,0|0,0,0]=2 4417 B8R0.7 OC(=O)\C=C\C=C\C=O Amb18642364 [0,2,0,0,0,0|0,0,2]=4 4418 B8R0.7 OC(=O)\C=C\CCCBr Amb24446659 [0,2,0,0,0,0|1,0,1]=4 4419 B8R0.7 OC(=O)\C=C\CCCCl Amb18644386 [0,2,0,0,0,0|1,0,1]=4 4420 B8R0.7 OCCC\C=C\C(O)=O Amb18642790 [0,2,0,0,0,0|0,0,2]=4 4421 B8R0.7 OCCNCCC(=O)O Amb1110010 [0,2,0,0,0,0|0,0,2]=4 4422 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [0,2,0,0,0,0|0,0,1]=3 4423 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [0,2,0,0,0,0|1,0,1]=4 4424 B8R0.7 [N-]=[N+]=NCSCC(O)=O Amb25253142 [0,2,0,0,0,0|2,0,0]=4 4425 B8R0.21 CS(=O)(=O)CCCC=O Amb18181110 [0,2,0,0,0,0|1,0,1]=4 4426 B8R0.21 CS(=O)(=O)CCNC=O Amb25143965 [0,2,0,0,0,0|1,0,1]=4 4427 B8R0.21 NS(=O)(=O)CCNC=O Amb24524173 [0,2,0,0,0,0|1,0,1]=4 4428 B8R0.21 O=CCCNS(=O)(=O)C Amb17102226 [0,2,0,0,0,0|1,0,1]=4 4429 B8R0.21 OP(O)(=O)C\C=C\C=O Amb24511800 [0,2,0,0,0,0|1,0,1]=4 4430 B8R0.28 C=C(Br)CNCC(N)=O Amb18303969 [0,2,0,0,0,0|2,0,0]=4 4431 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [0,2,0,0,0,0|1,0,0]=3 4432 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [0,2,0,0,0,0|1,0,0]=3 4433 B8R0.28 C=C(Cl)CNCC(N)=O Amb18303604 [0,2,0,0,0,0|2,0,0]=4 4434 B8R0.28 C=C(Cl)COCC(N)=O Amb24744113 [0,2,0,0,0,0|2,0,0]=4 4435 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [0,2,0,0,0,0|1,0,0]=3 4436 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [0,2,0,0,0,0|2,0,0]=4 4437 B8R0.28 CC(=C)CCOC(N)=O Amb24760559 [0,2,0,0,0,0|2,0,0]=4 4438 B8R0.28 CC(=C)\C=C\CC(O)=O Amb18642409 [0,2,0,0,0,0|1,0,1]=4 4439 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [0,2,0,0,0,0|1,0,0]=3 4440 B8R0.28 CC(=O)CCC=C(F)F Amb24478042 [0,2,0,0,0,0|2,0,0]=4 4441 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [0,2,0,0,0,0|1,0,1]=4 4442 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [0,2,0,0,0,0|1,0,0]=3 4443 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [0,2,0,0,0,0|1,0,0]=3 4444 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,2,0,0,0,0|0,0,0]=2 4445 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,2,0,0,0,0|1,0,0]=3 4446 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,2,0,0,0,0|1,0,0]=3 4447 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [0,2,0,0,0,0|1,0,1]=4 4448 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [0,2,0,0,0,0|1,0,0]=3 4449 B8R0.28 CC(=O)CC\C=C(/Cl)\C Amb17593664 [0,2,0,0,0,0|2,0,0]=4 4450 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [0,2,0,0,0,0|1,0,0]=3 4451 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,2,0,0,0,0|0,0,0]=2 4452 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [0,2,0,0,0,0|1,0,0]=3 4453 B8R0.28 CC(=O)CSCC(=C)Br Amb24421359 [0,2,0,0,0,0|2,0,0]=4 4454 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [0,2,0,0,0,0|1,0,0]=3 4455 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [0,2,0,0,0,0|0,0,1]=3 4456 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,2,0,0,0,0|0,0,1]=3 4457 B8R0.28 CC(=O)NCCC(=S)N Amb17232012 [0,2,0,0,0,0|1,1,0]=4 4458 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,2,0,0,0,0|0,0,0]=2 4459 B8R0.28 CC(=O)OCCS(C)=O Amb24481662 [0,2,0,0,0,0|2,0,0]=4 4460 B8R0.28 CC(=O)SCCB(O)O Amb25854421 [0,2,0,0,0,0|1,0,1]=4 4461 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [0,2,0,0,0,0|1,0,0]=3 4462 B8R0.28 CC(=O)SCNC(C)=O Amb24662115 [0,2,0,0,0,0|2,0,0]=4 4463 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [0,2,0,0,0,0|1,0,1]=4 4464 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [0,2,0,0,0,0|1,0,1]=4 4465 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,2,0,0,0,0|0,0,1]=3 4466 B8R0.28 CC(=S)NCCC(C)=O Amb24682550 [0,2,0,0,0,0|1,1,0]=4 4467 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [0,2,0,0,0,0|0,1,0]=3 4468 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [0,2,0,0,0,0|1,0,0]=3 4469 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [0,2,0,0,0,0|1,0,1]=4 4470 B8R0.28 CC(C)/C=C/CC(O)=O Amb17844074 [0,2,0,0,0,0|1,0,1]=4 4471 B8R0.28 CC(C)=CCCC(N)=O Amb24655596 [0,2,0,0,0,0|2,0,0]=4 4472 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [0,2,0,0,0,0|1,0,1]=4 4473 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [0,2,0,0,0,0|0,0,2]=4 4474 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [0,2,0,0,0,0|1,0,1]=4 4475 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [0,2,0,0,0,0|1,0,1]=4 4476 B8R0.28 CC(Cl)=CCCC(C)=O Amb25274421 [0,2,0,0,0,0|2,0,0]=4 4477 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [0,2,0,0,0,0|1,0,1]=4 4478 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [0,2,0,0,0,0|1,0,1]=4 4479 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [0,2,0,0,0,0|1,0,1]=4 4480 B8R0.28 CC(N)COCC(O)=O Amb25368702 [0,2,0,0,0,0|1,0,1]=4 4481 B8R0.28 CC(NCCC(=O)O)C Amb1106349 [0,2,0,0,0,0|1,0,1]=4 4482 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [0,2,0,0,0,0|1,0,1]=4 4483 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [0,2,0,0,0,0|1,0,1]=4 4484 B8R0.28 CC(O)CCOC(N)=O Amb25293990 [0,2,0,0,0,0|1,0,1]=4 4485 B8R0.28 CC(O)CCSC(C)=O Amb25846896 [0,2,0,0,0,0|1,0,1]=4 4486 B8R0.28 CC(O)CNCC(C)=O Amb24589662 [0,2,0,0,0,0|1,0,1]=4 4487 B8R0.28 CC(O)CSCC(N)=O Amb25690591 [0,2,0,0,0,0|1,0,1]=4 4488 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [0,2,0,0,0,0|0,0,2]=4 4489 B8R0.28 CC(O)NCCC(N)=O Amb24446895 [0,2,0,0,0,0|1,0,1]=4 4490 B8R0.28 CC(S)\C=C/CC(O)=O Amb18644289 [0,2,0,0,0,0|0,1,1]=4 4491 B8R0.28 CC(S)\C=C\CC(O)=O Amb24514919 [0,2,0,0,0,0|0,1,1]=4 4492 B8R0.28 CN(C)C=NCC(O)=O Amb24740176 [0,2,0,0,0,0|2,0,0]=4 4493 B8R0.28 CN(C)NCCC(O)=O Amb24113891 [0,2,0,0,0,0|2,0,0]=4 4494 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [0,2,0,0,0,0|0,0,1]=3 4495 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [0,2,0,0,0,0|1,0,1]=4 4496 B8R0.28 CS(=O)NOCC(O)=O Amb24588744 [0,2,0,0,0,0|2,0,0]=4 4497 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [0,2,0,0,0,0|1,0,1]=4 4498 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [0,2,0,0,0,0|1,0,1]=4 4499 B8R0.28 C[C@@H](O)CCOC(C)=O Amb25357488 [0,2,0,0,0,0|1,0,1]=4 4500 B8R0.28 C[C@@H](O)CNCC(N)=O Amb25260382 [0,2,0,0,0,0|1,0,1]=4 4501 B8R0.28 C[C@@H](O)CSCC(N)=O Amb25799456 [0,2,0,0,0,0|1,0,1]=4 4502 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [0,2,0,0,0,0|1,0,1]=4 4503 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [0,2,0,0,0,0|0,0,2]=4 4504 B8R0.28 C[C@H](O)CCNC(N)=O Amb25272281 [0,2,0,0,0,0|1,0,1]=4 4505 B8R0.28 C[C@H](O)CSCC(N)=O Amb25202527 [0,2,0,0,0,0|1,0,1]=4 4506 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [0,2,0,0,0,0|1,0,0]=3 4507 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [0,2,0,0,0,0|1,0,0]=3 4508 B8R0.28 NC(=N)NCCS(O)=O Amb25103204 [0,2,0,0,0,0|2,0,0]=4 4509 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [0,2,0,0,0,0|2,0,0]=4 4510 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [0,2,0,0,0,0|1,0,0]=3 4511 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [0,2,0,0,0,0|1,0,1]=4 4512 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [0,2,0,0,0,0|1,0,0]=3 4514 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,2,0,0,0,0|0,0,0]=2 4515 B8R0.28 NC(=O)CSCC(N)=N Amb23313355 [0,2,0,0,0,0|2,0,0]=4 4516 B8R0.28 NC(=O)NCCB(O)O Amb25246659 [0,2,0,0,0,0|1,0,1]=4 4517 B8R0.28 NC(=O)NCCC(N)=N Amb25102435 [0,2,0,0,0,0|2,0,0]=4 4518 B8R0.28 NC(=O)NCNC(N)=O Amb24105508 [0,2,0,0,0,0|2,0,0]=4 4519 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [0,2,0,0,0,0|1,0,1]=4 4520 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,2,0,0,0,0|1,0,1]=4 4521 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [0,2,0,0,0,0|1,0,1]=4 4522 B8R0.28 NC(=S)CCOC(N)=O Amb25104739 [0,2,0,0,0,0|1,1,0]=4 4523 B8R0.28 NC(=S)SCCC(N)=O Amb24691673 [0,2,0,0,0,0|1,1,0]=4 4524 B8R0.28 NC(N)=NCCC(=O)Cl Amb24524091 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [0,2,0,0,0,0|1,0,0]=3 4526 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,2,0,0,0,0|1,0,0]=3 4527 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,2,0,0,0,0|0,0,1]=3 4528 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,2,0,0,0,0|0,0,2]=4 4529 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [0,2,0,0,0,0|1,0,0]=3 4530 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [0,2,0,0,0,0|1,0,0]=3 4531 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,2,0,0,0,0|0,0,0]=2 4532 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [0,2,0,0,0,0|1,0,1]=4 4533 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [0,2,0,0,0,0|1,0,1]=4 4534 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,2,0,0,0,0|0,0,0]=2 4535 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,2,0,0,0,0|0,0,0]=2 4536 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,2,0,0,0,0|0,0,1]=3 4537 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,2,0,0,0,0|0,0,0]=2 4538 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [0,2,0,0,0,0|0,1,0]=3 4539 B8R0.28 OC(=O)CCOC(F)F Amb25342869 [0,2,0,0,0,0|1,0,1]=4 4540 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [0,2,0,0,0,0|1,0,0]=3 4541 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,2,0,0,0,0|0,0,0]=2 4542 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,2,0,0,0,0|1,0,0]=3 4543 B8R0.28 OC(=O)CNCC(F)F Amb24433048 [0,2,0,0,0,0|1,0,1]=4 4544 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,2,0,0,0,0|1,0,0]=3 4545 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,2,0,0,0,0|0,0,0]=2 4546 B8R0.28 OC(=O)CSC=C(Cl)Cl Amb24479937 [0,2,0,0,0,0|1,0,1]=4 4547 B8R0.28 OC(=O)CSCC(F)F Amb18791606 [0,2,0,0,0,0|1,0,1]=4 4548 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,2,0,0,0,0|0,0,1]=3 4549 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,2,0,0,0,0|2,0,0]=4 4550 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,2,0,0,0,0|0,0,1]=3 4551 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [0,2,0,0,0,0|0,0,2]=4 4552 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,2,0,0,0,0|0,0,0]=2 4553 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [0,2,0,0,0,0|0,0,1]=3 4554 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [0,2,0,0,0,0|0,0,1]=3 4555 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [0,2,0,0,0,0|0,0,1]=3 4556 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [0,2,0,0,0,0|0,0,1]=3 4557 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [0,2,0,0,0,0|1,0,0]=3 4558 B8R0.12 C=CCC(C(=O)O)(C)C Amb10603495 [0,2,0,0,0,0|1,0,0]=3 4559 B8R0.12 C=CCC(C(=O)O)(F)F Amb10982503 [0,2,0,0,0,0|1,0,0]=3 4560 B8R0.12 C=CCC(Cl)(Cl)C(O)=O Amb24479939 [0,2,0,0,0,0|1,0,0]=3 4561 B8R0.12 C=CCC(F)(Cl)C(O)=O Amb24373901 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.12 C=CCC(F)(F)C(N)=O Amb25062701 [0,2,0,0,0,0|2,0,0]=4 4563 B8R0.12 CC(=C)C(C)(C)CC=O Amb25081452 [0,2,0,0,0,0|2,0,0]=4 4564 B8R0.12 CC(=O)C(C)(C)CC=C Amb25762422 [0,2,0,0,0,0|2,0,0]=4 4565 B8R0.12 CC(=O)C(C)(C)CC=O Amb24532867 [0,2,0,0,0,0|1,0,0]=3 4566 B8R0.12 CC(=O)C(C)(C)OC=O Amb24633872 [0,2,0,0,0,0|2,0,0]=4 4567 B8R0.12 CC(=O)C(C)(O)CC=C Amb24648764 [0,2,0,0,0,0|2,0,0]=4 4568 B8R0.12 CC(C(=O)O)(CCC)Cl Amb17593751 [0,2,0,0,0,0|1,0,1]=4 4569 B8R0.12 CC(C)(CC#C)C(O)=O Amb18636154 [0,2,0,0,0,0|1,0,1]=4 4570 B8R0.12 CC(C)(CC=C)C(=O)Cl Amb24554572 [0,2,0,0,0,0|2,0,0]=4 4571 B8R0.12 CC(C)(CC=O)C(O)=O Amb24340256 [0,2,0,0,0,0|0,0,0]=2 4572 B8R0.12 CC(C)(CCBr)C(O)=O Amb24739595 [0,2,0,0,0,0|1,0,1]=4 4573 B8R0.12 CC(C)(CCO)C(O)=O Amb24763728 [0,2,0,0,0,0|0,0,2]=4 4574 B8R0.12 CC(C)(CNO)C(O)=O Amb25204097 [0,2,0,0,0,0|1,0,1]=4 4575 B8R0.12 CC(C)(CON)C(O)=O Amb25188999 [0,2,0,0,0,0|2,0,0]=4 4576 B8R0.12 CC(C)(N=C=O)C(O)=O Amb24481889 [0,2,0,0,0,0|1,0,1]=4 4577 B8R0.12 CC(C)(NC=O)C(N)=O Amb24403400 [0,2,0,0,0,0|2,0,0]=4 4578 B8R0.12 CC(C)(NC=O)C(O)=O Amb18281022 [0,2,0,0,0,0|1,0,0]=3 4579 B8R0.12 CC(C)(\C=C\Br)C(O)=O Amb24420866 [0,2,0,0,0,0|1,0,1]=4 4580 B8R0.12 CC(C)(\C=C\Cl)C(O)=O Amb25229330 [0,2,0,0,0,0|1,0,1]=4 4581 B8R0.12 CC(N)(C=C=O)C(O)=O Amb25245392 [0,2,0,0,0,0|0,0,2]=4 4582 B8R0.12 CC(N)(CC=C)C(N)=O Amb24382677 [0,2,0,0,0,0|2,0,0]=4 4583 B8R0.12 CC(N)(CC=C)C(O)=O Amb22733281 [0,2,0,0,0,0|1,0,0]=3 4584 B8R0.12 CC(N)(CC=C)C(O)=O Amb22898994 [0,2,0,0,0,0|1,0,0]=3 4585 B8R0.12 CC(N)(CCN)C(O)=O Amb24060975 [0,2,0,0,0,0|1,0,1]=4 4586 B8R0.12 CC(N)(CCO)C(O)=O Amb24340273 [0,2,0,0,0,0|0,0,2]=4 4587 B8R0.12 CC(N)(\C=C\I)C(O)=O Amb25234592 [0,2,0,0,0,0|1,0,1]=4 4588 B8R0.12 CC(O)(CC#C)C(O)=O Amb24680889 [0,2,0,0,0,0|1,0,1]=4 4589 B8R0.12 CC(O)(CC=C)C(O)=O Amb25077172 [0,2,0,0,0,0|1,0,0]=3 4590 B8R0.12 CC(O)(CCO)C(O)=O Amb25250520 [0,2,0,0,0,0|0,0,2]=4 4591 B8R0.12 CC(O)(CNO)C(O)=O Amb25032323 [0,2,0,0,0,0|1,0,1]=4 4592 B8R0.12 CC(O)(CON)C(O)=O Amb25853079 [0,2,0,0,0,0|2,0,0]=4 4593 B8R0.12 CC(O)(NC=O)C(O)=O Amb24417430 [0,2,0,0,0,0|1,0,0]=3 4594 B8R0.12 CC(S)(NC=O)C(O)=O Amb24477811 [0,2,0,0,0,0|1,0,0]=3 4595 B8R0.12 CCCC(C)(Br)C(O)=O Amb25772819 [0,2,0,0,0,0|1,0,1]=4 4596 B8R0.12 CCCC(C)(O)C(O)=O Amb18288835 [0,2,0,0,0,0|1,0,1]=4 4597 B8R0.12 CCCC(F)(F)C(O)=O Amb19929277 [0,2,0,0,0,0|1,0,1]=4 4598 B8R0.12 CCC[C@](C)(F)C(O)=O Amb24579970 [0,2,0,0,0,0|1,0,1]=4 4599 B8R0.12 CCC[C@](C)(O)C(O)=O Amb25114242 [0,2,0,0,0,0|1,0,1]=4 4600 B8R0.12 CNCC(C)(N)C(O)=O Amb24061057 [0,2,0,0,0,0|2,0,0]=4 4601 B8R0.12 CNCC(F)(F)C(O)=O Amb22497225 [0,2,0,0,0,0|2,0,0]=4 4602 B8R0.12 CNCC(F)(F)C(O)=O Amb22523480 [0,2,0,0,0,0|2,0,0]=4 4603 B8R0.12 COCC(C(=O)O)(C)C Amb10608195 [0,2,0,0,0,0|2,0,0]=4 4604 B8R0.12 COCC(C)(Cl)C(O)=O Amb24692925 [0,2,0,0,0,0|2,0,0]=4 4605 B8R0.12 COCC(C)(N)C(O)=O Amb18990135 [0,2,0,0,0,0|2,0,0]=4 4606 B8R0.12 COCC(C)(N)C(O)=O Amb20622455 [0,2,0,0,0,0|2,0,0]=4 4607 B8R0.12 COCC(C)(O)C(O)=O Amb18992608 [0,2,0,0,0,0|2,0,0]=4 4608 B8R0.12 COCC(F)(F)C(O)=O Amb24518571 [0,2,0,0,0,0|2,0,0]=4 4609 B8R0.12 COC[C@](C)(N)C(O)=O Amb24568285 [0,2,0,0,0,0|2,0,0]=4 4610 B8R0.12 CSCC(C)(C)C(O)=O Amb18124874 [0,2,0,0,0,0|2,0,0]=4 4611 B8R0.12 CSCC(C)(N)C(O)=O Amb18294541 [0,2,0,0,0,0|2,0,0]=4 4612 B8R0.12 CSCC(C)(O)C(O)=O Amb18644426 [0,2,0,0,0,0|2,0,0]=4 4613 B8R0.12 CSCC(F)(F)C(O)=O Amb23590987 [0,2,0,0,0,0|2,0,0]=4 4614 B8R0.12 C[C@@](C(=O)O)(CC#C)N Amb16183909 [0,2,0,0,0,0|1,0,1]=4 4615 B8R0.12 C[C@@](C(=O)O)(CCC)N Amb16232632 [0,2,0,0,0,0|1,0,1]=4 4616 B8R0.12 C[C@@](F)(CC=C)C(O)=O Amb25032094 [0,2,0,0,0,0|1,0,0]=3 4617 B8R0.12 C[C@@](N)(CC=C)C(O)=O Amb23402145 [0,2,0,0,0,0|1,0,0]=3 4618 B8R0.12 C[C@@](N)(CCF)C(O)=O Amb25146094 [0,2,0,0,0,0|1,0,1]=4 4619 B8R0.12 C[C@](C(=O)O)(CC#C)N Amb16183908 [0,2,0,0,0,0|1,0,1]=4 4620 B8R0.12 C[C@](F)(CC=C)C(O)=O Amb25251491 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.12 C[C@](N)(CC#N)C(O)=O Amb25078617 [0,2,0,0,0,0|1,0,1]=4 4622 B8R0.12 C[C@](N)(CC=C)C(N)=O Amb24385115 [0,2,0,0,0,0|2,0,0]=4 4623 B8R0.12 C[C@](N)(CCF)C(O)=O Amb24383347 [0,2,0,0,0,0|1,0,1]=4 4624 B8R0.12 C[C@](N)(CCN)C(O)=O Amb25348479 [0,2,0,0,0,0|1,0,1]=4 4625 B8R0.12 C[C@](N)(CCO)C(O)=O Amb24720458 [0,2,0,0,0,0|0,0,2]=4 4626 B8R0.12 C\C=C\C(C)(C)C(O)=O Amb18642634 [0,2,0,0,0,0|1,0,1]=4 4627 B8R0.12 C\C=C\C(C)(N)C(O)=O Amb24671255 [0,2,0,0,0,0|1,0,1]=4 4628 B8R0.12 N#CCC(C(=O)O)(C)C Amb17334096 [0,2,0,0,0,0|1,0,1]=4 4629 B8R0.12 OCCC(Cl)(Cl)C(O)=O Amb24692691 [0,2,0,0,0,0|0,0,2]=4 4630 B8R0.14 C=CCC(N)P(O)(O)=O Amb24480031 [0,2,0,0,0,0|2,0,0]=4 4631 B8R0.15 C=CC(CC#N)C(O)=O Amb25047315 [0,2,0,0,0,0|1,0,1]=4 4632 B8R0.15 C=CCC(=C=C)C(O)=O Amb25666226 [0,2,0,0,0,0|1,0,1]=4 4633 B8R0.15 C=CCC(C#N)C(N)=O Amb25214198 [0,2,0,0,0,0|2,0,0]=4 4634 B8R0.15 C=CCC(CO)C(O)=O Amb24763754 [0,2,0,0,0,0|1,0,0]=3 4635 B8R0.15 C=CC[C@@H](NO)C(O)=O Amb25328715 [0,2,0,0,0,0|1,0,0]=3 4636 B8R0.15 C=CC[C@H](CN)C(O)=O Amb24679707 [0,2,0,0,0,0|1,0,0]=3 4637 B8R0.15 C=CC\C(=C/Cl)\C(O)=O Amb24409542 [0,2,0,0,0,0|1,0,1]=4 4638 B8R0.15 C=CC\C(=N\O)\C(O)=O Amb25730709 [0,2,0,0,0,0|1,0,1]=4 4639 B8R0.15 C=C\C(=C/C=O)\C(O)=O Amb25103697 [0,2,0,0,0,0|0,0,2]=4 4640 B8R0.15 CC(=O)C(CC=C)C=C Amb24644393 [0,2,0,0,0,0|2,0,0]=4 4641 B8R0.15 CC=NC(CO)C(O)=O Amb24740970 [0,2,0,0,0,0|2,0,0]=4 4642 B8R0.15 CCC(CC#C)C(O)=O Amb18115864 [0,2,0,0,0,0|1,0,1]=4 4643 B8R0.15 CCC(CC#N)C(O)=O Amb25760267 [0,2,0,0,0,0|1,0,1]=4 4644 B8R0.15 CCC(CC=C)C(O)=O Amb18642632 [0,2,0,0,0,0|1,0,0]=3 4645 B8R0.15 CCC(CCC)C(O)=O Amb19009626 [0,2,0,0,0,0|1,0,1]=4 4646 B8R0.15 CCC(CCN)C(O)=O Amb24699884 [0,2,0,0,0,0|1,0,1]=4 4647 B8R0.15 CCC(CCO)C(O)=O Amb18642884 [0,2,0,0,0,0|0,0,2]=4 4648 B8R0.15 CCC(COC)C(O)=O Amb18124352 [0,2,0,0,0,0|2,0,0]=4 4649 B8R0.15 CCC(NC=O)C(N)=O Amb25768069 [0,2,0,0,0,0|2,0,0]=4 4650 B8R0.15 CCC(NN=O)C(O)=O Amb25219995 [0,2,0,0,0,0|2,0,0]=4 4651 B8R0.15 CCCC(C#C)C(O)=O Amb25280471 [0,2,0,0,0,0|1,0,1]=4 4652 B8R0.15 CCCC(CN)C(O)=O Amb19373497 [0,2,0,0,0,0|1,0,1]=4 4653 B8R0.15 CCCC(NBr)C(O)=O Amb24634034 [0,2,0,0,0,0|1,0,1]=4 4654 B8R0.15 CCCC(NC)C(O)=O Amb21961534 [0,2,0,0,0,0|1,0,1]=4 4655 B8R0.15 CCCC(NC)C(O)=O Amb22587444 [0,2,0,0,0,0|1,0,1]=4 4656 B8R0.15 CCCC(NCl)C(O)=O Amb25032132 [0,2,0,0,0,0|1,0,1]=4 4657 B8R0.15 CCCC(NO)C(O)=O Amb22372057 [0,2,0,0,0,0|1,0,1]=4 4658 B8R0.15 CCC[C@@H](CO)C(O)=O Amb24571859 [0,2,0,0,0,0|1,0,1]=4 4659 B8R0.15 CCC[C@@H](NC)C(O)=O Amb25771939 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.15 CCC[C@H](CO)C(O)=O Amb25063310 [0,2,0,0,0,0|1,0,1]=4 4661 B8R0.15 CCC[C@H](NC)C(O)=O Amb25062610 [0,2,0,0,0,0|1,0,1]=4 4662 B8R0.15 CCC[C@H](NO)C(O)=O Amb25744829 [0,2,0,0,0,0|1,0,1]=4 4663 B8R0.15 CC[C@@H](CC=C)C(C)=O Amb25294407 [0,2,0,0,0,0|2,0,0]=4 4664 B8R0.15 CC[C@@H](CCC)C(O)=O Amb24529114 [0,2,0,0,0,0|1,0,1]=4 4665 B8R0.15 CC[C@@H](NC=O)C(N)=O Amb25750944 [0,2,0,0,0,0|2,0,0]=4 4666 B8R0.15 CC[C@@H](NC=O)C(O)=O Amb24700206 [0,2,0,0,0,0|1,0,0]=3 4667 B8R0.15 CC[C@H](CC#N)C(O)=O Amb24358365 [0,2,0,0,0,0|1,0,1]=4 4668 B8R0.15 CC[C@H](CC=C)C(O)=O Amb25145662 [0,2,0,0,0,0|1,0,0]=3 4669 B8R0.15 CC[C@H](CCC)C(O)=O Amb24376457 [0,2,0,0,0,0|1,0,1]=4 4670 B8R0.15 CNC(CNC)C(O)=O Amb25066748 [0,2,0,0,0,0|2,0,0]=4 4671 B8R0.15 CNC(COC)C(O)=O Amb19304133 [0,2,0,0,0,0|2,0,0]=4 4672 B8R0.15 CNC(COC)C(O)=O Amb22059040 [0,2,0,0,0,0|2,0,0]=4 4673 B8R0.15 CNCC(C#N)C(O)=O Amb25756304 [0,2,0,0,0,0|2,0,0]=4 4674 B8R0.15 CNCC(OC)C(O)=O Amb25744334 [0,2,0,0,0,0|2,0,0]=4 4675 B8R0.15 CN[C@@H](CCS)C(O)=O Amb24533728 [0,2,0,0,0,0|0,1,1]=4 4676 B8R0.15 CN[C@@H](CNC)C(O)=O Amb24361748 [0,2,0,0,0,0|2,0,0]=4 4677 B8R0.15 CN[C@@H](COC)C(O)=O Amb25075397 [0,2,0,0,0,0|2,0,0]=4 4678 B8R0.15 CN[C@@H](CSC)C(O)=O Amb24377120 [0,2,0,0,0,0|2,0,0]=4 4679 B8R0.15 COC(CC=C)C(O)=O Amb24428233 [0,2,0,0,0,0|1,0,0]=3 4680 B8R0.15 COC(CSC)C(O)=O Amb25309562 [0,2,0,0,0,0|2,0,0]=4 4681 B8R0.15 COCC(C#N)C(O)=O Amb24382899 [0,2,0,0,0,0|2,0,0]=4 4682 B8R0.15 COCC(C=O)C(O)=O Amb24640433 [0,2,0,0,0,0|2,0,0]=4 4683 B8R0.15 COC[C@H](NO)C(O)=O Amb24671375 [0,2,0,0,0,0|2,0,0]=4 4684 B8R0.15 CO[C@@H](CCN)C(O)=O Amb25146111 [0,2,0,0,0,0|1,0,1]=4 4685 B8R0.15 CO[C@H](COC)C(O)=O Amb25122791 [0,2,0,0,0,0|2,0,0]=4 4686 B8R0.15 CSC(CC=C)C(O)=O Amb18644287 [0,2,0,0,0,0|1,0,0]=3 4687 B8R0.15 CSC(CSC)C(O)=O Amb24595007 [0,2,0,0,0,0|2,0,0]=4 4688 B8R0.15 CSC(NC=O)C(O)=O Amb24654838 [0,2,0,0,0,0|1,0,0]=3 4689 B8R0.15 C\C=C(\CC=C)/C(O)=O Amb25304688 [0,2,0,0,0,0|1,0,1]=4 4690 B8R0.15 C\C=C\C(CC)C(O)=O Amb18642657 [0,2,0,0,0,0|1,0,1]=4 4691 B8R0.15 C\C=C\C(SC)C(O)=O Amb18643349 [0,2,0,0,0,0|1,0,1]=4 4692 B8R0.15 NCCC(CF)C(O)=O Amb25174518 [0,2,0,0,0,0|1,0,1]=4 4693 B8R0.15 OC(=O)C(CS)NC=O Amb20093366 [0,2,0,0,0,0|1,0,0]=3 4694 B8R0.15 OC(=O)[C@H](CS)NC=O Amb24727230 [0,2,0,0,0,0|1,0,0]=3 4695 B8R0.15 OC(=O)[C@H](CS)NN=O Amb25675857 [0,2,0,0,0,0|2,0,0]=4 4696 B8R0.15 OCC(NC=O)C(O)=O Amb18290435 [0,2,0,0,0,0|1,0,0]=3 4697 B8R0.15 OC[C@H](NC=O)C(O)=O Amb24362974 [0,2,0,0,0,0|1,0,0]=3 4698 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,2,0,0,0,0|1,0,1]=4 4699 B8R0.29 CC(=O)CCS(N)(=O)=O Amb25204902 [0,2,0,0,0,0|1,0,1]=4 4700 B8R0.29 CC(=O)NCS(O)(=O)=O Amb25235237 [0,2,0,0,0,0|2,0,0]=4 4701 B8R0.29 CC(C)(Cl)CCC(O)=O Amb18644451 [0,2,0,0,0,0|1,0,1]=4 4702 B8R0.29 CC(C)(O)CCC([O-])=O Amb24271108 [0,2,0,0,0,0|1,0,1]=4 4703 B8R0.29 CC(C)(S)CCC(O)=O Amb22489759 [0,2,0,0,0,0|0,1,1]=4 4704 B8R0.29 CC(C)([NH3+])CCC(O)=O Amb22372040 [0,2,0,0,0,0|1,0,1]=4 4705 B8R0.29 CC(N)(F)CCC(O)=O Amb24672870 [0,2,0,0,0,0|1,0,1]=4 4706 B8R0.29 CS(=O)(=O)OCC(O)=O Amb25783884 [0,2,0,0,0,0|2,0,0]=4 4707 B8R0.29 C[N+](C)(C)CCC(O)=O Amb24117222 [0,2,0,0,0,0|2,0,0]=4 4708 B8R0.29 C[Si](C)(C)CCC(O)=O Amb19894136 [0,2,0,0,0,0|1,1,0]=4 4709 B8R0.29 C[Si](C)(C)CCC(O)=O Amb22274047 [0,2,0,0,0,0|1,1,0]=4 4710 B8R0.29 C[Si](C)(O)CCC(O)=O Amb24680973 [0,2,0,0,0,0|0,1,1]=4 4711 B8R0.29 NC(=O)CCS(O)(=O)=O Amb24678269 [0,2,0,0,0,0|1,0,0]=3 4712 B8R0.29 NC(=O)COS(O)(=O)=O Amb24425511 [0,2,0,0,0,0|2,0,0]=4 4713 B8R0.29 NC(=O)NCP(O)(O)=O Amb25311924 [0,2,0,0,0,0|2,0,0]=4 4714 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,2,0,0,0,0|1,0,1]=4 4715 B8R0.29 OC(=O)CCC(Br)(F)F Amb10838819 [0,2,0,0,0,0|1,0,1]=4 4716 B8R0.29 OC(=O)CCC(F)(Cl)Cl Amb25062982 [0,2,0,0,0,0|1,0,1]=4 4717 B8R0.29 OC(=O)CCC(N)(C)C Amb13951332 [0,2,0,0,0,0|1,0,1]=4 4718 B8R0.29 OC(=O)CCP(=O)(O)C Amb1792559 [0,2,0,0,0,0|1,0,0]=3 4719 B8R0.29 OC(=O)CCP(=O)(O)O Amb2228990 [0,2,0,0,0,0|1,0,0]=3 4720 B8R0.29 OC(=O)CCS(=O)(=O)Cl Amb24481869 [0,2,0,0,0,0|1,0,0]=3 4721 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [0,2,0,0,0,0|1,0,0]=3 4722 B8R0.29 OC(=O)CCS(=O)(=O)S Amb24627680 [0,2,0,0,0,0|1,0,0]=3 4723 B8R0.29 OC(=O)CC[B-](F)(F)F Amb24351210 [0,2,0,0,0,0|2,0,0]=4 4724 B8R0.29 OC(=O)CC[Ge](Cl)(Cl)Cl Amb19930252 [0,2,0,0,0,0|1,1,0]=4 4725 B8R0.29 OC(=O)CC[P](O)(O)O Amb24543829 [0,2,0,0,0,0|1,0,1]=4 4726 B8R0.29 OC(=O)CNP(O)(O)=O Amb25831517 [0,2,0,0,0,0|2,0,0]=4 4727 B8R0.29 OC(=O)CNS(=O)(=O)C Amb1120433 [0,2,0,0,0,0|2,0,0]=4 4728 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [0,2,0,0,0,0|2,0,0]=4 4729 B8R0.29 OC(=O)COCl(=O)(=O)=O Amb24532150 [0,2,0,0,0,0|2,0,0]=4 4730 B8R0.29 OC(=O)COP(O)(O)=O Amb24442945 [0,2,0,0,0,0|2,0,0]=4 4731 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [0,2,0,0,0,0|2,0,0]=4 4732 B8R0.29 OC(=O)CSS(=O)(=O)C Amb17610576 [0,2,0,0,0,0|2,0,0]=4 4733 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [0,2,0,0,0,0|2,0,0]=4 4734 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [0,2,0,0,0,0|2,0,0]=4 4735 B8R0.29 [O-]C(=O)CC[Si](O)(O)O Amb19893682 [0,2,0,0,0,0|0,1,1]=4 4736 B6R1.2 C1C[NH2+]NC1=O Amb2408363 [1,0,0,1,0,0|2,0,0]=4 4737 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,1,0,0|2,0,0]=4 4738 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,1,0,0|2,0,0]=4 4739 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,1,0,0|1,0,1]=4 4740 B6R1.2 O=C1CCCN1 Amb20240633 [1,0,0,1,0,0|1,0,1]=4 4741 B6R1.2 O=C1CCCN1 Amb22338202 [1,0,0,1,0,0|1,0,1]=4 4742 B6R1.2 O=C1CCCN1 Amb22432663 [1,0,0,1,0,0|1,0,1]=4 4743 B6R1.2 O=C1CCCS1 Amb22338102 [1,0,0,1,0,0|0,1,1]=4 4744 B6R1.2 O=C1CCNN1 Amb22730624 [1,0,0,1,0,0|2,0,0]=4 4745 B6R1.2 O=C1CCON1 Amb22235009 [1,0,0,1,0,0|1,0,1]=4 4746 B6R1.2 O=C1CN=CO1 Amb24333834 [1,0,0,1,0,0|1,0,0]=3 4747 B6R1.2 O=C1CNC=C1 Amb22234991 [1,0,0,1,0,0|2,0,0]=4 4748 B6R1.2 O=C1CNCO1 Amb24661408 [1,0,0,1,0,0|1,0,1]=4 4749 B6R1.2 O=C1COC=C1 Amb24107591 [1,0,0,1,0,0|2,0,0]=4 4750 B6R1.2 O=C1CSC=C1 Amb22736500 [1,0,0,1,0,0|2,0,0]=4 4751 B6R1.2 O=C1CS[Ca]O1 Amb22369695 [1,0,0,1,0,0|2,0,0]=4 4752 B6R1.2 O=C1N=CCO1 Amb25024901 [1,0,0,1,0,0|2,0,0]=4 4753 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,1,0,0|1,0,1]=4 4754 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,1,0,0|2,0,0]=4 4755 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,1,0,0|1,0,1]=4 4756 B6R1.2 O=[13C]1CCCC1 Amb22353487 [1,0,0,1,0,0|1,0,1]=4 4757 B6R1.2 O=[13C]1OCCO1 Amb22338878 [1,0,0,1,0,0|1,0,1]=4 4758 B6R1.2 O=[13C]1O[13CH2][13CH2]O1 Amb22351705 [1,0,0,1,0,0|1,0,1]=4 4759 B6R1.2 OC1=NNCC1 Amb2111955 [1,0,0,1,0,0|2,0,0]=4 4760 B6R1.2 OC1CCC=C1 Amb17593023 [1,0,0,1,0,0|1,0,1]=4 4761 B6R1.2 O[C@H]1CCC=C1 Amb25146308 [1,0,0,1,0,0|1,0,1]=4 4762 B6R1.2 S=C1CC=CO1 Amb25365370 [1,0,0,1,0,0|0,1,1]=4 4763 B6R1.2 S=C1CCC=C1 Amb25147777 [1,0,0,1,0,0|1,1,0]=4 4764 B6R1.5 CC1CC(=O)C1 Amb22284831 [1,0,0,1,0,0|1,0,1]=4 4765 B6R1.5 CC1CC(=O)O1 Amb13777279 [1,0,0,1,0,0|0,0,1]=3 4766 B6R1.5 C[C@@H]1CC(=O)O1 Amb10603200 [1,0,0,1,0,0|0,0,1]=3 4767 B6R1.5 C[C@H]1CC(=O)N1 Amb25755939 [1,0,0,1,0,0|1,0,1]=4 4768 B6R1.5 C[C@H]1CC(=O)O1 Amb16234264 [1,0,0,1,0,0|0,0,1]=3 4769 B6R1.5 NC1CC(=O)C1 Amb20241928 [1,0,0,1,0,0|2,0,0]=4 4770 B6R1.5 NC1CC(=O)C1 Amb23439093 [1,0,0,1,0,0|2,0,0]=4 4771 B6R1.5 O=C1CC(Br)C1 Amb22388498 [1,0,0,1,0,0|2,0,0]=4 4772 B6R1.5 O=C1CC(Br)N1 Amb24332152 [1,0,0,1,0,0|2,0,0]=4 4773 B6R1.5 O=C1CC(Cl)C1 Amb25087791 [1,0,0,1,0,0|2,0,0]=4 4774 B6R1.5 O=C1CC(Cl)N1 Amb24531401 [1,0,0,1,0,0|2,0,0]=4 4775 B6R1.5 O=C1CC(F)N1 Amb24588463 [1,0,0,1,0,0|2,0,0]=4 4776 B6R1.5 OC1CC(=O)C1 Amb22235480 [1,0,0,1,0,0|1,0,1]=4 4777 B6R1.5 O[C@H]1CC(=O)O1 Amb25106737 [1,0,0,1,0,0|0,0,1]=3 4778 B6R1.8 C=C1CC1C=O Amb25288413 [1,0,0,1,0,0|2,0,0]=4 4779 B6R1.8 CC1=CC1C=O Amb24695489 [1,0,0,1,0,0|2,0,0]=4 4780 B6R1.8 CC1OC1C=O Amb24728876 [1,0,0,1,0,0|1,0,1]=4 4781 B6R1.8 CCC1CC1=O Amb24686409 [1,0,0,1,0,0|1,0,1]=4 4782 B6R1.8 CCC1OC1=O Amb24426509 [1,0,0,1,0,0|0,0,1]=3 4783 B6R1.8 C[C@H]1O[C@@H]1C=O Amb25025768 [1,0,0,1,0,0|1,0,1]=4 4784 B6R1.8 C[C@H]1O[C@H]1C=O Amb25207058 [1,0,0,1,0,0|1,0,1]=4 4785 B6R1.9 CC1(O)CC1=O Amb24478175 [1,0,0,1,0,0|1,0,1]=4 4786 B6R1.11 CC(=O)C1C=C1 Amb25025234 [1,0,0,1,0,0|1,0,1]=4 4787 B6R1.11 CC(=O)C1C=N1 Amb24689548 [1,0,0,1,0,0|2,0,0]=4 4788 B6R1.11 CC(=O)C1CS1 Amb25373120 [1,0,0,1,0,0|1,1,0]=4 4789 B6R1.11 CC(=O)[C@H]1CO1 Amb24628197 [1,0,0,1,0,0|1,0,1]=4 4790 B6R1.11 FC(=O)C1CC1 Amb17673783 [1,0,0,1,0,0|1,0,1]=4 4791 B6R1.11 NC(=O)C1CC1 Amb1789460 [1,0,0,1,0,0|1,0,1]=4 4792 B6R1.11 N[13C](=O)[13CH]1[13CH2]O1 Amb17614804 [1,0,0,1,0,0|1,0,1]=4 4793 B6R1.11 OC(=O)C1CN1 Amb21864773 [1,0,0,1,0,0|1,0,0]=3 4794 B6R1.11 OC(=O)C1CS1 Amb24641854 [1,0,0,1,0,0|0,1,0]=3 4795 B6R1.11 OC(=O)[C@@H]1CN1 Amb22745452 [1,0,0,1,0,0|1,0,0]=3 4796 B6R1.11 OS(=O)C1CC1 Amb24334290 [1,0,0,1,0,0|1,0,1]=4 4797 B6R1.11 [O-]C(=O)C1CO1 Amb22492453 [1,0,0,1,0,0|0,0,2]=4 4798 B6R1.11 [O-]C(=O)[C@@H]1CO1 Amb22503671 [1,0,0,1,0,0|0,0,2]=4 4799 B6R1.11 [O-]C(=O)[C@H]1CO1 Amb22503672 [1,0,0,1,0,0|0,0,2]=4 4800 B6R1.4 C=C1CCC1=O Amb25747444 [1,0,0,1,0,0|1,0,0]=3 4801 B6R1.4 C=C1CNC1=O Amb25213040 [1,0,0,1,0,0|2,0,0]=4 4802 B6R1.4 C=C1OCC1=O Amb24478475 [1,0,0,1,0,0|2,0,0]=4 4803 B6R1.4 CC=1CCC1Br Amb25189799 [1,0,0,1,0,0|2,0,0]=4 4804 B6R1.4 C[C@@H]1CCC1=O Amb24334317 [1,0,0,1,0,0|1,0,1]=4 4805 B6R1.4 C[C@H]1CCC1=O Amb24333446 [1,0,0,1,0,0|1,0,1]=4 4806 B6R1.4 NC1CCC1=O Amb22896568 [1,0,0,1,0,0|1,0,1]=4 4807 B6R1.4 O=C1C=CC1=O Amb22731249 [1,0,0,1,0,0|0,0,2]=4 4808 B6R1.4 O=C1CCC1Br Amb21964157 [1,0,0,1,0,0|1,0,1]=4 4809 B6R1.4 O=C1CCC1C Amb17593022 [1,0,0,1,0,0|1,0,1]=4 4810 B6R1.4 O=C1CCC1Cl Amb19892275 [1,0,0,1,0,0|1,0,1]=4 4811 B6R1.4 O=C1CCC1O Amb17593027 [1,0,0,1,0,0|0,0,1]=3 4812 B6R1.4 O=C1NNC1=O Amb25328306 [1,0,0,1,0,0|2,0,0]=4 4813 B6R1.4 OC1CNC1=O Amb24689689 [1,0,0,1,0,0|1,0,1]=4 4814 B6R1.6 O=CC1CCN1 Amb25757222 [1,0,0,1,0,0|1,0,1]=4 4815 B6R1.6 O=CC1CCO1 Amb24565587 [1,0,0,1,0,0|0,0,1]=3 4816 B6R1.6 O=CC1COC1 Amb21857829 [1,0,0,1,0,0|2,0,0]=4 4817 B6R1.6 O=CC1CSC1 Amb25145476 [1,0,0,1,0,0|2,0,0]=4 4818 B8R1.1 C#CC1COC(=O)O1 Amb25056381 [0,1,0,1,0,0|1,0,1]=4 4819 B8R1.1 C=CC1=CCC(=O)O1 Amb24695919 [0,1,0,1,0,0|1,0,1]=4 4820 B8R1.1 C=CC1=NCC(=O)O1 Amb24686009 [0,1,0,1,0,0|1,0,1]=4 4821 B8R1.1 C=CC1CCC(=O)N1 Amb20622087 [0,1,0,1,0,0|2,0,0]=4 4822 B8R1.1 C=CC1CNC(=O)C1 Amb25117425 [0,1,0,1,0,0|2,0,0]=4 4823 B8R1.1 C=CC1CNC(=O)O1 Amb25064259 [0,1,0,1,0,0|1,0,0]=3 4824 B8R1.1 C=CC1CNC(=S)O1 Amb20622116 [0,1,0,1,0,0|1,1,0]=4 4825 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,1,0,1,0,0|1,0,0]=3 4826 B8R1.1 C=CC1COC(=O)O1 Amb17942789 [0,1,0,1,0,0|1,0,0]=3 4827 B8R1.1 C=CC1CSC(=O)N1 Amb25327260 [0,1,0,1,0,0|2,0,0]=4 4828 B8R1.1 C=C[C@@H]1C=CC(=O)O1 Amb25106519 [0,1,0,1,0,0|1,0,1]=4 4829 B8R1.1 C=C[C@@H]1CNC(=S)O1 Amb22169199 [0,1,0,1,0,0|1,1,0]=4 4830 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,1,0,1,0,0|1,0,0]=3 4831 B8R1.1 C=C[C@H]1CC(=O)CC1 Amb24524536 [0,1,0,1,0,0|2,0,0]=4 4832 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,1,0,1,0,0|1,0,0]=3 4833 B8R1.1 CC1CC(CO1)C=O Amb25296463 [0,1,0,1,0,0|1,0,1]=4 4834 B8R1.1 CC1CCC(O1)C=O Amb17593184 [0,1,0,1,0,0|1,0,1]=4 4835 B8R1.1 CCC1=NCC(=O)O1 Amb25238829 [0,1,0,1,0,0|2,0,0]=4 4836 B8R1.1 CC[C@@H]1CNC(=O)O1 Amb24507830 [0,1,0,1,0,0|1,0,1]=4 4837 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,1,0,1,0,0|1,0,1]=4 4838 B8R1.1 CN1CCC(C=O)O1 Amb24333644 [0,1,0,1,0,0|2,0,0]=4 4839 B8R1.1 CNC=1CCC(=O)C1 Amb24377588 [0,1,0,1,0,0|2,0,0]=4 4840 B8R1.1 COC1=CC(=O)CO1 Amb25831195 [0,1,0,1,0,0|2,0,0]=4 4841 B8R1.1 COC1=CC(=O)CS1 Amb25032219 [0,1,0,1,0,0|2,0,0]=4 4842 B8R1.1 COC1=CCC(=O)O1 Amb24695758 [0,1,0,1,0,0|0,0,2]=4 4843 B8R1.1 COC1CC(=O)CC1 Amb24483163 [0,1,0,1,0,0|1,0,1]=4 4844 B8R1.1 COC1CCC(=O)N1 Amb17617087 [0,1,0,1,0,0|1,0,1]=4 4845 B8R1.1 COC=1CCC(=O)C1 Amb21864758 [0,1,0,1,0,0|1,0,0]=3 4846 B8R1.1 CSC=1CCC(=O)C1 Amb24626948 [0,1,0,1,0,0|1,1,0]=4 4847 B8R1.1 C\C=C\1/CCC(=O)O1 Amb24751500 [0,1,0,1,0,0|1,0,0]=3 4848 B8R1.1 ClCC1CCC(=O)O1 Amb10608418 [0,1,0,1,0,0|1,0,1]=4 4849 B8R1.1 ClCC1CNC(=O)O1 Amb1152954 [0,1,0,1,0,0|1,0,1]=4 4850 B8R1.1 N#CC=1CCC(=O)C1 Amb18122621 [0,1,0,1,0,0|2,0,0]=4 4851 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,1,0,1,0,0|1,0,1]=4 4852 B8R1.1 NCC1CNC(=O)O1 Amb17506099 [0,1,0,1,0,0|1,0,1]=4 4853 B8R1.1 NCC1CNC(=O)O1 Amb23439310 [0,1,0,1,0,0|1,0,1]=4 4854 B8R1.1 NCC1COC(=O)C1 Amb22642236 [0,1,0,1,0,0|1,0,1]=4 4855 B8R1.1 NCC1CSC(=O)O1 Amb25843341 [0,1,0,1,0,0|1,0,1]=4 4856 B8R1.1 NC[C@@H]1CCC(=O)O1 Amb24656037 [0,1,0,1,0,0|1,0,1]=4 4857 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb24183560 [0,1,0,1,0,0|1,0,1]=4 4858 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb25127772 [0,1,0,1,0,0|1,0,1]=4 4859 B8R1.1 NC[C@H]1CCC(=O)O1 Amb24376645 [0,1,0,1,0,0|1,0,1]=4 4860 B8R1.1 O=C1C=C(C=O)ON1 Amb22498283 [0,1,0,1,0,0|0,0,2]=4 4861 B8R1.1 O=C1C=C(CO1)C=O Amb24417175 [0,1,0,1,0,0|0,0,2]=4 4862 B8R1.1 O=C1CC(C=O)=NN1 Amb18203380 [0,1,0,1,0,0|1,0,1]=4 4863 B8R1.1 O=C1CC(CCl)CO1 Amb25367200 [0,1,0,1,0,0|1,0,1]=4 4864 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,1,0,1,0,0|1,0,1]=4 4865 B8R1.1 O=C1CC=C(CBr)O1 Amb24469203 [0,1,0,1,0,0|1,0,1]=4 4866 B8R1.1 O=C1CCC(=C1)C=O Amb24483014 [0,1,0,1,0,0|1,0,0]=3 4867 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,1,0,1,0,0|1,0,1]=4 4868 B8R1.1 O=C1CCC(CCl)=C1 Amb24645790 [0,1,0,1,0,0|2,0,0]=4 4869 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,1,0,1,0,0|1,0,1]=4 4870 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,1,0,1,0,0|1,0,1]=4 4871 B8R1.1 O=C1CC\C(=C\Br)\O1 Amb24605306 [0,1,0,1,0,0|1,0,0]=3 4872 B8R1.1 O=C1CC\C(=C\Cl)\O1 Amb25024821 [0,1,0,1,0,0|1,0,0]=3 4873 B8R1.1 O=C1C[C@@H](CF)CO1 Amb22746494 [0,1,0,1,0,0|1,0,1]=4 4874 B8R1.1 O=C1C[C@H](CBr)CO1 Amb24429041 [0,1,0,1,0,0|1,0,1]=4 4875 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,1,0,1,0,0|1,0,1]=4 4876 B8R1.1 O=C1NCC(C=O)N1 Amb25262428 [0,1,0,1,0,0|1,0,0]=3 4877 B8R1.1 O=C1NCC(CBr)O1 Amb24530204 [0,1,0,1,0,0|1,0,1]=4 4878 B8R1.1 O=C1NCC(CS)O1 Amb25725846 [0,1,0,1,0,0|0,1,1]=4 4879 B8R1.1 O=C1NC[C@@H](CCl)O1 Amb22232513 [0,1,0,1,0,0|1,0,1]=4 4880 B8R1.1 O=C1NC[C@H](C=O)N1 Amb25114412 [0,1,0,1,0,0|1,0,0]=3 4881 B8R1.1 O=C1NC[C@H](CCl)O1 Amb25077275 [0,1,0,1,0,0|1,0,1]=4 4882 B8R1.1 O=C1OC[C@H](CCl)O1 Amb25234049 [0,1,0,1,0,0|1,0,1]=4 4883 B8R1.1 O=C1O\C(\CO1)=C/Br Amb25074539 [0,1,0,1,0,0|1,0,1]=4 4884 B8R1.1 O=C1SC[C@@H](C=O)S1 Amb24481521 [0,1,0,1,0,0|0,1,0]=3 4885 B8R1.1 O=CC1C=CC(=O)O1 Amb24528815 [0,1,0,1,0,0|0,0,1]=3 4886 B8R1.1 O=CC1CC(=O)CC1 Amb18124240 [0,1,0,1,0,0|1,0,0]=3 4887 B8R1.1 O=CC1CC(Br)CO1 Amb22730623 [0,1,0,1,0,0|1,0,1]=4 4888 B8R1.1 O=CC1CCC(=O)N1 Amb24113125 [0,1,0,1,0,0|1,0,0]=3 4889 B8R1.1 O=CC1CCC(=O)O1 Amb18641761 [0,1,0,1,0,0|0,0,0]=2 4890 B8R1.1 O=CC1CCC(=O)S1 Amb25094339 [0,1,0,1,0,0|0,1,0]=3 4891 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,1,0,1,0,0|1,0,0]=3 4892 B8R1.1 O=CN1CC(=O)CC1 Amb25787488 [0,1,0,1,0,0|1,0,0]=3 4893 B8R1.1 O=C[C@@H]1CC(=O)CC1 Amb24481518 [0,1,0,1,0,0|1,0,0]=3 4894 B8R1.1 O=C[C@@H]1CCC(=O)O1 Amb24527426 [0,1,0,1,0,0|0,0,0]=2 4895 B8R1.1 O=C[C@@H]1CCC(=O)S1 Amb24483031 [0,1,0,1,0,0|0,1,0]=3 4896 B8R1.1 O=C[C@@H]1CNC(=O)C1 Amb24377645 [0,1,0,1,0,0|1,0,0]=3 4897 B8R1.1 O=C[C@H]1CC(=O)CC1 Amb25759704 [0,1,0,1,0,0|1,0,0]=3 4898 B8R1.1 O=C[C@H]1CCC(=O)N1 Amb24482383 [0,1,0,1,0,0|1,0,0]=3 4899 B8R1.1 O=NN1CCC(=O)N1 Amb2417179 [0,1,0,1,0,0|2,0,0]=4 4900 B8R1.1 OC1CC(CC1)C=O Amb18641801 [0,1,0,1,0,0|1,0,1]=4 4901 B8R1.1 OC1CN(CC1)C=O Amb24501609 [0,1,0,1,0,0|1,0,1]=4 4902 B8R1.1 OCC1=NC(=O)CS1 Amb25739997 [0,1,0,1,0,0|2,0,0]=4 4903 B8R1.1 OCC1CC(=O)CC1 Amb22168734 [0,1,0,1,0,0|1,0,1]=4 4904 B8R1.1 OCC1CC(=O)CO1 Amb24117838 [0,1,0,1,0,0|0,0,2]=4 4905 B8R1.1 OCC1CCC(=O)N1 Amb1162732 [0,1,0,1,0,0|1,0,1]=4 4906 B8R1.1 OCC1CCC(=O)O1 Amb20240701 [0,1,0,1,0,0|0,0,2]=4 4907 B8R1.1 OCC1COC(=O)C1 Amb22886806 [0,1,0,1,0,0|0,0,2]=4 4908 B8R1.1 OCC1OCC(=O)O1 Amb24643063 [0,1,0,1,0,0|0,0,2]=4 4909 B8R1.1 OCC=1COC(=O)C1 Amb23557062 [0,1,0,1,0,0|2,0,0]=4 4910 B8R1.1 OC[C@@H]1CC(=O)CC1 Amb22748084 [0,1,0,1,0,0|1,0,1]=4 4911 B8R1.1 OC[C@@H]1CCC(=O)N1 Amb2371840 [0,1,0,1,0,0|1,0,1]=4 4912 B8R1.1 OC[C@@H]1CCC(=O)S1 Amb24372061 [0,1,0,1,0,0|0,1,1]=4 4913 B8R1.1 OC[C@@H]1CNC(=O)O1 Amb24183552 [0,1,0,1,0,0|0,0,2]=4 4914 B8R1.1 OC[C@@H]1COC(=O)C1 Amb24414055 [0,1,0,1,0,0|0,0,2]=4 4915 B8R1.1 OC[C@H]1CC(=O)CC1 Amb24532129 [0,1,0,1,0,0|1,0,1]=4 4916 B8R1.1 OC[C@H]1CCC(=O)S1 Amb25823343 [0,1,0,1,0,0|0,1,1]=4 4917 B8R1.1 OC[C@H]1CNC(=O)O1 Amb22737250 [0,1,0,1,0,0|0,0,2]=4 4918 B8R1.1 O[C@H]1CN(CC1)C=O Amb25771374 [0,1,0,1,0,0|1,0,1]=4 4919 B8R1.1 O[C@H]1C[C@@H](CC1)C=O Amb24617244 [0,1,0,1,0,0|1,0,1]=4 4920 B8R1.1 O\N=C\1/NC(=O)CS1 Amb19651333 [0,1,0,1,0,0|2,0,0]=4 4921 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,1,0,1,0,0|2,0,0]=4 4922 B8R1.4 CC1=CC(=O)CCO1 Amb25053054 [0,1,0,1,0,0|2,0,0]=4 4923 B8R1.4 CC1=CC(=O)CCS1 Amb25092957 [0,1,0,1,0,0|2,0,0]=4 4924 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,1,0,1,0,0|1,0,0]=3 4925 B8R1.4 CC1=CCNC(=O)O1 Amb23596886 [0,1,0,1,0,0|1,0,1]=4 4926 B8R1.4 CC1CC(=O)CC=C1 Amb25713549 [0,1,0,1,0,0|2,0,0]=4 4927 B8R1.4 CC1CC(=O)NC=C1 Amb24745438 [0,1,0,1,0,0|2,0,0]=4 4928 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,1,0,1,0,0|1,0,1]=4 4929 B8R1.4 CC1CCOC(=O)C1 Amb15693478 [0,1,0,1,0,0|1,0,1]=4 4930 B8R1.4 CC=1CC(=O)OCC1 Amb24751502 [0,1,0,1,0,0|1,0,1]=4 4931 B8R1.4 CC=1COCC(=O)C1 Amb25065804 [0,1,0,1,0,0|2,0,0]=4 4932 B8R1.4 CC=1NCCC(=O)N1 Amb24382048 [0,1,0,1,0,0|2,0,0]=4 4933 B8R1.4 N=C1NC(=O)CCS1 Amb24666714 [0,1,0,1,0,0|2,0,0]=4 4934 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,1,0,1,0,0|2,0,0]=4 4935 B8R1.4 NC1=NC(=O)CCN1 Amb17607753 [0,1,0,1,0,0|2,0,0]=4 4936 B8R1.4 NC1CC(=O)NC=C1 Amb10552502 [0,1,0,1,0,0|2,0,0]=4 4937 B8R1.4 NC1CC(=O)OCC1 Amb18641823 [0,1,0,1,0,0|1,0,1]=4 4938 B8R1.4 NC=1CCCC(=O)N1 Amb24525241 [0,1,0,1,0,0|2,0,0]=4 4939 B8R1.4 NC=1CCNC(=O)C1 Amb22229455 [0,1,0,1,0,0|2,0,0]=4 4940 B8R1.4 NC=1CCNC(=O)N1 Amb24481491 [0,1,0,1,0,0|2,0,0]=4 4941 B8R1.4 NC=1COCC(=O)C1 Amb25785409 [0,1,0,1,0,0|2,0,0]=4 4942 B8R1.4 NC=1NCCC(=O)N1 Amb18641724 [0,1,0,1,0,0|2,0,0]=4 4943 B8R1.4 N[C@H]1CC(=O)OCC1 Amb24550653 [0,1,0,1,0,0|1,0,1]=4 4944 B8R1.4 O=C1C=C(Br)CCN1 Amb23400583 [0,1,0,1,0,0|2,0,0]=4 4945 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,1,0,1,0,0|2,0,0]=4 4946 B8R1.4 O=C1C=C(Br)CCO1 Amb23400648 [0,1,0,1,0,0|2,0,0]=4 4947 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,1,0,1,0,0|0,0,2]=4 4948 B8R1.4 O=C1C=NCC(=O)N1 Amb25195978 [0,1,0,1,0,0|1,0,1]=4 4949 B8R1.4 O=C1CC(=O)OC=C1 Amb25358147 [0,1,0,1,0,0|1,0,1]=4 4950 B8R1.4 O=C1CC=CC(=N1)O Amb10552473 [0,1,0,1,0,0|1,0,1]=4 4951 B8R1.4 O=C1CCCC(=S)N1 Amb25807347 [0,1,0,1,0,0|1,1,0]=4 4952 B8R1.4 O=C1CCCC(I)=C1 Amb25706767 [0,1,0,1,0,0|2,0,0]=4 4953 B8R1.4 O=C1CCCC(S)=C1 Amb25128260 [0,1,0,1,0,0|1,1,0]=4 4954 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,1,0,1,0,0|1,0,0]=3 4955 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,1,0,1,0,0|1,0,0]=3 4956 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,1,0,1,0,0|0,0,0]=2 4957 B8R1.4 O=C1CCOC(=O)N1 Amb25055705 [0,1,0,1,0,0|1,0,0]=3 4958 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,1,0,1,0,0|1,0,0]=3 4959 B8R1.4 O=C1CCSC(Cl)=C1 Amb25053022 [0,1,0,1,0,0|2,0,0]=4 4960 B8R1.4 O=C1CNCC(=O)C1 Amb22755578 [0,1,0,1,0,0|1,0,0]=3 4961 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,1,0,1,0,0|1,0,0]=3 4962 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,1,0,1,0,0|1,0,0]=3 4963 B8R1.4 O=C1CNCC(=O)O1 Amb25834762 [0,1,0,1,0,0|0,0,0]=2 4964 B8R1.4 O=C1COCC(=O)C1 Amb22292040 [0,1,0,1,0,0|1,0,0]=3 4965 B8R1.4 O=C1COCC(=O)C1 Amb22406411 [0,1,0,1,0,0|1,0,0]=3 4966 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,1,0,1,0,0|1,0,0]=3 4967 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,1,0,1,0,0|0,0,0]=2 4968 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,1,0,1,0,0|1,0,0]=3 4969 B8R1.4 O=C1NC(=O)CC=N1 Amb24060969 [0,1,0,1,0,0|1,0,1]=4 4970 B8R1.4 O=C1NC(=S)CCN1 Amb25266952 [0,1,0,1,0,0|1,1,0]=4 4971 B8R1.4 O=C1NOCC(=O)N1 Amb25270094 [0,1,0,1,0,0|2,0,0]=4 4972 B8R1.4 O=C1[CH-]C(=O)COC1 Amb20241003 [0,1,0,1,0,0|1,0,0]=3 4973 B8R1.4 O=[13C]1CCC[13C](=O)O1 Amb17614796 [0,1,0,1,0,0|0,0,0]=2 4974 B8R1.4 O=[13C]1CCC[13C](=O)[13CH2]1 Amb17611454 [0,1,0,1,0,0|1,0,0]=3 4975 B8R1.4 O=[13C]1[13CH2][13CH2][13CH2][13C](=O)[13CH2]1 Amb17611455 [0,1,0,1,0,0|1,0,0]=3 4976 B8R1.4 OC1=CC(=O)CCC1 Amb17844413 [0,1,0,1,0,0|1,0,0]=3 4977 B8R1.4 OC1CC(=O)CCC1 Amb22754759 [0,1,0,1,0,0|1,0,1]=4 4978 B8R1.4 OC1CC(=O)CCN1 Amb24746013 [0,1,0,1,0,0|1,0,1]=4 4979 B8R1.4 OC1CC(=O)OCC1 Amb24475154 [0,1,0,1,0,0|1,0,1]=4 4980 B8R1.4 OC1CCNC(=O)C1 Amb10602744 [0,1,0,1,0,0|1,0,1]=4 4981 B8R1.4 OC1CNCC(=O)N1 Amb24446977 [0,1,0,1,0,0|1,0,1]=4 4982 B8R1.4 OC=1CSCC(=O)C1 Amb25773337 [0,1,0,1,0,0|1,0,0]=3 4983 B8R1.4 O[C@@H]1CC(=O)NCC1 Amb22744924 [0,1,0,1,0,0|1,0,1]=4 4984 B8R1.4 O[C@@H]1CCNC(=O)C1 Amb17845212 [0,1,0,1,0,0|1,0,1]=4 4985 B8R1.4 O[C@H]1CC(=O)CCC1 Amb25320136 [0,1,0,1,0,0|1,0,1]=4 4986 B8R1.4 O[C@H]1CC(=O)OCC1 Amb25320391 [0,1,0,1,0,0|1,0,1]=4 4987 B8R1.4 S=C1CCSC(=O)N1 Amb2470197 [0,1,0,1,0,0|1,1,0]=4 4988 B8R1.18 CC1=CC(=O)CC1Br Amb24552421 [0,1,0,1,0,0|2,0,0]=4 4989 B8R1.18 CC1=CC(=O)CC1Cl Amb24711398 [0,1,0,1,0,0|2,0,0]=4 4990 B8R1.18 CC1=CC(=O)CC1O Amb24633748 [0,1,0,1,0,0|2,0,0]=4 4991 B8R1.18 CC1=CC(=O)C[C@@H]1O Amb25093715 [0,1,0,1,0,0|2,0,0]=4 4992 B8R1.18 CC1=CC(=O)C[C@H]1O Amb24612700 [0,1,0,1,0,0|2,0,0]=4 4993 B8R1.18 CC1=CC(Cl)C(=O)O1 Amb24349720 [0,1,0,1,0,0|1,0,1]=4 4994 B8R1.18 CC1CC(=O)NC1=N Amb25039964 [0,1,0,1,0,0|2,0,0]=4 4995 B8R1.18 CC1CC(O)CC1=O Amb24752493 [0,1,0,1,0,0|1,0,1]=4 4996 B8R1.18 CC1CC(O)NC1=O Amb24377025 [0,1,0,1,0,0|1,0,1]=4 4997 B8R1.18 CC1CC(O)OC1=O Amb25283481 [0,1,0,1,0,0|0,0,2]=4 4998 B8R1.18 CC1C[C@@H](N)C(=O)O1 Amb24622840 [0,1,0,1,0,0|1,0,1]=4 4999 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,1,0,1,0,0|2,0,0]=4 5000 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,1,0,1,0,0|1,0,0]=3 5001 B8R1.18 CC1OC(=O)CC1Cl Amb24483262 [0,1,0,1,0,0|1,0,1]=4 5002 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,1,0,1,0,0|2,0,0]=4 5003 B8R1.18 CC1OC(O)=CC1=O Amb24398067 [0,1,0,1,0,0|2,0,0]=4 5004 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,1,0,1,0,0|2,0,0]=4 5005 B8R1.18 CC=1CC(C)C(=O)C1 Amb24647798 [0,1,0,1,0,0|2,0,0]=4 5006 B8R1.18 CC=1C[C@@H](C)C(=O)C1 Amb24686437 [0,1,0,1,0,0|2,0,0]=4 5007 B8R1.18 CC=1OC(=O)CC1Br Amb25101107 [0,1,0,1,0,0|1,0,1]=4 5008 B8R1.18 CN1CC(=O)CC1=O Amb18833080 [0,1,0,1,0,0|2,0,0]=4 5009 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,1,0,1,0,0|1,0,0]=3 5010 B8R1.18 CN1CC(O)=CC1=O Amb17943215 [0,1,0,1,0,0|2,0,0]=4 5011 B8R1.18 C[C@@H]1CC(=O)NC1=O Amb25709913 [0,1,0,1,0,0|1,0,0]=3 5012 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,1,0,1,0,0|0,0,0]=2 5013 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,1,0,1,0,0|1,0,1]=4 5014 B8R1.18 C[C@@H]1C[C@@H](O)C(=O)O1 Amb24615353 [0,1,0,1,0,0|1,0,1]=4 5015 B8R1.18 C[C@@H]1C[C@H](Cl)C(=O)O1 Amb24596085 [0,1,0,1,0,0|1,0,1]=4 5016 B8R1.18 C[C@@H]1C[C@H](N)C(=O)O1 Amb24760900 [0,1,0,1,0,0|1,0,1]=4 5017 B8R1.18 C[C@@H]1C[C@H](O)C(=O)O1 Amb24519690 [0,1,0,1,0,0|1,0,1]=4 5018 B8R1.18 C[C@@H]1C[C@H](O)CC1=O Amb25236934 [0,1,0,1,0,0|1,0,1]=4 5019 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,1,0,1,0,0|2,0,0]=4 5020 B8R1.18 C[C@@H]1NC(=O)SC1=O Amb25339419 [0,1,0,1,0,0|1,1,0]=4 5021 B8R1.18 C[C@@H]1NC(=S)OC1=O Amb24649827 [0,1,0,1,0,0|1,1,0]=4 5022 B8R1.18 C[C@@H]1OC(=O)C=C1O Amb25087875 [0,1,0,1,0,0|2,0,0]=4 5023 B8R1.18 C[C@@H]1OC(=O)CC1O Amb25332464 [0,1,0,1,0,0|1,0,1]=4 5024 B8R1.18 C[C@@H]1OC(=O)C[C@H]1C Amb24583426 [0,1,0,1,0,0|1,0,1]=4 5025 B8R1.18 C[C@@H]1OC(=O)C[C@H]1O Amb25328533 [0,1,0,1,0,0|1,0,1]=4 5026 B8R1.18 C[C@H]1C[C@H](Br)C(=O)O1 Amb25322131 [0,1,0,1,0,0|1,0,1]=4 5027 B8R1.18 C[C@H]1C[C@H](N)C(=O)O1 Amb24538781 [0,1,0,1,0,0|1,0,1]=4 5028 B8R1.18 C[C@H]1OC(=O)C[C@@H]1C Amb25245321 [0,1,0,1,0,0|1,0,1]=4 5029 B8R1.18 C[C@H]1OC(=O)C[C@@H]1O Amb24577403 [0,1,0,1,0,0|1,0,1]=4 5030 B8R1.18 C[C@H]1OC(=O)C[C@H]1N Amb24619491 [0,1,0,1,0,0|1,0,1]=4 5031 B8R1.18 NC1CC(=O)OC1=O Amb19929452 [0,1,0,1,0,0|0,0,0]=2 5032 B8R1.18 NC1CC(=O)OC1O Amb24745298 [0,1,0,1,0,0|0,0,2]=4 5033 B8R1.18 N[C@@H]1CC(=O)NC1=O Amb18033835 [0,1,0,1,0,0|1,0,0]=3 5034 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,1,0,1,0,0|0,0,0]=2 5035 B8R1.18 O=C1C=C(C(=O)O1)Br Amb15693391 [0,1,0,1,0,0|0,0,2]=4 5036 B8R1.18 O=C1C=C(C(=O)O1)Cl Amb10070255 [0,1,0,1,0,0|0,0,2]=4 5037 B8R1.18 O=C1C=C(C(C1)C)C Amb16191977 [0,1,0,1,0,0|2,0,0]=4 5038 B8R1.18 O=C1CC(C(=O)N1)C Amb10609734 [0,1,0,1,0,0|1,0,0]=3 5039 B8R1.18 O=C1CC(Cl)C(Cl)=C1 Amb25101609 [0,1,0,1,0,0|2,0,0]=4 5040 B8R1.18 O=C1CN(C(=O)N1)N Amb1106079 [0,1,0,1,0,0|2,0,0]=4 5041 B8R1.18 O=C1C[C@@H](C(=O)N1)N Amb17134612 [0,1,0,1,0,0|1,0,0]=3 5042 B8R1.18 O=C1NC(=O)CC1Br Amb25226801 [0,1,0,1,0,0|1,0,0]=3 5043 B8R1.18 O=C1NC(=O)CC1S Amb25325951 [0,1,0,1,0,0|1,0,0]=3 5044 B8R1.18 O=C1NC(=O)CN1S Amb25856955 [0,1,0,1,0,0|2,0,0]=4 5045 B8R1.18 O=C1NC(C(=O)N1)C Amb1150065 [0,1,0,1,0,0|2,0,0]=4 5046 B8R1.18 O=C1NC(C(=O)N1)O Amb17615425 [0,1,0,1,0,0|2,0,0]=4 5047 B8R1.18 O=C1NC(Cl)C(=O)N1 Amb25690677 [0,1,0,1,0,0|2,0,0]=4 5048 B8R1.18 O=C1N[C@@H](C(=O)N1)C Amb17617475 [0,1,0,1,0,0|2,0,0]=4 5049 B8R1.18 O=C1N[C@H](C(=O)N1)C Amb17617476 [0,1,0,1,0,0|2,0,0]=4 5050 B8R1.18 O=C1OC(=O)CC1Cl Amb24677749 [0,1,0,1,0,0|0,0,0]=2 5051 B8R1.18 O=C1OC(=O)C[C@@H]1Br Amb24558394 [0,1,0,1,0,0|0,0,0]=2 5052 B8R1.18 O=C1OC(=O)C[C@@H]1Cl Amb25837364 [0,1,0,1,0,0|0,0,0]=2 5053 B8R1.18 O=C1SC(C(=O)N1)Br Amb2436078 [0,1,0,1,0,0|2,0,0]=4 5054 B8R1.18 O=[13C]1[13CH2]N([13C](=O)N1)N Amb17608095 [0,1,0,1,0,0|2,0,0]=4 5055 B8R1.18 OC1=CC(=O)CC1=O Amb24330381 [0,1,0,1,0,0|1,0,1]=4 5056 B8R1.18 OC1=CC(=O)CN1O Amb24369018 [0,1,0,1,0,0|2,0,0]=4 5057 B8R1.18 OC1CC(=O)CC1=O Amb24330382 [0,1,0,1,0,0|1,0,0]=3 5058 B8R1.18 OC1CC(=O)CC1O Amb25834386 [0,1,0,1,0,0|1,0,1]=4 5059 B8R1.18 OC=1CC(=O)C(=O)C1 Amb25721482 [0,1,0,1,0,0|1,0,1]=4 5060 B8R1.18 O[C@@H]1CC(=O)OC1=O Amb25142904 [0,1,0,1,0,0|0,0,0]=2 5061 B8R1.18 O[C@H]1CC(=O)NC1=O Amb24458089 [0,1,0,1,0,0|1,0,0]=3 5062 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,1,0,1,0,0|2,0,0]=4 5063 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [0,1,0,1,0,0|1,0,0]=3 5064 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [0,1,0,1,0,0|1,0,0]=3 5065 B8R1.20 CC1CC1CC(O)=O Amb25316515 [0,1,0,1,0,0|1,0,1]=4 5066 B8R1.20 CC1OC1CC(O)=O Amb24710388 [0,1,0,1,0,0|0,0,2]=4 5067 B8R1.20 C[C@@H]1O[C@H]1CC(N)=O Amb24629162 [0,1,0,1,0,0|1,0,1]=4 5068 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [0,1,0,1,0,0|1,0,1]=4 5069 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [0,1,0,1,0,0|0,0,2]=4 5070 B8R1.20 N[C@H]1C[C@H]1CC(O)=O Amb24585123 [0,1,0,1,0,0|1,0,1]=4 5071 B8R1.31 CC(=O)C1CNC1=O Amb24526367 [0,1,0,1,0,0|1,0,0]=3 5072 B8R1.31 CC(=O)C1COC1=O Amb24601316 [0,1,0,1,0,0|1,0,0]=3 5073 B8R1.31 CC(C)=C1CCC1=O Amb24583609 [0,1,0,1,0,0|2,0,0]=4 5074 B8R1.31 CC(O)C1CCC1=O Amb24363437 [0,1,0,1,0,0|1,0,1]=4 5075 B8R1.31 CC(O)N1CCC1=O Amb24431543 [0,1,0,1,0,0|1,0,1]=4 5076 B8R1.31 CC1CCC1C(O)=O Amb21857447 [0,1,0,1,0,0|1,0,1]=4 5077 B8R1.31 CN1CCC1C(O)=O Amb22011586 [0,1,0,1,0,0|1,0,1]=4 5078 B8R1.31 CN1CC[C@@H]1C(O)=O Amb24183372 [0,1,0,1,0,0|1,0,1]=4 5079 B8R1.31 CN1CC[C@H]1C(O)=O Amb24699921 [0,1,0,1,0,0|1,0,1]=4 5080 B8R1.31 C[C@@H]1CC[C@H]1C(O)=O Amb25174793 [0,1,0,1,0,0|1,0,1]=4 5081 B8R1.31 C[C@@H]1CN[C@@H]1C(O)=O Amb24597629 [0,1,0,1,0,0|1,0,1]=4 5082 B8R1.31 C[C@H](O)[C@@H]1CNC1=O Amb25224413 [0,1,0,1,0,0|1,0,1]=4 5083 B8R1.31 C[C@H]1CC[C@@H]1C(O)=O Amb24561899 [0,1,0,1,0,0|1,0,1]=4 5084 B8R1.31 C[C@H]1CC[C@H]1C(O)=O Amb25259513 [0,1,0,1,0,0|1,0,1]=4 5085 B8R1.31 C[C@H]1CN[C@@H]1C(O)=O Amb24629618 [0,1,0,1,0,0|1,0,1]=4 5086 B8R1.31 NN1CCC1C(O)=O Amb25189887 [0,1,0,1,0,0|1,0,1]=4 5087 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24117048 [0,1,0,1,0,0|1,0,1]=4 5088 B8R1.31 N[C@@H]1CC[C@@H]1C(O)=O Amb24183584 [0,1,0,1,0,0|1,0,1]=4 5089 B8R1.31 N[C@@H]1CO[C@@H]1C(O)=O Amb24568133 [0,1,0,1,0,0|0,0,2]=4 5090 B8R1.31 N[C@@H]1CO[C@H]1C(O)=O Amb24681491 [0,1,0,1,0,0|0,0,2]=4 5091 B8R1.31 N[C@H]1CO[C@@H]1C(O)=O Amb25324265 [0,1,0,1,0,0|0,0,2]=4 5092 B8R1.31 O=C1CNC1S(=O)Cl Amb25746265 [0,1,0,1,0,0|2,0,0]=4 5093 B8R1.31 OC(=O)C1C=CC1Cl Amb24482989 [0,1,0,1,0,0|1,0,0]=3 5094 B8R1.31 OC(=O)C1CCC1S Amb25830696 [0,1,0,1,0,0|0,1,1]=4 5095 B8R1.31 OC(=O)C1CNC1=O Amb24524290 [0,1,0,1,0,0|0,0,0]=2 5096 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1Cl Amb24514834 [0,1,0,1,0,0|1,0,1]=4 5097 B8R1.31 OC(=O)[C@@H]1CC[C@H]1Cl Amb24580965 [0,1,0,1,0,0|1,0,1]=4 5098 B8R1.31 OC1CCC1C(O)=O Amb24481384 [0,1,0,1,0,0|0,0,2]=4 5099 B8R1.31 OC=1CCC1C(O)=O Amb25119748 [0,1,0,1,0,0|0,0,1]=3 5100 B8R1.31 [C@H]1(CNC1=O)[C@@H](C)O Amb17843592 [0,1,0,1,0,0|1,0,1]=4 5101 B8R1.34 OC(=O)CC1CCN1 Amb25068427 [0,1,0,1,0,0|1,0,1]=4 5102 B8R1.34 OC(=O)CC1CNC1 Amb21856240 [0,1,0,1,0,0|1,0,1]=4 5103 B8R1.34 OC(=O)CC1CNC1 Amb22057370 [0,1,0,1,0,0|1,0,1]=4 5104 B8R1.34 OC(=O)CC1CNC1 Amb22739043 [0,1,0,1,0,0|1,0,1]=4 5105 B8R1.34 OC(=O)CC1COC1 Amb18199145 [0,1,0,1,0,0|0,0,2]=4 5106 B8R1.34 OC(=O)CC=1CCC1 Amb24397299 [0,1,0,1,0,0|1,0,1]=4 5107 B8R1.34 OC(=O)CN1CCC1 Amb22059611 [0,1,0,1,0,0|1,0,1]=4 5108 B8R1.40 COC(=O)CC1CC1 Amb20622313 [0,1,0,1,0,0|1,0,1]=4 5109 B8R1.40 ONC(=O)CC1CC1 Amb25704077 [0,1,0,1,0,0|1,0,1]=4 5110 B8R1.42 CC1(CC(O)=O)CC1 Amb18833039 [0,1,0,1,0,0|1,0,1]=4 5111 B8R1.42 NC1(CC(O)=O)CC1 Amb18833024 [0,1,0,1,0,0|1,0,1]=4 5112 B8R1.42 NC1(CC(O)=O)CC1 Amb21964520 [0,1,0,1,0,0|1,0,1]=4 5113 B8R1.42 OC(=O)CC1(O)CC1 Amb24117238 [0,1,0,1,0,0|1,0,1]=4 5114 B8R1.43 C#C[C@@H]1C[C@H]1C(O)=O Amb25294666 [0,1,0,1,0,0|1,0,1]=4 5115 B8R1.43 C#C[C@H]1C[C@@H]1C(O)=O Amb24076488 [0,1,0,1,0,0|1,0,1]=4 5116 B8R1.43 C=CC1CC1C(N)=O Amb24530246 [0,1,0,1,0,0|2,0,0]=4 5117 B8R1.43 C=C[C@H]1C[C@@H]1C(O)=O Amb24562586 [0,1,0,1,0,0|1,0,0]=3 5118 B8R1.43 C=C[C@H]1C[C@H]1C(O)=O Amb25173924 [0,1,0,1,0,0|1,0,0]=3 5119 B8R1.43 CC(=C)C1CC1C=O Amb25834385 [0,1,0,1,0,0|2,0,0]=4 5120 B8R1.43 CC(=O)[C@@H]1C[C@@H]1C=C Amb25784181 [0,1,0,1,0,0|2,0,0]=4 5121 B8R1.43 CC(=O)[C@H]1C[C@@H]1C=C Amb24570441 [0,1,0,1,0,0|2,0,0]=4 5122 B8R1.43 CCC1CC1C(O)=O Amb18961272 [0,1,0,1,0,0|1,0,1]=4 5123 B8R1.43 CCC1OC1C(O)=O Amb24640795 [0,1,0,1,0,0|1,0,1]=4 5124 B8R1.43 CC[C@@H]1C[C@H]1C(O)=O Amb24112910 [0,1,0,1,0,0|1,0,1]=4 5125 B8R1.43 CC[C@@H]1O[C@H]1C(O)=O Amb24587605 [0,1,0,1,0,0|1,0,1]=4 5126 B8R1.43 COC1CC1C(O)=O Amb25081919 [0,1,0,1,0,0|0,0,2]=4 5127 B8R1.43 CO[C@@H]1C[C@H]1C(O)=O Amb24514838 [0,1,0,1,0,0|0,0,2]=4 5128 B8R1.43 C\C=C/1\CC1C(O)=O Amb24386730 [0,1,0,1,0,0|1,0,0]=3 5129 B8R1.43 C\C=C/1\C[C@H]1C(O)=O Amb25359125 [0,1,0,1,0,0|1,0,0]=3 5130 B8R1.43 N#CC1CC1C(O)=O Amb24183452 [0,1,0,1,0,0|1,0,1]=4 5131 B8R1.43 N#C[C@@H]1C[C@@H]1C(O)=O Amb24183522 [0,1,0,1,0,0|1,0,1]=4 5132 B8R1.43 N#C[C@@H]1C[C@H]1C(O)=O Amb24183456 [0,1,0,1,0,0|1,0,1]=4 5133 B8R1.43 N#C[C@H]1C[C@H]1C(O)=O Amb25168974 [0,1,0,1,0,0|1,0,1]=4 5134 B8R1.43 NC[C@@H]1C[C@@H]1C(O)=O Amb24680970 [0,1,0,1,0,0|1,0,1]=4 5135 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,1,0,1,0,0|1,0,1]=4 5136 B8R1.43 OC(=O)[C@@H]1C[C@H]1C=O Amb25174216 [0,1,0,1,0,0|0,0,0]=2 5137 B8R1.43 OC(=O)[C@@H]1C[C@H]1CCl Amb24698643 [0,1,0,1,0,0|1,0,1]=4 5138 B8R1.43 OC(=O)[C@H]1C[C@@H]1C=O Amb25188101 [0,1,0,1,0,0|0,0,0]=2 5139 B8R1.43 OC(=O)[C@H]1C[C@@H]1CBr Amb24515045 [0,1,0,1,0,0|1,0,1]=4 5140 B8R1.43 OC(=O)[C@H]1O[C@@H]1CBr Amb24603042 [0,1,0,1,0,0|1,0,1]=4 5141 B8R1.43 OCC1CC1C(O)=O Amb25173469 [0,1,0,1,0,0|0,0,2]=4 5142 B8R1.43 OC[C@@H]1C[C@H]1C(O)=O Amb25231147 [0,1,0,1,0,0|0,0,2]=4 5143 B8R1.43 OC[C@H]1C[C@@H]1C(O)=O Amb25319844 [0,1,0,1,0,0|0,0,2]=4 5144 B8R1.51 CC1(O)CC(=O)CC1 Amb25129578 [0,1,0,1,0,0|1,0,1]=4 5145 B8R1.51 CC1(O)CCC(=O)N1 Amb24483013 [0,1,0,1,0,0|1,0,1]=4 5146 B8R1.51 CC1(O)CCC(=O)O1 Amb22338334 [0,1,0,1,0,0|0,0,2]=4 5147 B8R1.51 CP1(=O)CC(=O)CC1 Amb25231314 [0,1,0,1,0,0|2,0,0]=4 5148 B8R1.51 CP1(=O)CCC(=O)O1 Amb22228817 [0,1,0,1,0,0|1,0,0]=3 5149 B8R1.51 O=C1CCC(O1)([2H])[2H] Amb17610398 [0,1,0,1,0,0|1,0,1]=4 5150 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,1,0,1,0,0|1,0,1]=4 5151 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,1,0,1,0,0|1,0,1]=4 5152 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,1,0,1,0,0|1,0,0]=3 5153 B8R1.62 CC1(CC(=C)C1)C=O Amb24653633 [0,1,0,1,0,0|2,0,0]=4 5154 B8R1.62 CC1(CC(=O)N1)C=C Amb24347816 [0,1,0,1,0,0|2,0,0]=4 5155 B8R1.62 CC1(CCl)CC(=O)O1 Amb25784185 [0,1,0,1,0,0|1,0,1]=4 5156 B8R1.62 C[C@@]1(CC(=O)N1)C=C Amb25770505 [0,1,0,1,0,0|2,0,0]=4 5157 B8R1.67 CC(=O)[C@@H]1[C@@H](C)C1=C Amb24634605 [0,1,0,1,0,0|2,0,0]=4 5158 B8R1.67 CC(=O)[C@H]1[C@H](C)C1=C Amb25336490 [0,1,0,1,0,0|2,0,0]=4 5159 B8R1.67 CC1C(C1C)C(O)=O Amb25314641 [0,1,0,1,0,0|1,0,1]=4 5160 B8R1.67 CC1C(N)C1C(O)=O Amb25764435 [0,1,0,1,0,0|1,0,1]=4 5161 B8R1.67 CC=1C(C(O)=O)C1C Amb25737086 [0,1,0,1,0,0|1,0,1]=4 5162 B8R1.67 CC=1C(C)C1C(O)=O Amb24586301 [0,1,0,1,0,0|1,0,1]=4 5163 B8R1.67 CC=1[C@H](C)C1C(O)=O Amb24445514 [0,1,0,1,0,0|1,0,1]=4 5164 B8R1.67 C[C@@H]1[C@H]([C@@H]1C)C(O)=O Amb25378219 [0,1,0,1,0,0|1,0,1]=4 5165 B8R1.67 C[C@H]1C([C@@H]1C)C(O)=O Amb25811791 [0,1,0,1,0,0|1,0,1]=4 5166 B8R1.67 C[C@H]1[C@H](N)[C@@H]1C(O)=O Amb24698691 [0,1,0,1,0,0|1,0,1]=4 5167 B8R1.83 CCC(=O)C1CC1=C Amb25712970 [0,1,0,1,0,0|2,0,0]=4 5168 B8R1.83 COC(=O)C1CC1F Amb25373911 [0,1,0,1,0,0|1,0,1]=4 5169 B8R1.83 COC(=O)C1CC1O Amb25328067 [0,1,0,1,0,0|0,0,2]=4 5170 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br Amb25242493 [0,1,0,1,0,0|1,0,1]=4 5171 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Cl Amb24519340 [0,1,0,1,0,0|1,0,1]=4 5172 B8R1.83 COC(=O)[C@@H]1C[C@H]1Cl Amb24610039 [0,1,0,1,0,0|1,0,1]=4 5173 B8R1.83 COC(=O)[C@H]1C[C@@H]1Cl Amb24519701 [0,1,0,1,0,0|1,0,1]=4 5174 B8R1.83 COC(=O)[C@H]1C[C@@H]1N Amb24629188 [0,1,0,1,0,0|1,0,1]=4 5175 B8R1.83 C[C@H]1C[C@@H]1C(=O)NO Amb25358413 [0,1,0,1,0,0|1,0,1]=4 5176 B8R1.2 COC=1CCC=CC1 Amb22348084 [0,1,0,1,0,0|2,0,0]=4 5177 B8R1.2 O=C[C@H]1CCC=CO1 Amb24533832 [0,1,0,1,0,0|1,0,1]=4 5178 B8R1.3 C=C1CCC(=O)C=C1 Amb24416744 [0,1,0,1,0,0|2,0,0]=4 5179 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,1,0,1,0,0|2,0,0]=4 5180 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,1,0,1,0,0|2,0,0]=4 5181 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,1,0,1,0,0|1,0,1]=4 5182 B8R1.3 CC=1CCC(=O)NC1 Amb25078192 [0,1,0,1,0,0|2,0,0]=4 5183 B8R1.3 C[C@H]1CCC(=O)CO1 Amb25262664 [0,1,0,1,0,0|1,0,1]=4 5184 B8R1.3 O=C1CCC(=O)CN1 Amb15692796 [0,1,0,1,0,0|1,0,0]=3 5185 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,1,0,1,0,0|1,0,0]=3 5186 B8R1.3 O=C1CNC(=O)CC1 Amb22491034 [0,1,0,1,0,0|1,0,0]=3 5187 B8R1.3 O=C1CNC(=O)OC1 Amb24481365 [0,1,0,1,0,0|1,0,0]=3 5188 B8R1.3 O=C1NCC(=O)NC1 Amb1011605 [0,1,0,1,0,0|2,0,0]=4 5189 B8R1.3 OC1CCC(=O)NC1 Amb10066907 [0,1,0,1,0,0|1,0,1]=4 5190 B8R1.3 O[C@H]1CCC(=O)C=C1 Amb25707492 [0,1,0,1,0,0|1,0,1]=4 5191 B8R1.5 C=C1CCC=CC1=O Amb25205461 [0,1,0,1,0,0|2,0,0]=4 5192 B8R1.5 CC1C=CCCC1=O Amb25723298 [0,1,0,1,0,0|2,0,0]=4 5193 B8R1.5 CC1CC=CCC1=O Amb17593140 [0,1,0,1,0,0|2,0,0]=4 5194 B8R1.5 CC1CC=NNC1=O Amb22752103 [0,1,0,1,0,0|2,0,0]=4 5195 B8R1.5 O=C1OC=CCC1=O Amb25373353 [0,1,0,1,0,0|1,0,1]=4 5196 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,1,0,1,0,0|1,0,1]=4 5197 B8R1.5 OC1C=CCCC1=O Amb25346850 [0,1,0,1,0,0|1,0,0]=3 5198 B8R1.5 OC1CCCOC1=O Amb19959000 [0,1,0,1,0,0|1,0,1]=4 5199 B8R1.5 OC1CNCCC1=O Amb24075970 [0,1,0,1,0,0|2,0,0]=4 5200 B8R1.5 OC1OCCCC1=O Amb24645841 [0,1,0,1,0,0|0,0,2]=4 5201 B8R1.5 ON1CNCCC1=O Amb24120639 [0,1,0,1,0,0|2,0,0]=4 5202 B8R1.5 O[C@@H]1COCCC1=O Amb25086646 [0,1,0,1,0,0|2,0,0]=4 5203 B8R1.5 O[C@H]1CCC=CC1=O Amb25263127 [0,1,0,1,0,0|1,0,1]=4 5204 B8R1.13 C=CCC1CCC1=O Amb17593141 [0,1,0,1,0,0|2,0,0]=4 5205 B8R1.13 C=CCC1CNC1=O Amb25303046 [0,1,0,1,0,0|2,0,0]=4 5206 B8R1.17 C=CC[C@@H]1O[C@H]1C=O Amb24746823 [0,1,0,1,0,0|1,0,1]=4 5207 B8R1.17 CC[C@H]1O[C@H]1CC=O Amb24513084 [0,1,0,1,0,0|1,0,1]=4 5208 B8R1.22 O=C1CC=CCCC1 Amb24450177 [0,1,0,1,0,0|2,0,0]=4 5209 B8R1.22 O=C1CCC=CC=C1 Amb17593120 [0,1,0,1,0,0|2,0,0]=4 5210 B8R1.22 O=C1CCC=CCC1 Amb22230447 [0,1,0,1,0,0|2,0,0]=4 5211 B8R1.22 O=C1CCOCCO1 Amb24060726 [0,1,0,1,0,0|1,0,1]=4 5212 B8R1.22 O=C1CCSC=CN1 Amb24560312 [0,1,0,1,0,0|2,0,0]=4 5213 B8R1.22 O=C1COCCCC1 Amb25143067 [0,1,0,1,0,0|1,0,1]=4 5214 B8R1.22 O=C1COCCCO1 Amb24558825 [0,1,0,1,0,0|1,0,1]=4 5215 B8R1.22 O=C1OCCCCO1 Amb25350626 [0,1,0,1,0,0|1,0,1]=4 5216 B8R1.38 COC(=O)C1CCN1 Amb20243415 [0,1,0,1,0,0|1,0,1]=4 5217 B8R1.38 COC(=O)C1CCN1 Amb22757529 [0,1,0,1,0,0|1,0,1]=4 5218 B8R1.38 COC(=O)C1CCO1 Amb22736125 [0,1,0,1,0,0|0,0,2]=4 5219 B8R1.38 COC(=O)C1CNC1 Amb10604008 [0,1,0,1,0,0|2,0,0]=4 5220 B8R1.38 COC(=O)C1CNC1 Amb13883580 [0,1,0,1,0,0|2,0,0]=4 5221 B8R1.38 COC(=O)C1COC1 Amb21927994 [0,1,0,1,0,0|2,0,0]=4 5222 B8R1.38 COC(=O)C1COC1 Amb21961760 [0,1,0,1,0,0|2,0,0]=4 5223 B8R1.38 COC(=O)[C@@H]1CCN1 Amb19888362 [0,1,0,1,0,0|1,0,1]=4 5224 B8R1.38 COC(=O)[C@@H]1CCN1 Amb22405994 [0,1,0,1,0,0|1,0,1]=4 5225 B8R1.38 COC(=O)[C@H]1CCN1 Amb22737543 [0,1,0,1,0,0|1,0,1]=4 5226 B8R1.38 COC(=O)[C@H]1CCN1 Amb24694404 [0,1,0,1,0,0|1,0,1]=4 5227 B8R1.38 ONC(=O)C1CCO1 Amb25295628 [0,1,0,1,0,0|0,0,2]=4 5228 B8R1.38 ONC(=O)C1CNC1 Amb25684724 [0,1,0,1,0,0|2,0,0]=4 5229 B8R1.38 ONC(=O)C1COC1 Amb24557050 [0,1,0,1,0,0|2,0,0]=4 5230 B8R1.46 C=CC1NC(=O)C1I Amb25376617 [0,1,0,1,0,0|2,0,0]=4 5231 B8R1.46 C[C@@H]1[C@H](CBr)OC1=O Amb24612442 [0,1,0,1,0,0|1,0,1]=4 5232 B8R1.46 C[C@H]1[C@H](CBr)OC1=O Amb24626650 [0,1,0,1,0,0|1,0,1]=4 5233 B8R1.46 OC1C(CO)OC1=O Amb25359586 [0,1,0,1,0,0|0,0,2]=4 5234 B8R1.46 OCC1CC(=O)N1O Amb25143826 [0,1,0,1,0,0|0,0,2]=4 5235 B8R1.46 ON1C(CBr)CC1=O Amb25137528 [0,1,0,1,0,0|1,0,1]=4 5236 B8R1.47 O=C[C@H]1C[C@H](C1)C=O Amb25756147 [0,1,0,1,0,0|1,0,1]=4 5237 B8R1.50 BrC1=C(C)CCC1=O Amb10067495 [0,1,0,1,0,0|2,0,0]=4 5238 B8R1.50 BrC1C(=O)CCC1=O Amb10975590 [0,1,0,1,0,0|1,0,0]=3 5239 B8R1.50 BrC1C(=O)COC1=O Amb17594578 [0,1,0,1,0,0|2,0,0]=4 5240 B8R1.50 C=C1C(=O)CCC1=O Amb25128928 [0,1,0,1,0,0|1,0,0]=3 5241 B8R1.50 CC1=CCC(=O)C1=O Amb25718940 [0,1,0,1,0,0|1,0,1]=4 5242 B8R1.50 CC1CCC(=O)C1=O Amb22233560 [0,1,0,1,0,0|1,0,1]=4 5243 B8R1.50 CC1CCC(=O)C1O Amb25773264 [0,1,0,1,0,0|1,0,1]=4 5244 B8R1.50 CC=1CCC(=O)C1C Amb22351730 [0,1,0,1,0,0|2,0,0]=4 5245 B8R1.50 CC=1COC(=O)C1O Amb23571854 [0,1,0,1,0,0|2,0,0]=4 5246 B8R1.50 CC=1CSC(=O)C1O Amb24638526 [0,1,0,1,0,0|2,0,0]=4 5247 B8R1.50 CN1C(=O)CCC1=S Amb24064848 [0,1,0,1,0,0|1,1,0]=4 5248 B8R1.50 CN1C(=O)CNC1=O Amb22002559 [0,1,0,1,0,0|2,0,0]=4 5249 B8R1.50 CN1C(=O)COC1=O Amb21927685 [0,1,0,1,0,0|2,0,0]=4 5250 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,1,0,1,0,0|2,0,0]=4 5251 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [0,1,0,1,0,0|2,0,0]=4 5252 B8R1.50 CN1[C@H](O)CCC1=O Amb24684724 [0,1,0,1,0,0|1,0,1]=4 5253 B8R1.50 C[C-]1C(=O)CCC1=O Amb24458437 [0,1,0,1,0,0|1,0,0]=3 5254 B8R1.50 C[C@@H]1CCC(=O)C1=O Amb24357250 [0,1,0,1,0,0|1,0,1]=4 5255 B8R1.50 C[C@H]1[C@H](O)CCC1=O Amb24631662 [0,1,0,1,0,0|1,0,1]=4 5256 B8R1.50 NN1C(=O)CCC1=O Amb18641764 [0,1,0,1,0,0|1,0,0]=3 5257 B8R1.50 NN1C(=O)CCC1=O Amb24323275 [0,1,0,1,0,0|1,0,0]=3 5258 B8R1.50 NN1C(=O)CSC1=O Amb22011876 [0,1,0,1,0,0|2,0,0]=4 5259 B8R1.50 O=C1C(=O)COC1=O Amb24364125 [0,1,0,1,0,0|1,0,1]=4 5260 B8R1.50 O=C1C(Cl)=CCC1=O Amb25745802 [0,1,0,1,0,0|1,0,1]=4 5261 B8R1.50 O=C1CCC(=O)C1F Amb24466994 [0,1,0,1,0,0|1,0,0]=3 5262 B8R1.50 O=C1CCC(=O)C1[Na] Amb25162789 [0,1,0,1,0,0|1,0,0]=3 5263 B8R1.50 OC1=C(O)CCC1=O Amb17593179 [0,1,0,1,0,0|0,0,1]=3 5264 B8R1.50 OC1C(=O)C=CC1=O Amb25272521 [0,1,0,1,0,0|0,0,2]=4 5265 B8R1.50 OC1C(=O)CCC1=O Amb24443990 [0,1,0,1,0,0|0,0,0]=2 5266 B8R1.50 OC1C(=O)COC1=O Amb25143349 [0,1,0,1,0,0|1,0,0]=3 5267 B8R1.50 OC1CCC(=O)C1=O Amb24432188 [0,1,0,1,0,0|0,0,1]=3 5268 B8R1.50 OC1CCC(=O)C1O Amb24627902 [0,1,0,1,0,0|0,0,2]=4 5269 B8R1.50 OC1CCC(=O)N1C Amb17615583 [0,1,0,1,0,0|1,0,1]=4 5270 B8R1.50 OC=1C(=O)CCC1Br Amb24677469 [0,1,0,1,0,0|1,0,0]=3 5271 B8R1.50 OC=1C(=O)OCC1O Amb23505710 [0,1,0,1,0,0|1,0,1]=4 5272 B8R1.50 OC=1CCC(=O)C1Br Amb25205766 [0,1,0,1,0,0|1,0,0]=3 5273 B8R1.50 OC=1CCC(=O)C1Cl Amb24378334 [0,1,0,1,0,0|1,0,0]=3 5274 B8R1.50 OC=1COC(=O)C1Cl Amb22360617 [0,1,0,1,0,0|2,0,0]=4 5275 B8R1.50 ON1C(=O)CCC1=O Amb1152089 [0,1,0,1,0,0|0,0,0]=2 5276 B8R1.50 ON1C(=O)CNC1=O Amb24699499 [0,1,0,1,0,0|1,0,0]=3 5277 B8R1.58 CC1(CO)CCC1=O Amb24380838 [0,1,0,1,0,0|1,0,1]=4 5278 B8R1.58 COC1(C)CCC1=O Amb24623249 [0,1,0,1,0,0|1,0,1]=4 5279 B8R1.58 COC1(O)CCC1=O Amb25073368 [0,1,0,1,0,0|0,0,2]=4 5280 B8R1.6 C=CCC1CC(=O)N1 Amb24453069 [0,1,0,1,0,0|2,0,0]=4 5281 B8R1.6 C=CC[C@@H]1CC(=O)N1 Amb25107896 [0,1,0,1,0,0|2,0,0]=4 5282 B8R1.6 C\C=C\C1CC(=O)N1 Amb24573008 [0,1,0,1,0,0|2,0,0]=4 5283 B8R1.6 O=C1CC(\C=C\Br)N1 Amb24678828 [0,1,0,1,0,0|2,0,0]=4 5284 B8R1.6 O=CCC1CC(=O)N1 Amb24376079 [0,1,0,1,0,0|1,0,0]=3 5285 B8R1.6 OC1CC(C1)NC=O Amb25347711 [0,1,0,1,0,0|1,0,1]=4 5286 B8R1.7 CC(=O)C1CCC=C1 Amb25373909 [0,1,0,1,0,0|2,0,0]=4 5287 B8R1.7 CC(=O)C1CCC=N1 Amb22496787 [0,1,0,1,0,0|2,0,0]=4 5288 B8R1.7 CC(=O)C1N=CCS1 Amb25066996 [0,1,0,1,0,0|2,0,0]=4 5289 B8R1.7 NC(=O)C1CC=CC1 Amb10068010 [0,1,0,1,0,0|2,0,0]=4 5290 B8R1.7 NC(=O)C1CC=CO1 Amb24334594 [0,1,0,1,0,0|1,0,1]=4 5291 B8R1.7 NC(=O)C1CC=NN1 Amb24482182 [0,1,0,1,0,0|2,0,0]=4 5292 B8R1.7 NC(=O)C1CCC=C1 Amb25063981 [0,1,0,1,0,0|2,0,0]=4 5293 B8R1.7 NC(=O)[C@@H]1C=CCN1 Amb22801274 [0,1,0,1,0,0|2,0,0]=4 5294 B8R1.7 NC(=O)[C@@H]1CC=NN1 Amb25201424 [0,1,0,1,0,0|2,0,0]=4 5295 B8R1.7 NC(=O)[C@H]1C=CCN1 Amb24386015 [0,1,0,1,0,0|2,0,0]=4 5296 B8R1.7 O=C(Cl)C1CC=CC1 Amb24371090 [0,1,0,1,0,0|2,0,0]=4 5297 B8R1.7 OC(=O)C1=CC=CC1 Amb10574923 [0,1,0,1,0,0|1,0,1]=4 5298 B8R1.7 OC(=O)C1C=CCN1 Amb22899488 [0,1,0,1,0,0|1,0,0]=3 5299 B8R1.7 OC(=O)C1C=CCO1 Amb18641762 [0,1,0,1,0,0|1,0,0]=3 5300 B8R1.7 OC(=O)C1C=CCS1 Amb18642794 [0,1,0,1,0,0|1,0,0]=3 5301 B8R1.7 OC(=O)C1CC=NN1 Amb18641765 [0,1,0,1,0,0|1,0,0]=3 5302 B8R1.7 OC(=O)C1CCC=C1 Amb18641680 [0,1,0,1,0,0|1,0,0]=3 5303 B8R1.7 OC(=O)C1CCCN1 Amb22040086 [0,1,0,1,0,0|1,0,1]=4 5304 B8R1.7 OC(=O)C1CCCN1 Amb2542766 [0,1,0,1,0,0|1,0,1]=4 5305 B8R1.7 OC(=O)C1CCCS1 Amb18124363 [0,1,0,1,0,0|0,1,1]=4 5306 B8R1.7 OC(=O)C1CCNN1 Amb18641878 [0,1,0,1,0,0|1,0,1]=4 5307 B8R1.7 OC(=O)C1CCON1 Amb24351403 [0,1,0,1,0,0|0,0,2]=4 5308 B8R1.7 OC(=O)C1CN=CS1 Amb25829554 [0,1,0,1,0,0|0,1,0]=3 5309 B8R1.7 OC(=O)C1CNC=N1 Amb25247319 [0,1,0,1,0,0|1,0,0]=3 5310 B8R1.7 OC(=O)C1CNCC1 Amb16230724 [0,1,0,1,0,0|1,0,1]=4 5311 B8R1.7 OC(=O)C1CNCC1 Amb16233446 [0,1,0,1,0,0|1,0,1]=4 5312 B8R1.7 OC(=O)C1CNCO1 Amb24359881 [0,1,0,1,0,0|0,0,2]=4 5313 B8R1.7 OC(=O)C1CNOC1 Amb24560626 [0,1,0,1,0,0|1,0,1]=4 5314 B8R1.7 OC(=O)C1CSC=C1 Amb18642796 [0,1,0,1,0,0|1,0,0]=3 5315 B8R1.7 OC(=O)C1CSCC1 Amb18124360 [0,1,0,1,0,0|0,1,1]=4 5316 B8R1.7 OC(=O)C1CSCN1 Amb2549799 [0,1,0,1,0,0|1,0,1]=4 5317 B8R1.7 OC(=O)C1CSSC1 Amb17593735 [0,1,0,1,0,0|1,1,0]=4 5318 B8R1.7 OC(=O)C1C[13CH2]CN1 Amb22367338 [0,1,0,1,0,0|1,0,1]=4 5319 B8R1.7 OC(=O)C1NCCO1 Amb24760849 [0,1,0,1,0,0|0,0,2]=4 5320 B8R1.7 OC(=O)C1NCCS1 Amb2444644 [0,1,0,1,0,0|0,1,1]=4 5321 B8R1.7 OC(=O)C1OCCO1 Amb24349582 [0,1,0,1,0,0|0,0,2]=4 5322 B8R1.7 OC(=O)C1SCCS1 Amb20669087 [0,1,0,1,0,0|0,1,1]=4 5323 B8R1.7 OC(=O)C=1C=CCN1 Amb25178644 [0,1,0,1,0,0|1,0,1]=4 5324 B8R1.7 OC(=O)C=1CC=CC1 Amb24553923 [0,1,0,1,0,0|1,0,1]=4 5325 B8R1.7 OC(=O)C=1CC=NN1 Amb22235538 [0,1,0,1,0,0|1,0,1]=4 5326 B8R1.7 OC(=O)C=1CCCN1 Amb18641721 [0,1,0,1,0,0|1,0,1]=4 5327 B8R1.7 OC(=O)C=1CCOC1 Amb18124248 [0,1,0,1,0,0|2,0,0]=4 5328 B8R1.7 OC(=O)C=1CCON1 Amb24353499 [0,1,0,1,0,0|2,0,0]=4 5329 B8R1.7 OC(=O)C=1CN=CN1 Amb22229764 [0,1,0,1,0,0|1,0,1]=4 5330 B8R1.7 OC(=O)[C@@H]1C=CCN1 Amb22750611 [0,1,0,1,0,0|1,0,0]=3 5331 B8R1.7 OC(=O)[C@@H]1CCC=N1 Amb25075457 [0,1,0,1,0,0|1,0,0]=3 5332 B8R1.7 OC(=O)[C@@H]1COCC1 Amb22226787 [0,1,0,1,0,0|0,0,2]=4 5333 B8R1.7 OC(=O)[C@@H]1COCN1 Amb19515958 [0,1,0,1,0,0|1,0,1]=4 5334 B8R1.7 OC(=O)[C@@H]1NCCS1 Amb24383041 [0,1,0,1,0,0|0,1,1]=4 5335 B8R1.7 OC(=O)[C@H]1C=CCN1 Amb19515991 [0,1,0,1,0,0|1,0,0]=3 5336 B8R1.7 OC(=O)[C@H]1CCC=C1 Amb25304679 [0,1,0,1,0,0|1,0,0]=3 5337 B8R1.7 OC(=O)[C@H]1CCCS1 Amb24481353 [0,1,0,1,0,0|0,1,1]=4 5338 B8R1.7 OC(=O)[C@H]1CCSS1 Amb24738509 [0,1,0,1,0,0|0,1,1]=4 5339 B8R1.7 OC(=O)[C@H]1COCC1 Amb10603235 [0,1,0,1,0,0|0,0,2]=4 5340 B8R1.7 OC(=O)[C@H]1COCN1 Amb25733088 [0,1,0,1,0,0|1,0,1]=4 5341 B8R1.7 OC(=O)[C@H]1NCC=C1 Amb16183937 [0,1,0,1,0,0|1,0,0]=3 5342 B8R1.7 O[13C](=O)C1CCCN1 Amb22367492 [0,1,0,1,0,0|1,0,1]=4 5343 B8R1.7 O[13C](=O)[13C@@H]1[13CH2][13CH2][13CH2][15NH]1 Amb19133705 [0,1,0,1,0,0|1,0,1]=4 5344 B8R1.7 O[13C](=O)[C@@H]1CCCN1 Amb22336891 [0,1,0,1,0,0|1,0,1]=4 5345 B8R1.19 CC1(O)COCC1=O Amb24582470 [0,1,0,1,0,0|1,0,1]=4 5346 B8R1.19 CC1(O)OCCC1=O Amb25358718 [0,1,0,1,0,0|1,0,1]=4 5347 B8R1.19 C[C@@]1(O)OCCC1=O Amb25810093 [0,1,0,1,0,0|1,0,1]=4 5348 B8R1.19 O=C1NCCS1(=O)=O Amb24746629 [0,1,0,1,0,0|1,0,1]=4 5349 B8R1.27 CC1(C)O[C@H]1CC=O Amb24481537 [0,1,0,1,0,0|1,0,1]=4 5350 B8R1.35 OC(=O)CC=C1CC1 Amb25119812 [0,1,0,1,0,0|1,0,1]=4 5351 B8R1.23 C=C1CC(C1)C(N)=O Amb22896664 [0,1,0,1,0,0|2,0,0]=4 5352 B8R1.23 CC(=C)C1CC(=O)C1 Amb25373403 [0,1,0,1,0,0|2,0,0]=4 5353 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,1,0,1,0,0|1,0,1]=4 5354 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,1,0,1,0,0|2,0,0]=4 5355 B8R1.23 CC(O)C1CC(=O)O1 Amb25317296 [0,1,0,1,0,0|0,0,2]=4 5356 B8R1.23 CC1CC(C1)C(O)=O Amb19515989 [0,1,0,1,0,0|1,0,1]=4 5357 B8R1.23 CC=1CC(C1)C(C)=O Amb24676939 [0,1,0,1,0,0|2,0,0]=4 5358 B8R1.23 CN1CC(C1)C(O)=O Amb19958116 [0,1,0,1,0,0|2,0,0]=4 5359 B8R1.23 C[C@@H]1C[C@@H](C1)C(O)=O Amb22746374 [0,1,0,1,0,0|1,0,1]=4 5360 B8R1.23 C[C@@H]1C[C@H](C1)C(O)=O Amb22746375 [0,1,0,1,0,0|1,0,1]=4 5361 B8R1.23 C[C@H](O)[C@@H]1CC(=O)O1 Amb24515159 [0,1,0,1,0,0|0,0,2]=4 5362 B8R1.23 C[C@H]1C[C@H](N1)C(O)=O Amb24514390 [0,1,0,1,0,0|1,0,1]=4 5363 B8R1.23 ClC(=O)C1CC(=C)C1 Amb10071441 [0,1,0,1,0,0|2,0,0]=4 5364 B8R1.23 ClC1CC(C1)C(=O)O Amb16233600 [0,1,0,1,0,0|1,0,1]=4 5365 B8R1.23 NC(=O)C1CC(=O)C1 Amb22896730 [0,1,0,1,0,0|1,0,0]=3 5366 B8R1.23 NC(=O)C1CC(O)C1 Amb23570502 [0,1,0,1,0,0|1,0,1]=4 5367 B8R1.23 NC1CC(C1)C(=O)O Amb10610660 [0,1,0,1,0,0|1,0,1]=4 5368 B8R1.23 NC1CC(C1)C(O)=O Amb21963541 [0,1,0,1,0,0|1,0,1]=4 5369 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O Amb10604131 [0,1,0,1,0,0|1,0,1]=4 5370 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O Amb10604102 [0,1,0,1,0,0|1,0,1]=4 5371 B8R1.23 N[C@@H]1C[C@H](C1)C(O)=O Amb19514893 [0,1,0,1,0,0|1,0,1]=4 5372 B8R1.23 O=C1CC(C1)C(=O)Cl Amb16230813 [0,1,0,1,0,0|1,0,0]=3 5373 B8R1.23 O=C1CC(C1)C(=O)O Amb1106387 [0,1,0,1,0,0|0,0,0]=2 5374 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [0,1,0,1,0,0|0,0,0]=2 5375 B8R1.23 O=C1CC(N1)S(=O)Cl Amb25835668 [0,1,0,1,0,0|2,0,0]=4 5376 B8R1.23 O=C1C[C@@H](O1)C(Cl)Cl Amb25108146 [0,1,0,1,0,0|1,0,1]=4 5377 B8R1.23 OC(=O)C1CC(F)C1 Amb20621267 [0,1,0,1,0,0|1,0,1]=4 5378 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [0,1,0,1,0,0|0,0,0]=2 5379 B8R1.23 OC(=O)[C@@H]1C[C@@H](Br)C1 Amb24339433 [0,1,0,1,0,0|1,0,1]=4 5380 B8R1.23 OC(=O)[C@H]1CC(=O)O1 Amb25705638 [0,1,0,1,0,0|0,0,0]=2 5381 B8R1.23 OC1CC(C1)C(=O)Cl Amb24661280 [0,1,0,1,0,0|1,0,1]=4 5382 B8R1.23 O[C@@H]1C[C@H](C1)C(O)=O Amb19516178 [0,1,0,1,0,0|0,0,2]=4 5383 B8R1.23 O[C@H]1C[C@H](C1)C(O)=O Amb19516179 [0,1,0,1,0,0|0,0,2]=4 5384 B8R1.30 C=C1CC1(N)C(N)=O Amb25239007 [0,1,0,1,0,0|2,0,0]=4 5385 B8R1.30 C=C1CC1(N)C(O)=O Amb22274582 [0,1,0,1,0,0|1,0,0]=3 5386 B8R1.30 CC1(CC1F)C(O)=O Amb24445672 [0,1,0,1,0,0|1,0,1]=4 5387 B8R1.30 CC1CC1(Cl)C(O)=O Amb25376529 [0,1,0,1,0,0|1,0,1]=4 5388 B8R1.30 CC1CC1(O)C(O)=O Amb24481340 [0,1,0,1,0,0|1,0,1]=4 5389 B8R1.30 C[C@@H]1C[C@@]1(C)C(O)=O Amb24680945 [0,1,0,1,0,0|1,0,1]=4 5390 B8R1.30 C[C@@H]1C[C@@]1(N)C(O)=O Amb23452877 [0,1,0,1,0,0|1,0,1]=4 5391 B8R1.30 C[C@@H]1C[C@]1(N)C(O)=O Amb23452872 [0,1,0,1,0,0|1,0,1]=4 5392 B8R1.30 C[C@@H]1C[C@]1(O)C(O)=O Amb24630291 [0,1,0,1,0,0|1,0,1]=4 5393 B8R1.30 C[C@@]1(C[C@H]1Cl)C(O)=O Amb25025974 [0,1,0,1,0,0|1,0,1]=4 5394 B8R1.30 C[C@H]1CC1(N)C(O)=O Amb25064269 [0,1,0,1,0,0|1,0,1]=4 5395 B8R1.30 C[C@H]1C[C@@]1(O)C(O)=O Amb25174792 [0,1,0,1,0,0|1,0,1]=4 5396 B8R1.30 C[C@]1(C[C@@H]1F)C(O)=O Amb24053139 [0,1,0,1,0,0|1,0,1]=4 5397 B8R1.30 N[C@@]1(C[C@H]1Cl)C(O)=O Amb22748908 [0,1,0,1,0,0|1,0,1]=4 5398 B8R1.30 N[C@]1(C[C@@H]1Cl)C(O)=O Amb25245700 [0,1,0,1,0,0|1,0,1]=4 5399 B8R1.30 N[C@]1(C[C@H]1Br)C(O)=O Amb24567904 [0,1,0,1,0,0|1,0,1]=4 5400 B8R1.54 CC(C(=O)O)C1CC1 Amb17087493 [0,1,0,1,0,0|1,0,1]=4 5401 B8R1.54 NC(C1CC1)C(O)=O Amb19515010 [0,1,0,1,0,0|1,0,1]=4 5402 B8R1.54 N[C@@H](C1CC1)C(O)=O Amb19929447 [0,1,0,1,0,0|1,0,1]=4 5403 B8R1.54 OC(=O)C(Br)C1CC1 Amb24634830 [0,1,0,1,0,0|1,0,1]=4 5404 B8R1.54 OC(=O)C(Cl)C1CC1 Amb24333436 [0,1,0,1,0,0|1,0,1]=4 5405 B8R1.54 OC(C1CC1)C(O)=O Amb18282441 [0,1,0,1,0,0|1,0,1]=4 5406 B8R1.54 O[C@@H](C1CC1)C(O)=O Amb25312037 [0,1,0,1,0,0|1,0,1]=4 5407 B8R1.54 O[C@H](C1CC1)C(O)=O Amb25715899 [0,1,0,1,0,0|1,0,1]=4 5408 B8R1.78 CC1(CCN1)C(O)=O Amb24483061 [0,1,0,1,0,0|1,0,1]=4 5409 B8R1.78 CC1(CCO1)C(O)=O Amb22001906 [0,1,0,1,0,0|0,0,2]=4 5410 B8R1.78 CC1(CNC1)C(O)=O Amb24077476 [0,1,0,1,0,0|2,0,0]=4 5411 B8R1.78 CC1(CNC1)C(O)=O Amb24561978 [0,1,0,1,0,0|2,0,0]=4 5412 B8R1.78 CC1(CSC1)C(O)=O Amb21960451 [0,1,0,1,0,0|2,0,0]=4 5413 B8R1.78 C[C@]1(CCN1)C(O)=O Amb25726906 [0,1,0,1,0,0|1,0,1]=4 5414 B8R1.78 NC1(CNC1)C(O)=O Amb19895006 [0,1,0,1,0,0|2,0,0]=4 5415 B8R1.78 NC1(CNC1)C(O)=O Amb21960937 [0,1,0,1,0,0|2,0,0]=4 5416 B8R1.78 NC1(COC1)C(O)=O Amb18199133 [0,1,0,1,0,0|2,0,0]=4 5417 B8R1.78 NC1(CSC1)C(O)=O Amb21927718 [0,1,0,1,0,0|2,0,0]=4 5418 B8R1.78 OC(=O)C1(C)CCC1 Amb10843968 [0,1,0,1,0,0|1,0,1]=4 5419 B8R1.78 OC(=O)C1(C)COC1 Amb13883560 [0,1,0,1,0,0|2,0,0]=4 5420 B8R1.78 OC(=O)C1(Cl)CCC1 Amb24422884 [0,1,0,1,0,0|1,0,1]=4 5421 B8R1.78 OC(=O)C1(F)CCC1 Amb22886536 [0,1,0,1,0,0|1,0,1]=4 5422 B8R1.78 OC(=O)C1(F)CNC1 Amb23440120 [0,1,0,1,0,0|2,0,0]=4 5423 B8R1.78 OC(=O)C1(F)COC1 Amb24541298 [0,1,0,1,0,0|2,0,0]=4 5424 B8R1.78 OC(=O)C1(O)CNC1 Amb24122891 [0,1,0,1,0,0|2,0,0]=4 5425 B8R1.78 OC(=O)C1(O)COC1 Amb25714262 [0,1,0,1,0,0|2,0,0]=4 5426 B8R1.78 OC(=O)C1(O)CSC1 Amb25259612 [0,1,0,1,0,0|2,0,0]=4 5427 B8R1.80 OC1OC1(O)CC=O Amb25277148 [0,1,0,1,0,0|0,0,2]=4 5428 B8R1.77 CC1(Cl)CC1C(O)=O Amb24629731 [0,1,0,1,0,0|1,0,1]=4 5429 B8R1.77 OC(=O)C1CC1(Br)Br Amb24651946 [0,1,0,1,0,0|1,0,1]=4 5430 B8R1.77 OC(=O)C1CC1(Cl)Cl Amb1106460 [0,1,0,1,0,0|1,0,1]=4 5431 B8R1.77 OC(=O)C1CC1(F)Cl Amb10841879 [0,1,0,1,0,0|1,0,1]=4 5432 B8R2.18 O=C1CC2OC2C1 Amb25050255 [0,0,0,2,0,0|1,0,1]=4 5433 B8R2.18 O=C1C[C@@H]2O[C@@H]2C1 Amb25768575 [0,0,0,2,0,0|1,0,1]=4 5434 B8R2.38 O=C1CC[C@@H]2O[C@H]12 Amb25025235 [0,0,0,2,0,0|1,0,1]=4 5435 B8R2.38 O=C1OCC2CC12 Amb24113373 [0,0,0,2,0,0|1,0,1]=4 5436 B8R2.5 O=C1N[C@@H]2C=C[C@H]12 Amb25174979 [0,0,0,2,0,0|2,0,0]=4 5437 B8R2.5 O=C1OC2C=CC12 Amb24751511 [0,0,0,2,0,0|1,0,0]=3 5438 B8R2.66 OC(=O)C12CC1C2 Amb24732235 [0,0,0,2,0,0|1,0,1]=4