0 B6R0.4 C#CCCC(=C)C Amb18634222 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C#CCCC(=O)Cl Amb26949181 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C#CCCC(=O)O Amb33532622 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 C#CCCC(C)=O Amb8869638 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 C#CCCC(C)O Amb27175253 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C#CCNC(=O)Br Amb27792816 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 C#CCNC(=O)I Amb27838254 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C#CCNC(C)=O Amb20623038 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 C#CCNC(N)=O Amb2724225 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C#CCOC(=O)Cl Amb13777322 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 C#CCOC(C)=O Amb8517415 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 C#CCOC(N)=O Amb26654642 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 C#CCSC(C)=O Amb32683409 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [0,0,0,0,0,0|1,0,3]=4 15 B6R0.4 C=C(Br)CCCCl Amb28320778 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 C=C(Br)CCCN Amb27219336 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 C=C(Br)CCCO Amb27471781 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.4 C=C(C)C#CC=O Amb28050124 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.4 C=C(C)CCC#N Amb2778548 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 C=C(C)CCCBr Amb22886717 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.4 C=C(C)CCCC Amb2721685 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.4 C=C(C)CCCCl Amb24089299 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.4 C=C(C)CCCN Amb24761452 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 C=C(C)CCCN Amb33534233 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 C=C(C)CCCO Amb22886814 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.4 C=C(C)CCCS Amb33198962 [0,0,0,0,0,0|2,1,1]=4 27 B6R0.4 C=C(C)CCNC Amb18993045 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 C=C(C)CCOC Amb33546340 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.4 C=C(C)CCON Amb25862621 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.4 C=C(C)CCSC Amb28400079 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 C=C(C)CN=C=O Amb26456601 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 C=C(Cl)C#CC=O Amb28050093 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.4 C=C(Cl)CCCBr Amb25811643 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.4 C=C(Cl)CCCCl Amb24635037 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.4 C=C(Cl)CCCN Amb27413032 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.4 C=C(Cl)CCCO Amb28065233 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.4 C=C(F)CCCO Amb25811029 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.4 C=C(I)CCCCl Amb27239930 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.4 C=C=CCC(=O)O Amb26657414 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.4 C=CCCB(O)O Amb10067042 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.4 C=CCCC(=C)C Amb22228883 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 C=CCCC(=N)N Amb25326954 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.4 C=CCCC(=O)Cl Amb3939003 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.4 C=CCCC(=O)O Amb3940112 [0,0,0,0,0,0|1,0,0]=1 46 B6R0.4 C=CCCC(C)=O Amb2721704 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.4 C=CCCC(C)Br Amb20669632 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.4 C=CCCC(C)N Amb18121283 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 C=CCCC(C)N Amb35751395 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 C=CCCC(C)O Amb22059013 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.4 C=CCCC(C)O Amb34915890 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.4 C=CCCC(C)S Amb17939255 [0,0,0,0,0,0|2,1,1]=4 53 B6R0.4 C=CCCC(N)=O Amb28136349 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.4 C=CCCN(C)C Amb27838193 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.4 C=CCCS(=O)[O-] Amb25680826 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.4 C=CCC[C@@H](C)O Amb19929324 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.4 C=CCC[C@H](C)O Amb22226511 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.4 C=CCNC(=N)N Amb25043202 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.4 C=CCNC(C)=N Amb24618156 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.4 C=CCNC(C)=O Amb5797445 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 C=CCNC(N)=O Amb6599864 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.4 C=CCNC(N)=S Amb6599883 [0,0,0,0,0,0|3,1,0]=4 63 B6R0.4 C=CCOC(=O)Cl Amb6600570 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 C=CCOC(N)=O Amb4017585 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 C=CCOC(N)=S Amb24480391 [0,0,0,0,0,0|3,1,0]=4 66 B6R0.4 C=CCO[N+](=O)[O-] Amb26512032 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.4 C=CCSC(=N)N Amb17835909 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.4 C=CCSC(N)=[NH2+] Amb31291649 [0,0,0,0,0,0|4,0,0]=4 69 B6R0.4 C=CC[S+]=C(N)N Amb28066540 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.4 C=CNCC(=O)O Amb28346027 [0,0,0,0,0,0|2,0,0]=2 71 B6R0.4 C=COCC(=C)C Amb26873422 [0,0,0,0,0,0|4,0,0]=4 72 B6R0.4 C=COCC(=O)O Amb27247261 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.4 C=COCC(C)=O Amb27838258 [0,0,0,0,0,0|3,0,0]=3 74 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.4 C=C\C=C\C(=O)Cl Amb26530329 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.4 CC#CCC(=O)O Amb17939740 [0,0,0,0,0,0|1,0,2]=3 77 B6R0.4 CC#CCC(C)=O Amb27648528 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.4 CC(=O)CC#CO Amb27463647 [0,0,0,0,0,0|1,0,3]=4 79 B6R0.4 CC(=O)CCC#N Amb17334046 [0,0,0,0,0,0|2,0,1]=3 80 B6R0.4 CC(=O)CCC=O Amb18639597 [0,0,0,0,0,0|1,0,0]=1 81 B6R0.4 CC(=O)CCCBr Amb8394105 [0,0,0,0,0,0|2,0,1]=3 82 B6R0.4 CC(=O)CCCCl Amb3940272 [0,0,0,0,0,0|2,0,1]=3 83 B6R0.4 CC(=O)CCCF Amb25068187 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.4 CC(=O)CCCN Amb18121547 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.4 CC(=O)CCCN Amb32661221 [0,0,0,0,0,0|2,0,1]=3 86 B6R0.4 CC(=O)CCCN Amb32661286 [0,0,0,0,0,0|2,0,1]=3 87 B6R0.4 CC(=O)CCCO Amb3940340 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.4 CC(=O)CN=C=S Amb27490781 [0,0,0,0,0,0|2,1,1]=4 89 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.4 CC(=O)CSC#N Amb9788383 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.4 CC(=O)C\C=N\O Amb27750272 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.4 CC(=O)NCC#N Amb3886527 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.4 CC(=O)NCC=O Amb25757509 [0,0,0,0,0,0|2,0,0]=2 94 B6R0.4 CC(=O)NCCBr Amb4311522 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.4 CC(=O)NCCCl Amb423758 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.4 CC(=O)NCCN Amb1218225 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.4 CC(=O)NCCO Amb2720909 [0,0,0,0,0,0|2,0,2]=4 98 B6R0.4 CC(=O)NCCS Amb22230992 [0,0,0,0,0,0|2,1,1]=4 99 B6R0.4 CC(=O)N\C=C/S Amb27246451 [0,0,0,0,0,0|2,1,1]=4 100 B6R0.4 CC(=O)N\C=C\Cl Amb28132682 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.4 CC(=O)OCC#N Amb9677308 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.4 CC(=O)OCCBr Amb3940209 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.4 CC(=O)OCCN Amb18121947 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.4 CC(=O)OCCN Amb28827650 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.4 CC(=O)OCCO Amb3941004 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.4 CC(=O)O\C=C/Br Amb27484017 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.4 CC(=O)SCC=O Amb27873378 [0,0,0,0,0,0|2,0,0]=2 108 B6R0.4 CC(=O)SCCBr Amb24608039 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.4 CC(=O)SCCN Amb21953963 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 CC(=O)SCCN Amb22011516 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.4 CC(=O)SCCN Amb31291049 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.4 CC(=O)SCCO Amb27481182 [0,0,0,0,0,0|2,0,2]=4 113 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [0,0,0,0,0,0|1,0,2]=3 114 B6R0.4 CC(C)=CCC=O Amb18120881 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.4 CC(C)=CNC=O Amb27973472 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.4 CC(C)=NNC=O Amb2419224 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.4 CC(C)CCC=O Amb17673735 [0,0,0,0,0,0|2,0,1]=3 118 B6R0.4 CC(C)COC=O Amb8513682 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.4 CC(C)OCC=O Amb25820659 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.4 CC(C)SCC=O Amb24479811 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.4 CC(Cl)CCC=O Amb18124284 [0,0,0,0,0,0|2,0,1]=3 122 B6R0.4 CC(O)CCC#N Amb27974459 [0,0,0,0,0,0|2,0,2]=4 123 B6R0.4 CC(O)CCC=O Amb17593090 [0,0,0,0,0,0|1,0,1]=2 124 B6R0.4 CC(O)CCCBr Amb25889007 [0,0,0,0,0,0|2,0,2]=4 125 B6R0.4 CC(O)CCCCl Amb22270232 [0,0,0,0,0,0|2,0,2]=4 126 B6R0.4 CC(O)CCCF Amb24385806 [0,0,0,0,0,0|2,0,2]=4 127 B6R0.4 CC(O)CCCN Amb8630414 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.4 CC(O)CCCO Amb22227752 [0,0,0,0,0,0|1,0,3]=4 129 B6R0.4 CC(O)COC=O Amb27436963 [0,0,0,0,0,0|2,0,1]=3 130 B6R0.4 CC(O)C\C=C\Br Amb27216240 [0,0,0,0,0,0|2,0,2]=4 131 B6R0.4 CC(O)C\C=C\Cl Amb24479438 [0,0,0,0,0,0|2,0,2]=4 132 B6R0.4 CC(O)\C=C\C=O Amb18639615 [0,0,0,0,0,0|1,0,3]=4 133 B6R0.4 CC=C=CC(=O)O Amb17593065 [0,0,0,0,0,0|1,0,2]=3 134 B6R0.4 CC=C=C[PH](=O)O Amb27430355 [0,0,0,0,0,0|2,0,2]=4 135 B6R0.4 CCC#CC(=O)O Amb6336503 [0,0,0,0,0,0|1,0,3]=4 136 B6R0.4 CCCCB(O)O Amb2447142 [0,0,0,0,0,0|2,0,2]=4 137 B6R0.4 CCCCC(=N)N Amb10066937 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.4 CCCCC(=N)N Amb2696360 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.4 CCCCC(=O)Cl Amb3939066 [0,0,0,0,0,0|2,0,1]=3 140 B6R0.4 CCCCC(=O)O Amb3939877 [0,0,0,0,0,0|1,0,1]=2 141 B6R0.4 CCCCC(=O)[O-] Amb22056343 [0,0,0,0,0,0|1,0,2]=3 142 B6R0.4 CCCCC(=S)S Amb27195855 [0,0,0,0,0,0|1,2,1]=4 143 B6R0.4 CCCCC(C)=O Amb6608652 [0,0,0,0,0,0|2,0,1]=3 144 B6R0.4 CCCCC(C)O Amb4605977 [0,0,0,0,0,0|2,0,2]=4 145 B6R0.4 CCCCC(N)=O Amb6891958 [0,0,0,0,0,0|2,0,1]=3 146 B6R0.4 CCCCC(N)=S Amb6249558 [0,0,0,0,0,0|2,1,1]=4 147 B6R0.4 CCCCN(C)O Amb33204268 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.4 CCCCS(=O)Cl Amb24551332 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.4 CCCCS(=O)[O-] Amb19889352 [0,0,0,0,0,0|2,0,2]=4 150 B6R0.4 CCCCS(N)=O Amb32720302 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.4 CCCC[C@@H](C)O Amb19929139 [0,0,0,0,0,0|2,0,2]=4 152 B6R0.4 CCCC[C@H](C)O Amb8515092 [0,0,0,0,0,0|2,0,2]=4 153 B6R0.4 CCCC[N+](=O)[O-] Amb6298783 [0,0,0,0,0,0|2,0,2]=4 154 B6R0.4 CCCC[PH](=O)O Amb8391286 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.4 CCCNC(=O)Cl Amb25688616 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.4 CCCNC(C)=O Amb5835710 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.4 CCCNC(N)=O Amb1152241 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.4 CCCOC(=O)Cl Amb10604123 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.4 CCCOC(=O)F Amb32667886 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.4 CCCOC(N)=O Amb6334809 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.4 CCCSC(C)=O Amb22043301 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.4 CCCSC(N)=O Amb27167907 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.4 CCNCC(=O)Cl Amb27948279 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 CCNCC(=O)O Amb10609667 [0,0,0,0,0,0|2,0,1]=3 165 B6R0.4 CCNCC(=O)O Amb7764661 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.4 CCNCC(C)=O Amb24545893 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.4 CCNCC(C)=O Amb32661185 [0,0,0,0,0,0|3,0,1]=4 168 B6R0.4 CCNCC(N)=O Amb1128676 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.4 CCNCC(N)=O Amb4035424 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.4 CCOCC(=O)Cl Amb33528415 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.4 CCOCC(=O)O Amb3939880 [0,0,0,0,0,0|2,0,1]=3 172 B6R0.4 CCOCC(=O)S Amb27813482 [0,0,0,0,0,0|2,1,1]=4 173 B6R0.4 CCOCC(C)=O Amb9666086 [0,0,0,0,0,0|3,0,1]=4 174 B6R0.4 CCPCC(=O)O Amb28321137 [0,0,0,0,0,0|2,0,1]=3 175 B6R0.4 CCSCC(=O)O Amb1125185 [0,0,0,0,0,0|2,0,1]=3 176 B6R0.4 CCSCC(C)=O Amb4018179 [0,0,0,0,0,0|3,0,1]=4 177 B6R0.4 CC\C=C/C(=O)O Amb28429841 [0,0,0,0,0,0|1,0,3]=4 178 B6R0.4 CC\C=C\C(=O)O Amb6608967 [0,0,0,0,0,0|1,0,3]=4 179 B6R0.4 CC\N=C\C(=O)O Amb28041425 [0,0,0,0,0,0|2,0,2]=4 180 B6R0.4 CN(C)CCC=O Amb22001057 [0,0,0,0,0,0|3,0,0]=3 181 B6R0.4 CN(C)CNC=O Amb27216675 [0,0,0,0,0,0|4,0,0]=4 182 B6R0.4 CN(O)CCCF Amb33480871 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.4 CNCCC(=O)Cl Amb27422890 [0,0,0,0,0,0|3,0,0]=3 184 B6R0.4 CNCCC(=O)O Amb10609760 [0,0,0,0,0,0|2,0,0]=2 185 B6R0.4 CNCCC(=O)O Amb7766400 [0,0,0,0,0,0|2,0,0]=2 186 B6R0.4 CNCCC(C)=O Amb24560306 [0,0,0,0,0,0|3,0,0]=3 187 B6R0.4 CNCCC(C)=O Amb28827637 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.4 CNCCC(C)O Amb17569889 [0,0,0,0,0,0|3,0,1]=4 189 B6R0.4 CNCCC(C)O Amb34141241 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.4 CNCCC(N)=O Amb19959913 [0,0,0,0,0,0|3,0,0]=3 191 B6R0.4 CNCCC(N)=O Amb33538309 [0,0,0,0,0,0|3,0,0]=3 192 B6R0.4 CNCCN(C)O Amb27628863 [0,0,0,0,0,0|4,0,0]=4 193 B6R0.4 CNCCS(C)=O Amb21984676 [0,0,0,0,0,0|4,0,0]=4 194 B6R0.4 CNCC[C@H](C)O Amb27801301 [0,0,0,0,0,0|3,0,1]=4 195 B6R0.4 CNCC[N+](=O)[O-] Amb35704404 [0,0,0,0,0,0|3,0,1]=4 196 B6R0.4 COCCB(O)O Amb27173037 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.4 COCCC(=N)N Amb2696283 [0,0,0,0,0,0|4,0,0]=4 198 B6R0.4 COCCC(=N)N Amb8630184 [0,0,0,0,0,0|4,0,0]=4 199 B6R0.4 COCCC(=O)Cl Amb2689274 [0,0,0,0,0,0|3,0,0]=3 200 B6R0.4 COCCC(=O)O Amb3938990 [0,0,0,0,0,0|2,0,0]=2 201 B6R0.4 COCCC(C)=O Amb7764907 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.4 COCCC(C)O Amb20621489 [0,0,0,0,0,0|3,0,1]=4 203 B6R0.4 COCCC(N)=O Amb33538943 [0,0,0,0,0,0|3,0,0]=3 204 B6R0.4 COCCC(N)=S Amb6250669 [0,0,0,0,0,0|3,1,0]=4 205 B6R0.4 COCCC(O)Br Amb20242943 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.4 COCCC(O)O Amb28410462 [0,0,0,0,0,0|2,0,2]=4 207 B6R0.4 COCCN(C)O Amb33428857 [0,0,0,0,0,0|4,0,0]=4 208 B6R0.4 COCCS(=O)Cl Amb25914790 [0,0,0,0,0,0|4,0,0]=4 209 B6R0.4 COCCS(=O)[O-] Amb26874008 [0,0,0,0,0,0|3,0,1]=4 210 B6R0.4 COCCS(N)=O Amb32720336 [0,0,0,0,0,0|4,0,0]=4 211 B6R0.4 COCC[C@@H](C)O Amb27237141 [0,0,0,0,0,0|3,0,1]=4 212 B6R0.4 COCC[C@H](C)O Amb26559043 [0,0,0,0,0,0|3,0,1]=4 213 B6R0.4 COCNC(N)=O Amb25744350 [0,0,0,0,0,0|4,0,0]=4 214 B6R0.4 CONCC(N)=O Amb28455463 [0,0,0,0,0,0|4,0,0]=4 215 B6R0.4 CO\C=C\C(=O)O Amb18121767 [0,0,0,0,0,0|2,0,2]=4 216 B6R0.4 CO\N=C\C(=O)O Amb10976081 [0,0,0,0,0,0|3,0,1]=4 217 B6R0.4 CS(=O)CCCN Amb18974527 [0,0,0,0,0,0|3,0,1]=4 218 B6R0.4 CS(=O)CCCN Amb32684177 [0,0,0,0,0,0|3,0,1]=4 219 B6R0.4 CSC#CC(=O)O Amb33309663 [0,0,0,0,0,0|2,0,2]=4 220 B6R0.4 CSCCC(=N)N Amb19373501 [0,0,0,0,0,0|4,0,0]=4 221 B6R0.4 CSCCC(=N)N Amb19516878 [0,0,0,0,0,0|4,0,0]=4 222 B6R0.4 CSCCC(=O)O Amb3939879 [0,0,0,0,0,0|2,0,0]=2 223 B6R0.4 CSCCC(C)=O Amb8392858 [0,0,0,0,0,0|3,0,0]=3 224 B6R0.4 CSCCC(C)O Amb27860401 [0,0,0,0,0,0|3,0,1]=4 225 B6R0.4 CSCCC(N)=S Amb17307559 [0,0,0,0,0,0|3,1,0]=4 226 B6R0.4 CSCCN(=O)=O Amb24179458 [0,0,0,0,0,0|3,0,1]=4 227 B6R0.4 CSCCN(C)O Amb33272058 [0,0,0,0,0,0|4,0,0]=4 228 B6R0.4 CSCC[C@@H](C)O Amb33198759 [0,0,0,0,0,0|3,0,1]=4 229 B6R0.4 CSCC[C@H](C)O Amb33198747 [0,0,0,0,0,0|3,0,1]=4 230 B6R0.4 CSCSC(C)=O Amb27876851 [0,0,0,0,0,0|4,0,0]=4 231 B6R0.4 CSSCC(=O)O Amb25378801 [0,0,0,0,0,0|3,0,0]=3 232 B6R0.4 CS\C=C\C(=O)O Amb30584688 [0,0,0,0,0,0|2,0,2]=4 233 B6R0.4 C[C@@H](Cl)CCC=O Amb27595266 [0,0,0,0,0,0|2,0,1]=3 234 B6R0.4 C[C@@H](O)CCCCl Amb22801499 [0,0,0,0,0,0|2,0,2]=4 235 B6R0.4 C[C@@H](O)CCCF Amb33376908 [0,0,0,0,0,0|2,0,2]=4 236 B6R0.4 C[C@@H](O)CCCO Amb28047449 [0,0,0,0,0,0|1,0,3]=4 237 B6R0.4 C[C@H](Cl)CCC=O Amb28141995 [0,0,0,0,0,0|2,0,1]=3 238 B6R0.4 C[C@H](O)CCC=O Amb27188424 [0,0,0,0,0,0|1,0,1]=2 239 B6R0.4 C[C@H](O)CCCF Amb33376887 [0,0,0,0,0,0|2,0,2]=4 240 B6R0.4 C\C(N)=N\OC=O Amb27655517 [0,0,0,0,0,0|4,0,0]=4 241 B6R0.4 C\C=C/CB(O)O Amb27620496 [0,0,0,0,0,0|2,0,2]=4 242 B6R0.4 C\C=C\CC(=N)N Amb25176208 [0,0,0,0,0,0|3,0,1]=4 243 B6R0.4 C\C=C\CC(=O)O Amb3941538 [0,0,0,0,0,0|1,0,1]=2 244 B6R0.4 C\C=C\CC(N)=O Amb26589975 [0,0,0,0,0,0|2,0,1]=3 245 B6R0.4 C\C=C\CS(=O)[O-] Amb26887775 [0,0,0,0,0,0|2,0,2]=4 246 B6R0.4 C\C=C\C[C@H](C)O Amb27662307 [0,0,0,0,0,0|2,0,2]=4 247 B6R0.4 C\C=N\NC(N)=O Amb24351023 [0,0,0,0,0,0|4,0,0]=4 248 B6R0.4 C\N=C\CC(C)=O Amb28202181 [0,0,0,0,0,0|3,0,1]=4 249 B6R0.4 N#CCCC(=O)Cl Amb25106570 [0,0,0,0,0,0|2,0,1]=3 250 B6R0.4 N#CCCC(=O)O Amb2694975 [0,0,0,0,0,0|1,0,1]=2 251 B6R0.4 N#CCCC(N)=O Amb8841150 [0,0,0,0,0,0|2,0,1]=3 252 B6R0.4 N#CCCS(=O)Cl Amb32720334 [0,0,0,0,0,0|3,0,1]=4 253 B6R0.4 N#CCCS(=O)[O-] Amb32754806 [0,0,0,0,0,0|2,0,2]=4 254 B6R0.4 N#CCCS(N)=O Amb32720335 [0,0,0,0,0,0|3,0,1]=4 255 B6R0.4 N#CCNC(N)=O Amb20622301 [0,0,0,0,0,0|3,0,1]=4 256 B6R0.4 N#C\C=C\C(=O)O Amb25853809 [0,0,0,0,0,0|1,0,3]=4 257 B6R0.4 N=C(N)CCCBr Amb4297022 [0,0,0,0,0,0|3,0,1]=4 258 B6R0.4 N=C(N)CCCCl Amb4297061 [0,0,0,0,0,0|3,0,1]=4 259 B6R0.4 N=C(N)CCCF Amb27231400 [0,0,0,0,0,0|3,0,1]=4 260 B6R0.4 N=C(N)CCCN Amb25888970 [0,0,0,0,0,0|3,0,1]=4 261 B6R0.4 N=C(N)CCCN Amb33299271 [0,0,0,0,0,0|3,0,1]=4 262 B6R0.4 N=C(N)CCCO Amb33038287 [0,0,0,0,0,0|2,0,2]=4 263 B6R0.4 N=C(N)NNC=O Amb20000948 [0,0,0,0,0,0|4,0,0]=4 264 B6R0.4 N=CNCC(=O)Cl Amb27216499 [0,0,0,0,0,0|3,0,0]=3 265 B6R0.4 N=CNCC(=O)O Amb24670244 [0,0,0,0,0,0|2,0,0]=2 266 B6R0.4 NC(=O)CCCCl Amb1138237 [0,0,0,0,0,0|2,0,1]=3 267 B6R0.4 NC(=O)CCCF Amb28073400 [0,0,0,0,0,0|2,0,1]=3 268 B6R0.4 NC(=O)CCCO Amb20623438 [0,0,0,0,0,0|1,0,2]=3 269 B6R0.4 NC(=O)CCCS Amb27174778 [0,0,0,0,0,0|1,1,1]=3 270 B6R0.4 NC(=O)CN=C=S Amb6673216 [0,0,0,0,0,0|2,1,1]=4 271 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [0,0,0,0,0,0|2,0,1]=3 272 B6R0.4 NC(=O)NCCBr Amb28385599 [0,0,0,0,0,0|3,0,1]=4 273 B6R0.4 NC(=O)NCCF Amb27446994 [0,0,0,0,0,0|3,0,1]=4 274 B6R0.4 NC(=O)NCCI Amb27454955 [0,0,0,0,0,0|3,0,1]=4 275 B6R0.4 NC(=O)NCCO Amb1146041 [0,0,0,0,0,0|2,0,2]=4 276 B6R0.4 NC(=O)NNC=O Amb27874930 [0,0,0,0,0,0|3,0,0]=3 277 B6R0.4 NC(=O)OCCCl Amb3940645 [0,0,0,0,0,0|3,0,1]=4 278 B6R0.4 NC(=O)OCCO Amb20623788 [0,0,0,0,0,0|2,0,2]=4 279 B6R0.4 NC(=O)SCCCl Amb27619850 [0,0,0,0,0,0|3,0,1]=4 280 B6R0.4 NC(=S)CCCBr Amb33328371 [0,0,0,0,0,0|2,1,1]=4 281 B6R0.4 NC(=S)CCCCl Amb33328364 [0,0,0,0,0,0|2,1,1]=4 282 B6R0.4 NC(=S)CCCO Amb9215001 [0,0,0,0,0,0|1,1,2]=4 283 B6R0.4 NC(=S)CNC=O Amb24479904 [0,0,0,0,0,0|2,1,0]=3 284 B6R0.4 NC(=S)NNC=O Amb1790065 [0,0,0,0,0,0|3,1,0]=4 285 B6R0.4 NCC#CC(=O)O Amb25703096 [0,0,0,0,0,0|1,0,3]=4 286 B6R0.4 NCC#CC(=O)O Amb32666878 [0,0,0,0,0,0|1,0,3]=4 287 B6R0.4 NCCCB(O)O Amb25878196 [0,0,0,0,0,0|2,0,2]=4 288 B6R0.4 NCCCB(O)O Amb33339111 [0,0,0,0,0,0|2,0,2]=4 289 B6R0.4 NCCCC(=O)Cl Amb1935063 [0,0,0,0,0,0|2,0,1]=3 290 B6R0.4 NCCCC(=O)O Amb1935210 [0,0,0,0,0,0|1,0,1]=2 291 B6R0.4 NCCCC(N)=O Amb2099583 [0,0,0,0,0,0|2,0,1]=3 292 B6R0.4 NCCCC(N)=O Amb6543438 [0,0,0,0,0,0|2,0,1]=3 293 B6R0.4 NCCCS(=O)O Amb25185942 [0,0,0,0,0,0|2,0,1]=3 294 B6R0.4 NCCC[N+](=O)[O-] Amb18833132 [0,0,0,0,0,0|2,0,2]=4 295 B6R0.4 NCCC[PH](=O)O Amb22370049 [0,0,0,0,0,0|2,0,1]=3 296 B6R0.4 NCCNC(N)=O Amb19374121 [0,0,0,0,0,0|3,0,1]=4 297 B6R0.4 NCCNC(N)=O Amb32665340 [0,0,0,0,0,0|3,0,1]=4 298 B6R0.4 NCCNC(N)=O Amb6254968 [0,0,0,0,0,0|3,0,1]=4 299 B6R0.4 NCCOC(N)=O Amb22059480 [0,0,0,0,0,0|3,0,1]=4 300 B6R0.4 NCCOC(N)=O Amb24271076 [0,0,0,0,0,0|3,0,1]=4 301 B6R0.4 NCCOS(=O)O Amb25843211 [0,0,0,0,0,0|3,0,1]=4 302 B6R0.4 NCCO[PH](=O)O Amb28046334 [0,0,0,0,0,0|3,0,1]=4 303 B6R0.4 NC\C=C/C(=O)O Amb24117018 [0,0,0,0,0,0|1,0,3]=4 304 B6R0.4 NC\C=C\C(=O)O Amb33422010 [0,0,0,0,0,0|1,0,3]=4 305 B6R0.4 NC\C=C\C(=O)O Amb33422035 [0,0,0,0,0,0|1,0,3]=4 306 B6R0.4 NNCCC(=O)O Amb33756816 [0,0,0,0,0,0|2,0,0]=2 307 B6R0.4 NNCO[PH](=O)O Amb28239913 [0,0,0,0,0,0|4,0,0]=4 308 B6R0.4 NOCCC(=O)O Amb17569891 [0,0,0,0,0,0|2,0,0]=2 309 B6R0.4 NOCCC(=O)O Amb32693437 [0,0,0,0,0,0|2,0,0]=2 310 B6R0.4 NOCCC(N)=O Amb27838275 [0,0,0,0,0,0|3,0,0]=3 311 B6R0.4 NS(=O)CCCBr Amb32720400 [0,0,0,0,0,0|3,0,1]=4 312 B6R0.4 NS(=O)CCCCl Amb32720303 [0,0,0,0,0,0|3,0,1]=4 313 B6R0.4 NS(=O)CCCF Amb32720390 [0,0,0,0,0,0|3,0,1]=4 314 B6R0.4 O=C(Br)CCCBr Amb25724818 [0,0,0,0,0,0|2,0,1]=3 315 B6R0.4 O=C(Cl)CCCBr Amb3940241 [0,0,0,0,0,0|2,0,1]=3 316 B6R0.4 O=C(Cl)CCCCl Amb6608638 [0,0,0,0,0,0|2,0,1]=3 317 B6R0.4 O=C(Cl)NCCBr Amb28123956 [0,0,0,0,0,0|3,0,1]=4 318 B6R0.4 O=C(Cl)NCCCl Amb24479815 [0,0,0,0,0,0|3,0,1]=4 319 B6R0.4 O=C(Cl)NCCF Amb35633248 [0,0,0,0,0,0|3,0,1]=4 320 B6R0.4 O=C(Cl)OCCBr Amb8514406 [0,0,0,0,0,0|3,0,1]=4 321 B6R0.4 O=C(Cl)OCCCl Amb6608837 [0,0,0,0,0,0|3,0,1]=4 322 B6R0.4 O=C(Cl)OCCF Amb21618836 [0,0,0,0,0,0|3,0,1]=4 323 B6R0.4 O=C(O)C#CCCl Amb33544591 [0,0,0,0,0,0|1,0,3]=4 324 B6R0.4 O=C(O)C#CCI Amb27860307 [0,0,0,0,0,0|1,0,3]=4 325 B6R0.4 O=C(O)C#CCO Amb22002375 [0,0,0,0,0,0|0,0,4]=4 326 B6R0.4 O=C(O)CCCBr Amb8393276 [0,0,0,0,0,0|1,0,1]=2 327 B6R0.4 O=C(O)CCCCl Amb3940333 [0,0,0,0,0,0|1,0,1]=2 328 B6R0.4 O=C(O)CCCF Amb17593104 [0,0,0,0,0,0|1,0,1]=2 329 B6R0.4 O=C(O)CCCI Amb22295911 [0,0,0,0,0,0|1,0,1]=2 330 B6R0.4 O=C(O)CCCO Amb18640332 [0,0,0,0,0,0|0,0,2]=2 331 B6R0.4 O=C(O)CCCS Amb16185429 [0,0,0,0,0,0|0,1,1]=2 332 B6R0.4 O=C(O)CCNO Amb28067767 [0,0,0,0,0,0|1,0,1]=2 333 B6R0.4 O=C(O)CCSCl Amb28387511 [0,0,0,0,0,0|2,0,0]=2 334 B6R0.4 O=C(O)COCF Amb33378705 [0,0,0,0,0,0|2,0,1]=3 335 B6R0.4 O=C(O)CPCO Amb28340565 [0,0,0,0,0,0|1,0,2]=3 336 B6R0.4 O=C(O)CSSCl Amb27477882 [0,0,0,0,0,0|3,0,0]=3 337 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [0,0,0,0,0,0|1,0,1]=2 338 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [0,0,0,0,0,0|1,0,1]=2 339 B6R0.4 O=C(O)\C=C\CBr Amb18646194 [0,0,0,0,0,0|1,0,3]=4 340 B6R0.4 O=C(O)\C=C\CCl Amb23399655 [0,0,0,0,0,0|1,0,3]=4 341 B6R0.4 O=C(O)\C=C\CF Amb33470171 [0,0,0,0,0,0|1,0,3]=4 342 B6R0.4 O=C(O)\C=C\CO Amb32662006 [0,0,0,0,0,0|0,0,4]=4 343 B6R0.4 O=C(S)NCCO Amb27430045 [0,0,0,0,0,0|1,1,2]=4 344 B6R0.4 O=C([O-])CCCO Amb3429667 [0,0,0,0,0,0|0,0,3]=3 345 B6R0.4 O=C([O-])CNCO Amb8383630 [0,0,0,0,0,0|1,0,3]=4 346 B6R0.4 O=CCCC(=O)O Amb17673897 [0,0,0,0,0,0|0,0,0]=0 347 B6R0.4 O=CCCC(F)F Amb25848573 [0,0,0,0,0,0|2,0,1]=3 348 B6R0.4 O=CCCC(O)O Amb27838257 [0,0,0,0,0,0|0,0,2]=2 349 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [0,0,0,0,0,0|1,0,1]=2 350 B6R0.4 O=CNCC(=O)O Amb1911508 [0,0,0,0,0,0|1,0,0]=1 351 B6R0.4 O=COCC(=O)O Amb26624011 [0,0,0,0,0,0|1,0,0]=1 352 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [0,0,0,0,0,0|0,0,2]=2 353 B6R0.4 O=C\C=C\B(O)O Amb22899676 [0,0,0,0,0,0|1,0,3]=4 354 B6R0.4 O=S(Cl)CCCBr Amb32720399 [0,0,0,0,0,0|3,0,1]=4 355 B6R0.4 O=S(Cl)CCCCl Amb25791632 [0,0,0,0,0,0|3,0,1]=4 356 B6R0.4 O=S(Cl)CCCF Amb32720389 [0,0,0,0,0,0|3,0,1]=4 357 B6R0.4 O=S(O)COCO Amb27410575 [0,0,0,0,0,0|2,0,2]=4 358 B6R0.4 O=S(O)OCCCl Amb27786730 [0,0,0,0,0,0|3,0,1]=4 359 B6R0.4 O=S([O-])CCCBr Amb32754123 [0,0,0,0,0,0|2,0,2]=4 360 B6R0.4 O=S([O-])CCCCl Amb26370094 [0,0,0,0,0,0|2,0,2]=4 361 B6R0.4 O=S([O-])CCCF Amb32754093 [0,0,0,0,0,0|2,0,2]=4 362 B6R0.4 O=S([O-])CCCO Amb27221257 [0,0,0,0,0,0|1,0,3]=4 363 B6R0.4 O=[N+]([O-])CCCCl Amb25267487 [0,0,0,0,0,0|2,0,2]=4 364 B6R0.4 O=[N+]([O-])CCCF Amb25234942 [0,0,0,0,0,0|2,0,2]=4 365 B6R0.4 O=[N+]([O-])CCCO Amb20247690 [0,0,0,0,0,0|1,0,3]=4 366 B6R0.4 O=[PH](O)CCCO Amb28345330 [0,0,0,0,0,0|1,0,2]=3 367 B6R0.4 OB(O)CCCBr Amb24480413 [0,0,0,0,0,0|2,0,2]=4 368 B6R0.4 OB(O)CCCCl Amb28347311 [0,0,0,0,0,0|2,0,2]=4 369 B6R0.4 OB(O)CCNCl Amb27978905 [0,0,0,0,0,0|3,0,1]=4 370 B6R0.4 OCCCB(O)O Amb27391604 [0,0,0,0,0,0|1,0,3]=4 371 B6R0.4 [C-]#[N+]CCC(=C)C Amb33199608 [0,0,0,0,0,0|4,0,0]=4 372 B6R0.4 [N-]=[N+]=NCC(=O)Cl Amb27267972 [0,0,0,0,0,0|4,0,0]=4 373 B6R0.4 [N-]=[N+]=NCC(=O)F Amb27187200 [0,0,0,0,0,0|4,0,0]=4 374 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [0,0,0,0,0,0|3,0,0]=3 375 B6R0.4 [N-]=[N+]=NCC(=O)[O-] Amb32662603 [0,0,0,0,0,0|3,0,1]=4 376 B6R0.4 [N-]=[N+]=NCC(N)=O Amb26393051 [0,0,0,0,0,0|4,0,0]=4 377 B5R0.1 BC(=O)NCC Amb27430059 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.1 C#CCC(=O)O Amb33532662 [1,0,0,0,0,0|0,0,2]=3 379 B5R0.1 C=C(Br)CCBr Amb25827098 [1,0,0,0,0,0|3,0,0]=4 380 B5R0.1 C=C(Br)CCCl Amb8391241 [1,0,0,0,0,0|3,0,0]=4 381 B5R0.1 C=C(Br)CCO Amb4014497 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 C=C(C)CC=O Amb28202583 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.1 C=C(C)CCBr Amb21857866 [1,0,0,0,0,0|3,0,0]=4 384 B5R0.1 C=C(C)CCC Amb8513259 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 C=C(C)CCCl Amb27810807 [1,0,0,0,0,0|3,0,0]=4 386 B5R0.1 C=C(C)CCI Amb26649317 [1,0,0,0,0,0|3,0,0]=4 387 B5R0.1 C=C(C)CCN Amb17673481 [1,0,0,0,0,0|3,0,0]=4 388 B5R0.1 C=C(C)CCN Amb33543001 [1,0,0,0,0,0|3,0,0]=4 389 B5R0.1 C=C(C)CCO Amb34916534 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.1 C=C(C)CCO Amb8513522 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 C=C(C)CCS Amb25887673 [1,0,0,0,0,0|2,1,0]=4 392 B5R0.1 C=C(Cl)CCI Amb28187982 [1,0,0,0,0,0|3,0,0]=4 393 B5R0.1 C=C(Cl)CCN Amb27493165 [1,0,0,0,0,0|3,0,0]=4 394 B5R0.1 C=C=CC(N)=O Amb28049015 [1,0,0,0,0,0|1,0,2]=4 395 B5R0.1 C=CCB(O)O Amb20240823 [1,0,0,0,0,0|1,0,2]=4 396 B5R0.1 C=CCC(=C)C Amb22347764 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 C=CCC(=N)N Amb2695181 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 C=CCC(=O)Cl Amb33543701 [1,0,0,0,0,0|1,0,1]=3 399 B5R0.1 C=CCC(=O)O Amb3940098 [1,0,0,0,0,0|0,0,1]=2 400 B5R0.1 C=CCC(C)=O Amb8396482 [1,0,0,0,0,0|1,0,1]=3 401 B5R0.1 C=CCC(C)O Amb33539328 [1,0,0,0,0,0|1,0,2]=4 402 B5R0.1 C=CCC(N)=O Amb17610156 [1,0,0,0,0,0|1,0,1]=3 403 B5R0.1 C=CCS(=O)O Amb33534190 [1,0,0,0,0,0|1,0,1]=3 404 B5R0.1 C=CCS(=O)[O-] Amb25810896 [1,0,0,0,0,0|1,0,2]=4 405 B5R0.1 C=CCS(=O)[O-] Amb33527151 [1,0,0,0,0,0|1,0,2]=4 406 B5R0.1 C=CC[C@@H](C)O Amb22225370 [1,0,0,0,0,0|1,0,2]=4 407 B5R0.1 C=CC[C@H](C)O Amb22226758 [1,0,0,0,0,0|1,0,2]=4 408 B5R0.1 C=CC[N+](=O)[O-] Amb24625461 [1,0,0,0,0,0|1,0,2]=4 409 B5R0.1 C=CC[PH](=O)O Amb8391287 [1,0,0,0,0,0|1,0,1]=3 410 B5R0.1 C=CNC(C)=O Amb24323579 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 C=CNC(N)=O Amb25082241 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.1 C=COC(=O)Cl Amb8514993 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.1 C=COC(C)=O Amb8513382 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.1 C=NCC(N)=O Amb26548445 [1,0,0,0,0,0|2,0,0]=3 415 B5R0.1 C=NNC(C)=O Amb29626225 [1,0,0,0,0,0|3,0,0]=4 416 B5R0.1 CC#CC(=O)O Amb2685714 [1,0,0,0,0,0|0,0,3]=4 417 B5R0.1 CC(=O)C=C=O Amb10603952 [1,0,0,0,0,0|1,0,2]=4 418 B5R0.1 CC(=O)CC#N Amb1102132 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.1 CC(=O)CC=N Amb28285098 [1,0,0,0,0,0|2,0,0]=3 420 B5R0.1 CC(=O)CCBr Amb24078246 [1,0,0,0,0,0|2,0,0]=3 421 B5R0.1 CC(=O)CCCl Amb2720823 [1,0,0,0,0,0|2,0,0]=3 422 B5R0.1 CC(=O)CCF Amb26427773 [1,0,0,0,0,0|2,0,0]=3 423 B5R0.1 CC(=O)CCN Amb18632933 [1,0,0,0,0,0|2,0,0]=3 424 B5R0.1 CC(=O)CCN Amb33544540 [1,0,0,0,0,0|2,0,0]=3 425 B5R0.1 CC(=O)CCO Amb836357 [1,0,0,0,0,0|1,0,1]=3 426 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [1,0,0,0,0,0|2,0,0]=3 427 B5R0.1 CC(=O)CNO Amb28049954 [1,0,0,0,0,0|2,0,1]=4 428 B5R0.1 CC(=O)CSN Amb28430346 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.1 CC(=O)N=C=O Amb17231800 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.1 CC(=O)N=S=O Amb9786964 [1,0,0,0,0,0|3,0,0]=4 431 B5R0.1 CC(=O)NC=O Amb27850191 [1,0,0,0,0,0|2,0,0]=3 432 B5R0.1 CC(=O)NCO Amb8516057 [1,0,0,0,0,0|2,0,1]=4 433 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,0,0,0,0|2,0,0]=3 434 B5R0.1 CC(=O)OCBr Amb3941481 [1,0,0,0,0,0|3,0,0]=4 435 B5R0.1 CC(=O)OCCl Amb33542858 [1,0,0,0,0,0|3,0,0]=4 436 B5R0.1 CC(=O)OCI Amb25226851 [1,0,0,0,0,0|3,0,0]=4 437 B5R0.1 CC(=O)SCBr Amb25349900 [1,0,0,0,0,0|3,0,0]=4 438 B5R0.1 CC(=O)SCI Amb33339258 [1,0,0,0,0,0|3,0,0]=4 439 B5R0.1 CC(=O)SCO Amb27255261 [1,0,0,0,0,0|2,0,1]=4 440 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,0,0,0,0|2,0,1]=4 441 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [1,0,0,0,0,0|1,0,2]=4 442 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.1 CC(=O)\C=C\N Amb8395283 [1,0,0,0,0,0|2,0,1]=4 444 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [1,0,0,0,0,0|1,0,2]=4 445 B5R0.1 CC(C)=CC=O Amb8385061 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.1 CC(C)CC=O Amb3939851 [1,0,0,0,0,0|2,0,1]=4 447 B5R0.1 CC(F)CC=O Amb28051612 [1,0,0,0,0,0|2,0,1]=4 448 B5R0.1 CC(O)CC=O Amb4036424 [1,0,0,0,0,0|1,0,1]=3 449 B5R0.1 CC(O)CCBr Amb33548043 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.1 CC(O)CCCl Amb24551052 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.1 CC(O)CCF Amb26449397 [1,0,0,0,0,0|2,0,1]=4 452 B5R0.1 CC(O)CCN Amb32666140 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.1 CC(O)CCN Amb33537908 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.1 CC(O)CCO Amb6608662 [1,0,0,0,0,0|1,0,2]=4 455 B5R0.1 CC(O)NC=O Amb28049622 [1,0,0,0,0,0|2,0,1]=4 456 B5R0.1 CCCB(O)O Amb2447105 [1,0,0,0,0,0|1,0,2]=4 457 B5R0.1 CCCC(=N)N Amb10610381 [1,0,0,0,0,0|2,0,1]=4 458 B5R0.1 CCCC(=N)N Amb2695914 [1,0,0,0,0,0|2,0,1]=4 459 B5R0.1 CCCC(=O)Br Amb22734023 [1,0,0,0,0,0|1,0,1]=3 460 B5R0.1 CCCC(=O)Cl Amb2792903 [1,0,0,0,0,0|1,0,1]=3 461 B5R0.1 CCCC(=O)O Amb3939012 [1,0,0,0,0,0|0,0,1]=2 462 B5R0.1 CCCC(=O)[O-] Amb8514901 [1,0,0,0,0,0|0,0,2]=3 463 B5R0.1 CCCC(=S)Cl Amb24626931 [1,0,0,0,0,0|1,1,1]=4 464 B5R0.1 CCCC(C)=O Amb6608910 [1,0,0,0,0,0|1,0,1]=3 465 B5R0.1 CCCC(C)O Amb4605839 [1,0,0,0,0,0|1,0,2]=4 466 B5R0.1 CCCC(N)=O Amb3886524 [1,0,0,0,0,0|1,0,1]=3 467 B5R0.1 CCCC(N)=S Amb6245403 [1,0,0,0,0,0|1,1,1]=4 468 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [1,0,0,0,0,0|2,0,1]=4 469 B5R0.1 CCCC(O)=S Amb22229383 [1,0,0,0,0,0|0,1,1]=3 470 B5R0.1 CCCC(O)Cl Amb22552567 [1,0,0,0,0,0|1,0,2]=4 471 B5R0.1 CCCC(O)O Amb26364594 [1,0,0,0,0,0|0,0,3]=4 472 B5R0.1 CCCN(C)O Amb25024622 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.1 CCCS(=O)Cl Amb25025566 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.1 CCCS(=O)[O-] Amb19929119 [1,0,0,0,0,0|1,0,2]=4 475 B5R0.1 CCCS(N)=O Amb24733579 [1,0,0,0,0,0|2,0,1]=4 476 B5R0.1 CCC[C@@H](C)O Amb8628178 [1,0,0,0,0,0|1,0,2]=4 477 B5R0.1 CCC[C@@H](N)O Amb28074861 [1,0,0,0,0,0|1,0,2]=4 478 B5R0.1 CCC[C@H](C)O Amb8389338 [1,0,0,0,0,0|1,0,2]=4 479 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.1 CCNC(=O)Cl Amb25791793 [1,0,0,0,0,0|2,0,1]=4 481 B5R0.1 CCNC(C)=O Amb2780415 [1,0,0,0,0,0|2,0,1]=4 482 B5R0.1 CCNC(N)=O Amb6608844 [1,0,0,0,0,0|2,0,1]=4 483 B5R0.1 CCOC(=O)Cl Amb2793045 [1,0,0,0,0,0|2,0,1]=4 484 B5R0.1 CCOC(=O)O Amb8393208 [1,0,0,0,0,0|1,0,1]=3 485 B5R0.1 CCOC(C)=O Amb3940488 [1,0,0,0,0,0|2,0,1]=4 486 B5R0.1 CCOC(N)=O Amb6608672 [1,0,0,0,0,0|2,0,1]=4 487 B5R0.1 CCO[PH](=O)O Amb22360741 [1,0,0,0,0,0|2,0,1]=4 488 B5R0.1 CCO[Si](=O)O Amb26569259 [1,0,0,0,0,0|1,1,1]=4 489 B5R0.1 CCSC(=O)Cl Amb8516064 [1,0,0,0,0,0|2,0,1]=4 490 B5R0.1 CN(C)CC=O Amb22002191 [1,0,0,0,0,0|3,0,0]=4 491 B5R0.1 CN(C)CC=O Amb22491245 [1,0,0,0,0,0|3,0,0]=4 492 B5R0.1 CN(O)CCCl Amb27473361 [1,0,0,0,0,0|3,0,0]=4 493 B5R0.1 CN(O)CCF Amb33377280 [1,0,0,0,0,0|3,0,0]=4 494 B5R0.1 CNCC(=O)O Amb6298808 [1,0,0,0,0,0|1,0,1]=3 495 B5R0.1 CNCC(=O)O Amb6599996 [1,0,0,0,0,0|1,0,1]=3 496 B5R0.1 CNCC(=O)[O-] Amb20246714 [1,0,0,0,0,0|1,0,2]=4 497 B5R0.1 CNCC(C)=O Amb17621974 [1,0,0,0,0,0|2,0,1]=4 498 B5R0.1 CNCC(C)=O Amb21959975 [1,0,0,0,0,0|2,0,1]=4 499 B5R0.1 CNCC(N)=O Amb19134307 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 CNCC(N)=O Amb3940074 [1,0,0,0,0,0|2,0,1]=4 501 B5R0.1 CNCC(N)=O Amb9151172 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.1 COCC(=O)Cl Amb3939326 [1,0,0,0,0,0|2,0,1]=4 503 B5R0.1 COCC(=O)O Amb3939876 [1,0,0,0,0,0|1,0,1]=3 504 B5R0.1 COCC(C)=O Amb8513767 [1,0,0,0,0,0|2,0,1]=4 505 B5R0.1 COCC(N)=O Amb1153776 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.1 CS(=O)CCBr Amb28049280 [1,0,0,0,0,0|3,0,0]=4 507 B5R0.1 CS(=O)CCCl Amb24116979 [1,0,0,0,0,0|3,0,0]=4 508 B5R0.1 CS(=O)CCI Amb27752977 [1,0,0,0,0,0|3,0,0]=4 509 B5R0.1 CS(=O)CCN Amb2786559 [1,0,0,0,0,0|3,0,0]=4 510 B5R0.1 CS(=O)CCN Amb33543191 [1,0,0,0,0,0|3,0,0]=4 511 B5R0.1 CS(=O)CCO Amb28075364 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.1 CSCC(=O)Cl Amb24528357 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.1 CSCC(=O)O Amb1152425 [1,0,0,0,0,0|1,0,1]=3 514 B5R0.1 CSCC(C)=O Amb20621731 [1,0,0,0,0,0|2,0,1]=4 515 B5R0.1 CSCC(N)=O Amb19515874 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.1 C[C@@H](O)CCBr Amb27392288 [1,0,0,0,0,0|2,0,1]=4 517 B5R0.1 C[C@@H](O)CCF Amb33376906 [1,0,0,0,0,0|2,0,1]=4 518 B5R0.1 C[C@@H](O)CCI Amb27594639 [1,0,0,0,0,0|2,0,1]=4 519 B5R0.1 C[C@@H](O)CCN Amb22736702 [1,0,0,0,0,0|2,0,1]=4 520 B5R0.1 C[C@@H](O)CCN Amb28555327 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.1 C[C@@H](O)CCO Amb4166294 [1,0,0,0,0,0|1,0,2]=4 522 B5R0.1 C[C@H](O)CC=O Amb27595676 [1,0,0,0,0,0|1,0,1]=3 523 B5R0.1 C[C@H](O)CCBr Amb28367228 [1,0,0,0,0,0|2,0,1]=4 524 B5R0.1 C[C@H](O)CCF Amb33376900 [1,0,0,0,0,0|2,0,1]=4 525 B5R0.1 C[C@H](O)CCN Amb22736705 [1,0,0,0,0,0|2,0,1]=4 526 B5R0.1 C[C@H](O)CCN Amb34159890 [1,0,0,0,0,0|2,0,1]=4 527 B5R0.1 C[C@H](O)CCO Amb4166300 [1,0,0,0,0,0|1,0,2]=4 528 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [1,0,0,0,0,0|2,0,1]=4 529 B5R0.1 C\C(Br)=C/C=O Amb27202112 [1,0,0,0,0,0|2,0,1]=4 530 B5R0.1 C\C(Br)=C\C=O Amb27201671 [1,0,0,0,0,0|2,0,1]=4 531 B5R0.1 C\C(N)=C/C=O Amb2612039 [1,0,0,0,0,0|2,0,1]=4 532 B5R0.1 C\C(O)=C\CN Amb33294274 [1,0,0,0,0,0|2,0,1]=4 533 B5R0.1 C\C=C/C(=O)O Amb27779315 [1,0,0,0,0,0|1,0,1]=3 534 B5R0.1 C\C=C/C(C)=O Amb28351405 [1,0,0,0,0,0|2,0,1]=4 535 B5R0.1 C\C=C\C(=O)Br Amb25026006 [1,0,0,0,0,0|2,0,1]=4 536 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [1,0,0,0,0,0|2,0,1]=4 537 B5R0.1 C\C=C\C(=O)O Amb8385856 [1,0,0,0,0,0|1,0,1]=3 538 B5R0.1 C\C=C\C(C)=O Amb33941980 [1,0,0,0,0,0|2,0,1]=4 539 B5R0.1 C\C=C\C(N)=O Amb4025906 [1,0,0,0,0,0|2,0,1]=4 540 B5R0.1 N#CCC(=O)Cl Amb17593096 [1,0,0,0,0,0|2,0,1]=4 541 B5R0.1 N#CCC(=O)O Amb2609022 [1,0,0,0,0,0|1,0,1]=3 542 B5R0.1 N#CCC(N)=O Amb6336473 [1,0,0,0,0,0|2,0,1]=4 543 B5R0.1 N=C(Br)CCBr Amb27653883 [1,0,0,0,0,0|3,0,0]=4 544 B5R0.1 N=C(N)CCBr Amb4297021 [1,0,0,0,0,0|3,0,0]=4 545 B5R0.1 N=C(N)CCCl Amb25839424 [1,0,0,0,0,0|3,0,0]=4 546 B5R0.1 N=C(N)CCF Amb26024692 [1,0,0,0,0,0|3,0,0]=4 547 B5R0.1 N=C(N)CCN Amb27265608 [1,0,0,0,0,0|3,0,0]=4 548 B5R0.1 N=C(N)CCN Amb32687503 [1,0,0,0,0,0|3,0,0]=4 549 B5R0.1 N=C(N)CCN Amb33164129 [1,0,0,0,0,0|3,0,0]=4 550 B5R0.1 N=C(N)CCO Amb2696134 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.1 N=C(N)CCO Amb8630168 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.1 N=C(N)NC=O Amb4020732 [1,0,0,0,0,0|3,0,0]=4 553 B5R0.1 NC(=O)CC=O Amb25777522 [1,0,0,0,0,0|1,0,0]=2 554 B5R0.1 NC(=O)CCBr Amb21618712 [1,0,0,0,0,0|2,0,0]=3 555 B5R0.1 NC(=O)CCCl Amb1127569 [1,0,0,0,0,0|2,0,0]=3 556 B5R0.1 NC(=O)CCF Amb28289353 [1,0,0,0,0,0|2,0,0]=3 557 B5R0.1 NC(=O)CCI Amb27966778 [1,0,0,0,0,0|2,0,0]=3 558 B5R0.1 NC(=O)CCO Amb9421407 [1,0,0,0,0,0|1,0,1]=3 559 B5R0.1 NC(=O)CCS Amb27154802 [1,0,0,0,0,0|1,1,0]=3 560 B5R0.1 NC(=O)CNCl Amb28315673 [1,0,0,0,0,0|3,0,0]=4 561 B5R0.1 NC(=O)NC=O Amb8514974 [1,0,0,0,0,0|2,0,0]=3 562 B5R0.1 NC(=O)NCO Amb17674341 [1,0,0,0,0,0|2,0,1]=4 563 B5R0.1 NC(=O)SCCl Amb26419693 [1,0,0,0,0,0|3,0,0]=4 564 B5R0.1 NC(=O)\C=C\I Amb27791850 [1,0,0,0,0,0|2,0,1]=4 565 B5R0.1 NC(=S)CCCl Amb33328368 [1,0,0,0,0,0|2,1,0]=4 566 B5R0.1 NC(=S)CCF Amb27950563 [1,0,0,0,0,0|2,1,0]=4 567 B5R0.1 NC(=S)CCO Amb8855295 [1,0,0,0,0,0|1,1,1]=4 568 B5R0.1 NC(=S)CCS Amb17503271 [1,0,0,0,0,0|1,2,0]=4 569 B5R0.1 NC(O)CCO Amb28252327 [1,0,0,0,0,0|1,0,2]=4 570 B5R0.1 NCCB(O)O Amb27859105 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.1 NCCC(=O)Cl Amb24117140 [1,0,0,0,0,0|2,0,0]=3 572 B5R0.1 NCCC(=O)O Amb1935127 [1,0,0,0,0,0|1,0,0]=2 573 B5R0.1 NCCC(=O)[O-] Amb28991330 [1,0,0,0,0,0|1,0,1]=3 574 B5R0.1 NCCC(N)=O Amb1137251 [1,0,0,0,0,0|2,0,0]=3 575 B5R0.1 NCCC(N)=O Amb9147573 [1,0,0,0,0,0|2,0,0]=3 576 B5R0.1 NCCC(N)=S Amb18523221 [1,0,0,0,0,0|2,1,0]=4 577 B5R0.1 NCCC(N)=S Amb33456385 [1,0,0,0,0,0|2,1,0]=4 578 B5R0.1 NCCC(O)O Amb27449145 [1,0,0,0,0,0|1,0,2]=4 579 B5R0.1 NCCS(=O)O Amb6600043 [1,0,0,0,0,0|2,0,0]=3 580 B5R0.1 NCCS(N)=O Amb33512527 [1,0,0,0,0,0|3,0,0]=4 581 B5R0.1 NCC[N+](=O)[O-] Amb18203119 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.1 NCC[PH](=O)O Amb22168066 [1,0,0,0,0,0|2,0,0]=3 583 B5R0.1 NCC[PH](=O)O Amb35788864 [1,0,0,0,0,0|2,0,0]=3 584 B5R0.1 NNCC(=O)O Amb32751165 [1,0,0,0,0,0|2,0,0]=3 585 B5R0.1 NNCC(=O)O Amb6740299 [1,0,0,0,0,0|2,0,0]=3 586 B5R0.1 NNCC(N)=O Amb32990162 [1,0,0,0,0,0|3,0,0]=4 587 B5R0.1 NOCC(=O)O Amb1154237 [1,0,0,0,0,0|2,0,0]=3 588 B5R0.1 NOCC(=O)O Amb4324355 [1,0,0,0,0,0|2,0,0]=3 589 B5R0.1 NOCC(=O)O Amb8513076 [1,0,0,0,0,0|2,0,0]=3 590 B5R0.1 NOCC(N)=O Amb33528973 [1,0,0,0,0,0|3,0,0]=4 591 B5R0.1 NS(=O)CCCl Amb24407159 [1,0,0,0,0,0|3,0,0]=4 592 B5R0.1 NS(=O)CCF Amb32720391 [1,0,0,0,0,0|3,0,0]=4 593 B5R0.1 NS(=O)CCO Amb32720357 [1,0,0,0,0,0|2,0,1]=4 594 B5R0.1 N\C=C\C(=O)O Amb27217920 [1,0,0,0,0,0|1,0,1]=3 595 B5R0.1 N\C=C\C(N)=O Amb27237320 [1,0,0,0,0,0|2,0,1]=4 596 B5R0.1 O=C(Br)CCBr Amb24624022 [1,0,0,0,0,0|2,0,0]=3 597 B5R0.1 O=C(Cl)CCBr Amb3941484 [1,0,0,0,0,0|2,0,0]=3 598 B5R0.1 O=C(Cl)CCCl Amb3939313 [1,0,0,0,0,0|2,0,0]=3 599 B5R0.1 O=C(Cl)CCF Amb27148631 [1,0,0,0,0,0|2,0,0]=3 600 B5R0.1 O=C(Cl)CCI Amb28454579 [1,0,0,0,0,0|2,0,0]=3 601 B5R0.1 O=C(Cl)CCO Amb27270014 [1,0,0,0,0,0|1,0,1]=3 602 B5R0.1 O=C(Cl)NCCl Amb28315820 [1,0,0,0,0,0|3,0,0]=4 603 B5R0.1 O=C(Cl)OCCl Amb8389474 [1,0,0,0,0,0|3,0,0]=4 604 B5R0.1 O=C(Cl)\C=C/Cl Amb27463694 [1,0,0,0,0,0|2,0,1]=4 605 B5R0.1 O=C(F)CCCl Amb27257545 [1,0,0,0,0,0|2,0,0]=3 606 B5R0.1 O=C(F)OCCl Amb27860169 [1,0,0,0,0,0|3,0,0]=4 607 B5R0.1 O=C(O)C#CBr Amb17593707 [1,0,0,0,0,0|1,0,2]=4 608 B5R0.1 O=C(O)C#CCl Amb17593098 [1,0,0,0,0,0|1,0,2]=4 609 B5R0.1 O=C(O)CCBr Amb2685479 [1,0,0,0,0,0|1,0,0]=2 610 B5R0.1 O=C(O)CCCl Amb5395408 [1,0,0,0,0,0|1,0,0]=2 611 B5R0.1 O=C(O)CCF Amb10603694 [1,0,0,0,0,0|1,0,0]=2 612 B5R0.1 O=C(O)CCI Amb2688882 [1,0,0,0,0,0|1,0,0]=2 613 B5R0.1 O=C(O)CCO Amb2688785 [1,0,0,0,0,0|0,0,1]=2 614 B5R0.1 O=C(O)CCS Amb6608916 [1,0,0,0,0,0|0,1,0]=2 615 B5R0.1 O=C(O)CNO Amb24120360 [1,0,0,0,0,0|1,0,1]=3 616 B5R0.1 O=C(O)\C=C/Br Amb18644453 [1,0,0,0,0,0|1,0,1]=3 617 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [1,0,0,0,0,0|1,0,1]=3 618 B5R0.1 O=C(O)\C=C/I Amb28315824 [1,0,0,0,0,0|1,0,1]=3 619 B5R0.1 O=C(O)\C=C\Br Amb27423608 [1,0,0,0,0,0|1,0,1]=3 620 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [1,0,0,0,0,0|1,0,1]=3 621 B5R0.1 O=C(O)\C=C\I Amb30584673 [1,0,0,0,0,0|1,0,1]=3 622 B5R0.1 O=C(O)\C=C\O Amb26055842 [1,0,0,0,0,0|0,0,2]=3 623 B5R0.1 O=C(O)\C=C\S Amb28401590 [1,0,0,0,0,0|0,1,1]=3 624 B5R0.1 O=C(O)\C=N\O Amb20671938 [1,0,0,0,0,0|1,0,2]=4 625 B5R0.1 O=C(S)CCCl Amb27461454 [1,0,0,0,0,0|1,1,0]=3 626 B5R0.1 O=C([O-])CCO Amb22055495 [1,0,0,0,0,0|0,0,2]=3 627 B5R0.1 O=C([O-])NCCl Amb27777248 [1,0,0,0,0,0|2,0,1]=4 628 B5R0.1 O=C=NC(=O)Cl Amb22348016 [1,0,0,0,0,0|2,0,1]=4 629 B5R0.1 O=CC=C(Cl)Cl Amb24691205 [1,0,0,0,0,0|2,0,1]=4 630 B5R0.1 O=CCB(O)O Amb27449470 [1,0,0,0,0,0|1,0,1]=3 631 B5R0.1 O=CCC(=O)O Amb22169407 [1,0,0,0,0,0|0,0,0]=1 632 B5R0.1 O=CCC(=O)[Na] Amb27949540 [1,0,0,0,0,0|1,0,0]=2 633 B5R0.1 O=CCC(Cl)Cl Amb27749867 [1,0,0,0,0,0|2,0,1]=4 634 B5R0.1 O=CCC(F)F Amb27234494 [1,0,0,0,0,0|2,0,1]=4 635 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [1,0,0,0,0,0|1,0,1]=3 636 B5R0.1 O=S(Cl)CCCl Amb26494051 [1,0,0,0,0,0|3,0,0]=4 637 B5R0.1 O=S(Cl)CCF Amb32720386 [1,0,0,0,0,0|3,0,0]=4 638 B5R0.1 O=S(Cl)CCO Amb32720404 [1,0,0,0,0,0|2,0,1]=4 639 B5R0.1 O=S(O)CCO Amb25937057 [1,0,0,0,0,0|1,0,1]=3 640 B5R0.1 O=S([O-])CCCl Amb27639192 [1,0,0,0,0,0|2,0,1]=4 641 B5R0.1 O=S([O-])CCF Amb27213259 [1,0,0,0,0,0|2,0,1]=4 642 B5R0.1 O=S([O-])CCO Amb32754124 [1,0,0,0,0,0|1,0,2]=4 643 B5R0.1 O=[N+]([O-])CCBr Amb25965752 [1,0,0,0,0,0|2,0,1]=4 644 B5R0.1 O=[N+]([O-])CCCl Amb28381478 [1,0,0,0,0,0|2,0,1]=4 645 B5R0.1 O=[N+]([O-])CCF Amb17674352 [1,0,0,0,0,0|2,0,1]=4 646 B5R0.1 O=[N+]([O-])CCO Amb3940447 [1,0,0,0,0,0|1,0,2]=4 647 B5R0.1 O=[N+]([O-])CCS Amb26620894 [1,0,0,0,0,0|1,1,1]=4 648 B5R0.1 OB(O)CCF Amb27479949 [1,0,0,0,0,0|2,0,1]=4 649 B5R0.1 OC(Br)CCBr Amb27457468 [1,0,0,0,0,0|2,0,1]=4 650 B5R0.1 OC(Cl)CCCl Amb28255432 [1,0,0,0,0,0|2,0,1]=4 651 B5R0.1 OC(O)CCS Amb25746150 [1,0,0,0,0,0|0,1,2]=4 652 B5R0.1 OCCC(O)Cl Amb26052481 [1,0,0,0,0,0|1,0,2]=4 653 B5R0.1 OP(O)CCCl Amb27169424 [1,0,0,0,0,0|2,0,1]=4 654 B5R0.2 C#CCCC=C Amb18117518 [1,0,0,0,0,0|2,0,1]=4 655 B5R0.2 C#CCCC=O Amb28049678 [1,0,0,0,0,0|1,0,1]=3 656 B5R0.2 C#CCCCO Amb1219893 [1,0,0,0,0,0|1,0,2]=4 657 B5R0.2 C=C=CCC=O Amb27234481 [1,0,0,0,0,0|1,0,2]=4 658 B5R0.2 C=CC#CC=O Amb28284761 [1,0,0,0,0,0|1,0,2]=4 659 B5R0.2 C=CCCC#N Amb10605750 [1,0,0,0,0,0|2,0,1]=4 660 B5R0.2 C=CCCC=C Amb8513514 [1,0,0,0,0,0|2,0,0]=3 661 B5R0.2 C=CCCC=O Amb4358616 [1,0,0,0,0,0|1,0,0]=2 662 B5R0.2 C=CCCCBr Amb3940219 [1,0,0,0,0,0|2,0,1]=4 663 B5R0.2 C=CCCCC Amb3940497 [1,0,0,0,0,0|2,0,1]=4 664 B5R0.2 C=CCCCCl Amb22229585 [1,0,0,0,0,0|2,0,1]=4 665 B5R0.2 C=CCCCF Amb25689705 [1,0,0,0,0,0|2,0,1]=4 666 B5R0.2 C=CCCCI Amb25278794 [1,0,0,0,0,0|2,0,1]=4 667 B5R0.2 C=CCCCN Amb18299670 [1,0,0,0,0,0|2,0,1]=4 668 B5R0.2 C=CCCCN Amb22001451 [1,0,0,0,0,0|2,0,1]=4 669 B5R0.2 C=CCCCO Amb8513439 [1,0,0,0,0,0|1,0,1]=3 670 B5R0.2 C=CCCC[CH2-] Amb32644015 [1,0,0,0,0,0|2,0,1]=4 671 B5R0.2 C=CCCNC Amb18993048 [1,0,0,0,0,0|3,0,0]=4 672 B5R0.2 C=CCCNC Amb33553635 [1,0,0,0,0,0|3,0,0]=4 673 B5R0.2 C=CCCOC Amb28065418 [1,0,0,0,0,0|3,0,0]=4 674 B5R0.2 C=CCCON Amb22233632 [1,0,0,0,0,0|3,0,0]=4 675 B5R0.2 C=CCCON Amb22896384 [1,0,0,0,0,0|3,0,0]=4 676 B5R0.2 C=CCCSC Amb24431590 [1,0,0,0,0,0|3,0,0]=4 677 B5R0.2 C=CCN=C=O Amb3939127 [1,0,0,0,0,0|2,0,1]=4 678 B5R0.2 C=CCNC=C Amb28134893 [1,0,0,0,0,0|3,0,0]=4 679 B5R0.2 C=CCNC=O Amb2781857 [1,0,0,0,0,0|2,0,0]=3 680 B5R0.2 C=CCOC=C Amb17933943 [1,0,0,0,0,0|3,0,0]=4 681 B5R0.2 C=CC\C=C/C Amb26426294 [1,0,0,0,0,0|2,0,1]=4 682 B5R0.2 C=COCCO Amb17674184 [1,0,0,0,0,0|2,0,1]=4 683 B5R0.2 C=CSCCO Amb27607172 [1,0,0,0,0,0|2,0,1]=4 684 B5R0.2 C=C\C=C\C=O Amb26369847 [1,0,0,0,0,0|1,0,2]=4 685 B5R0.2 CC#CCC=O Amb27850282 [1,0,0,0,0,0|1,0,2]=4 686 B5R0.2 CCCCC=O Amb3939655 [1,0,0,0,0,0|1,0,1]=3 687 B5R0.2 CCCCCO Amb3939051 [1,0,0,0,0,0|1,0,2]=4 688 B5R0.2 CCCCNO Amb24686451 [1,0,0,0,0,0|2,0,1]=4 689 B5R0.2 CCCCNO Amb32687485 [1,0,0,0,0,0|2,0,1]=4 690 B5R0.2 CCSCC=O Amb17940620 [1,0,0,0,0,0|2,0,1]=4 691 B5R0.2 CNCCCO Amb9246656 [1,0,0,0,0,0|2,0,1]=4 692 B5R0.2 CNCCNO Amb27976196 [1,0,0,0,0,0|3,0,0]=4 693 B5R0.2 COCCC=O Amb10602324 [1,0,0,0,0,0|2,0,0]=3 694 B5R0.2 COCCCO Amb8385593 [1,0,0,0,0,0|2,0,1]=4 695 B5R0.2 COCCNO Amb25284480 [1,0,0,0,0,0|3,0,0]=4 696 B5R0.2 COCNC=O Amb28049834 [1,0,0,0,0,0|3,0,0]=4 697 B5R0.2 CSCCC=O Amb3939952 [1,0,0,0,0,0|2,0,0]=3 698 B5R0.2 CSCCCO Amb3939523 [1,0,0,0,0,0|2,0,1]=4 699 B5R0.2 CSCCNO Amb33272071 [1,0,0,0,0,0|3,0,0]=4 700 B5R0.2 C\C=C/CCO Amb19930204 [1,0,0,0,0,0|1,0,2]=4 701 B5R0.2 C\C=C\CC=O Amb26655030 [1,0,0,0,0,0|1,0,1]=3 702 B5R0.2 C\C=C\CCO Amb24655557 [1,0,0,0,0,0|1,0,2]=4 703 B5R0.2 N#CCCC=O Amb3941009 [1,0,0,0,0,0|1,0,1]=3 704 B5R0.2 N#CCCCO Amb4021727 [1,0,0,0,0,0|1,0,2]=4 705 B5R0.2 N#CCCNO Amb22748730 [1,0,0,0,0,0|2,0,1]=4 706 B5R0.2 N#CCOC=O Amb22347946 [1,0,0,0,0,0|2,0,1]=4 707 B5R0.2 NCCCC=O Amb26851044 [1,0,0,0,0,0|1,0,1]=3 708 B5R0.2 NCCCCO Amb3939336 [1,0,0,0,0,0|1,0,2]=4 709 B5R0.2 NCCCN=O Amb28049442 [1,0,0,0,0,0|2,0,1]=4 710 B5R0.2 NCCCNO Amb27882495 [1,0,0,0,0,0|2,0,1]=4 711 B5R0.2 NCCCNO Amb32729324 [1,0,0,0,0,0|2,0,1]=4 712 B5R0.2 NCCOC=O Amb24612320 [1,0,0,0,0,0|2,0,1]=4 713 B5R0.2 NNCCCO Amb19514839 [1,0,0,0,0,0|2,0,1]=4 714 B5R0.2 NNCCCO Amb22058994 [1,0,0,0,0,0|2,0,1]=4 715 B5R0.2 NOCCCO Amb18061671 [1,0,0,0,0,0|2,0,1]=4 716 B5R0.2 N\C=N\OC=O Amb28118665 [1,0,0,0,0,0|3,0,0]=4 717 B5R0.2 O=C=NCCO Amb27659445 [1,0,0,0,0,0|1,0,2]=4 718 B5R0.2 O=CCCC=O Amb8395090 [1,0,0,0,0,0|0,0,0]=1 719 B5R0.2 O=CCCCBr Amb18644189 [1,0,0,0,0,0|1,0,1]=3 720 B5R0.2 O=CCCCCl Amb8395190 [1,0,0,0,0,0|1,0,1]=3 721 B5R0.2 O=CCCCF Amb24056028 [1,0,0,0,0,0|1,0,1]=3 722 B5R0.2 O=CCCCI Amb27249641 [1,0,0,0,0,0|1,0,1]=3 723 B5R0.2 O=CCCCO Amb24589235 [1,0,0,0,0,0|0,0,1]=2 724 B5R0.2 O=CCCSS Amb22524519 [1,0,0,0,0,0|1,1,0]=3 725 B5R0.2 O=CCNC=O Amb26370295 [1,0,0,0,0,0|1,0,0]=2 726 B5R0.2 O=CC\C=C\Cl Amb24571938 [1,0,0,0,0,0|1,0,1]=3 727 B5R0.2 O=CNCCF Amb28205988 [1,0,0,0,0,0|2,0,1]=4 728 B5R0.2 O=CNNC=O Amb6298322 [1,0,0,0,0,0|2,0,0]=3 729 B5R0.2 O=COCCBr Amb27816149 [1,0,0,0,0,0|2,0,1]=4 730 B5R0.2 O=COCCO Amb26625741 [1,0,0,0,0,0|1,0,1]=3 731 B5R0.2 O=C\C=C/C=O Amb28146767 [1,0,0,0,0,0|0,0,2]=3 732 B5R0.2 O=C\C=C\C=O Amb17593019 [1,0,0,0,0,0|0,0,2]=3 733 B5R0.2 O=C\C=C\CO Amb24356008 [1,0,0,0,0,0|0,0,3]=4 734 B5R0.2 O=NOCCO Amb22363071 [1,0,0,0,0,0|2,0,1]=4 735 B5R0.2 OCCCCBr Amb8395353 [1,0,0,0,0,0|1,0,2]=4 736 B5R0.2 OCCCCCl Amb1101976 [1,0,0,0,0,0|1,0,2]=4 737 B5R0.2 OCCCCF Amb17593046 [1,0,0,0,0,0|1,0,2]=4 738 B5R0.2 OCCCCO Amb2793029 [1,0,0,0,0,0|0,0,3]=4 739 B5R0.2 OCC\C=C\Br Amb27425005 [1,0,0,0,0,0|1,0,2]=4 740 B5R0.2 OCC\C=C\Cl Amb27859286 [1,0,0,0,0,0|1,0,2]=4 741 B5R0.2 ONCCCF Amb25931859 [1,0,0,0,0,0|2,0,1]=4 742 B5R0.2 O\C=N\CCCl Amb24684796 [1,0,0,0,0,0|2,0,1]=4 743 B5R0.2 [N-]=[N+]=NCC=O Amb26953499 [1,0,0,0,0,0|3,0,0]=4 744 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [0,1,0,0,0,0|1,0,1]=3 745 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [0,1,0,0,0,0|1,0,1]=3 746 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [0,1,0,0,0,0|1,0,2]=4 749 B7R0.2 C=CC(=C)CC(C)=O Amb27668846 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.2 C=CC(=O)CC(C)=O Amb27470884 [0,1,0,0,0,0|2,0,1]=4 751 B7R0.2 C=CC(Br)CC(=C)C Amb27231804 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [0,1,0,0,0,0|1,0,0]=2 753 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [0,1,0,0,0,0|2,0,0]=3 754 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.2 C=CC(C)NC(C)=O Amb27236925 [0,1,0,0,0,0|3,0,0]=4 756 B7R0.2 C=CC(C)NC(O)=S Amb27208910 [0,1,0,0,0,0|2,1,0]=4 757 B7R0.2 C=CC(C)OC(C)=O Amb4016456 [0,1,0,0,0,0|3,0,0]=4 758 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [0,1,0,0,0,0|1,0,0]=2 759 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [0,1,0,0,0,0|1,0,0]=2 760 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [0,1,0,0,0,0|1,0,0]=2 761 B7R0.2 C=CC(O)CC(N)=S Amb27814663 [0,1,0,0,0,0|2,1,0]=4 762 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [0,1,0,0,0,0|1,0,0]=2 763 B7R0.2 C=C[C@@H](C)C[C@@H](C)O Amb28138655 [0,1,0,0,0,0|2,0,1]=4 764 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [0,1,0,0,0,0|1,0,0]=2 765 B7R0.2 C=C[C@@H](O)C[C@H](C)O Amb28318465 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [0,1,0,0,0,0|1,0,0]=2 767 B7R0.2 C=C[C@H](C)C[C@H](C)O Amb27221624 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.2 C=C[C@H](O)CC(=C)C Amb27854005 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.2 C=C\C(C)=C/C(=O)O Amb18641686 [0,1,0,0,0,0|1,0,2]=4 770 B7R0.2 CC(=O)CC(C)C#N Amb18124227 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.2 CC(=O)CC(C)CCl Amb28313530 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.2 CC(=O)CC(C)CN Amb18251072 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.2 CC(=O)CC(N)CO Amb27240210 [0,1,0,0,0,0|1,0,2]=4 774 B7R0.2 CC(=O)CC(O)CCl Amb27827457 [0,1,0,0,0,0|2,0,1]=4 775 B7R0.2 CC(=O)CN(C)N=O Amb27488722 [0,1,0,0,0,0|3,0,0]=4 776 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [0,1,0,0,0,0|1,0,0]=2 777 B7R0.2 CC(=O)C[C@@H](O)CCl Amb27817734 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [0,1,0,0,0,0|1,0,0]=2 779 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [0,1,0,0,0,0|1,0,2]=4 780 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [0,1,0,0,0,0|2,0,0]=3 781 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [0,1,0,0,0,0|2,0,0]=3 783 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [0,1,0,0,0,0|1,0,2]=4 784 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [0,1,0,0,0,0|1,0,2]=4 785 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [0,1,0,0,0,0|1,0,1]=3 786 B7R0.2 CC(C#N)CC(=O)[O-] Amb32952895 [0,1,0,0,0,0|1,0,2]=4 787 B7R0.2 CC(C)CC(C)C=O Amb18641813 [0,1,0,0,0,0|2,0,1]=4 788 B7R0.2 CC(C)CC(O)C=O Amb27250174 [0,1,0,0,0,0|2,0,1]=4 789 B7R0.2 CC(C)C[C@@H](C)C=O Amb27164638 [0,1,0,0,0,0|2,0,1]=4 790 B7R0.2 CC(C)C[C@H](N)C=O Amb26851754 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.2 CC(CC(=O)O)NN Amb28346224 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.2 CC(CC(=O)O)NN Amb33141007 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.2 CC(CCl)CC(=O)Cl Amb27949867 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.2 CC(CF)CC(=O)O Amb25990964 [0,1,0,0,0,0|1,0,1]=3 795 B7R0.2 CC(CN)CC(=O)O Amb18124263 [0,1,0,0,0,0|1,0,1]=3 796 B7R0.2 CC(CN)CC(=O)O Amb20669501 [0,1,0,0,0,0|1,0,1]=3 797 B7R0.2 CC(CN)CC(=O)O Amb32752805 [0,1,0,0,0,0|1,0,1]=3 798 B7R0.2 CC(CN)CC(N)=O Amb18641899 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.2 CC(CO)CC(=O)O Amb18198168 [0,1,0,0,0,0|0,0,2]=3 800 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [0,1,0,0,0,0|0,0,3]=4 801 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [0,1,0,0,0,0|1,0,2]=4 802 B7R0.2 CCC(C)CC(=O)Cl Amb10844649 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.2 CCC(C)CC(=O)O Amb2689581 [0,1,0,0,0,0|1,0,1]=3 804 B7R0.2 CCC(C)CC(C)=O Amb10608208 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.2 CCC(C)CC(N)=O Amb25230669 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.2 CCC(Cl)CC(C)=O Amb28121450 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.2 CCC(N)CC(=O)O Amb1993862 [0,1,0,0,0,0|1,0,1]=3 808 B7R0.2 CCC(N)CC(=O)O Amb8631361 [0,1,0,0,0,0|1,0,1]=3 809 B7R0.2 CCC(N)CC(C)=O Amb18631696 [0,1,0,0,0,0|2,0,1]=4 810 B7R0.2 CCC(N)CC(C)=O Amb26895708 [0,1,0,0,0,0|2,0,1]=4 811 B7R0.2 CCC(N)CC(N)=O Amb25727686 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.2 CCC(O)CC(=O)O Amb10844270 [0,1,0,0,0,0|1,0,1]=3 813 B7R0.2 CCC(O)CC(C)=O Amb25065181 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.2 CCN(C)CC(=O)O Amb33620688 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.2 CCN(C)CC(=O)O Amb8428140 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.2 CCN(O)CC(=O)O Amb28195485 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [0,1,0,0,0,0|1,0,1]=3 819 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [0,1,0,0,0,0|1,0,1]=3 820 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [0,1,0,0,0,0|1,0,1]=3 821 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [0,1,0,0,0,0|1,0,1]=3 822 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [0,1,0,0,0,0|1,0,1]=3 824 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [0,1,0,0,0,0|1,0,1]=3 825 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [0,1,0,0,0,0|1,0,1]=3 826 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [0,1,0,0,0,0|1,0,1]=3 827 B7R0.2 CC[C@H](O)CC(C)=O Amb26980782 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.2 CN(C=O)CB(O)O Amb8392107 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.2 CN(C=O)CC(N)=S Amb27963784 [0,1,0,0,0,0|2,1,0]=4 831 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [0,1,0,0,0,0|2,0,0]=3 832 B7R0.2 CN(CO)CC(=O)O Amb27663224 [0,1,0,0,0,0|1,0,2]=4 833 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [0,1,0,0,0,0|2,0,1]=4 834 B7R0.2 CNC(C)CC(=O)O Amb21959674 [0,1,0,0,0,0|2,0,0]=3 835 B7R0.2 CNC(C)CC(=O)O Amb9398363 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.2 CNC(C)CC(N)=O Amb17231826 [0,1,0,0,0,0|3,0,0]=4 837 B7R0.2 CNC(C)CC(N)=O Amb19960012 [0,1,0,0,0,0|3,0,0]=4 838 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [0,1,0,0,0,0|2,0,0]=3 839 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.2 COC(C)CC(=O)O Amb4001695 [0,1,0,0,0,0|2,0,0]=3 841 B7R0.2 COC(C)CC(C)=O Amb26512071 [0,1,0,0,0,0|3,0,0]=4 842 B7R0.2 COC(C)CC(N)=O Amb27838372 [0,1,0,0,0,0|3,0,0]=4 843 B7R0.2 CON(C)CC(=O)O Amb8010467 [0,1,0,0,0,0|3,0,0]=4 844 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [0,1,0,0,0,0|2,0,0]=3 845 B7R0.2 CO[C@H](C)CC(C)=O Amb26494510 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.2 CSC(C)CC(=O)O Amb18967824 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.2 CSC(C)CC(C)=O Amb25714199 [0,1,0,0,0,0|3,0,0]=4 848 B7R0.2 CSC(C)CC(N)=O Amb27838848 [0,1,0,0,0,0|3,0,0]=4 849 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.2 C[C@@H](CCl)CC(=O)Cl Amb27855839 [0,1,0,0,0,0|2,0,1]=4 851 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [0,1,0,0,0,0|1,0,1]=3 852 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [0,1,0,0,0,0|1,0,1]=3 853 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [0,1,0,0,0,0|1,0,1]=3 854 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [0,1,0,0,0,0|1,0,1]=3 855 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [0,1,0,0,0,0|0,0,2]=3 856 B7R0.2 C\C(=C\Cl)CC(N)=O Amb27391105 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [0,1,0,0,0,0|1,0,2]=4 858 B7R0.2 C\C=C(/C)CC(C)=O Amb28066574 [0,1,0,0,0,0|2,0,1]=4 859 B7R0.2 C\C=C(\C)CC(C)=O Amb27637813 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [0,1,0,0,0,0|1,0,1]=3 861 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [0,1,0,0,0,0|1,0,1]=3 862 B7R0.2 N#CC(N)CC(N)=O Amb24122907 [0,1,0,0,0,0|2,0,1]=4 863 B7R0.2 N#CC(O)CC(N)=O Amb28063048 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [0,1,0,0,0,0|1,0,2]=4 865 B7R0.2 NC(=O)CC(N)CCl Amb26458731 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.2 NC(=O)CC(O)CO Amb25662216 [0,1,0,0,0,0|1,0,2]=4 867 B7R0.2 NC(=O)C[C@@H](O)CCl Amb27173051 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.2 NC(=O)NC(=O)C=O Amb27964563 [0,1,0,0,0,0|2,0,1]=4 870 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [0,1,0,0,0,0|0,0,0]=1 871 B7R0.2 NC(CF)CC(=O)O Amb24428065 [0,1,0,0,0,0|1,0,1]=3 872 B7R0.2 NC(CS)CC(=O)O Amb25090412 [0,1,0,0,0,0|0,1,1]=3 873 B7R0.2 NCC(F)C[PH](=O)O Amb28398603 [0,1,0,0,0,0|2,0,1]=4 874 B7R0.2 NCC(N)CC(=O)O Amb19515145 [0,1,0,0,0,0|1,0,1]=3 875 B7R0.2 NCC(N)CC(=O)O Amb21858324 [0,1,0,0,0,0|1,0,1]=3 876 B7R0.2 NCC(N)CC(N)=O Amb27603845 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.2 NCC(O)CC(=O)O Amb32663899 [0,1,0,0,0,0|1,0,1]=3 878 B7R0.2 NCC(O)CC(=O)O Amb33544754 [0,1,0,0,0,0|1,0,1]=3 879 B7R0.2 NCC(O)CS(=O)O Amb27831981 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [0,1,0,0,0,0|1,0,1]=3 881 B7R0.2 NC[C@@H](F)CS(=O)O Amb27460870 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.2 NC[C@@H](F)C[PH](=O)O Amb24481490 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [0,1,0,0,0,0|1,0,1]=3 884 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [0,1,0,0,0,0|1,0,1]=3 885 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [0,1,0,0,0,0|1,0,1]=3 886 B7R0.2 NC[C@@H](O)CC(N)=O Amb27838875 [0,1,0,0,0,0|2,0,1]=4 887 B7R0.2 NC[C@@H](O)C[PH](=O)O Amb27596096 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.2 NC[C@H](F)C[PH](=O)O Amb27216774 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [0,1,0,0,0,0|1,0,1]=3 890 B7R0.2 NNC(=O)CC(=O)O Amb25073925 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [0,1,0,0,0,0|0,0,2]=3 892 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [0,1,0,0,0,0|0,0,2]=3 893 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [0,1,0,0,0,0|0,0,0]=1 894 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [0,1,0,0,0,0|0,0,2]=3 895 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [0,1,0,0,0,0|0,1,1]=3 896 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [0,1,0,0,0,0|1,0,2]=4 897 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [0,1,0,0,0,0|1,0,2]=4 898 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [0,1,0,0,0,0|1,0,1]=3 899 B7R0.2 O=C(O)CC(O)CF Amb26557587 [0,1,0,0,0,0|1,0,1]=3 900 B7R0.2 O=C(O)CC(O)CO Amb28120003 [0,1,0,0,0,0|0,0,2]=3 901 B7R0.2 O=C(O)CC(O)CS Amb27244674 [0,1,0,0,0,0|0,1,1]=3 902 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [0,1,0,0,0,0|1,0,1]=3 903 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [0,1,0,0,0,0|1,0,1]=3 904 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [0,1,0,0,0,0|1,0,1]=3 905 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [0,1,0,0,0,0|1,0,1]=3 906 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [0,1,0,0,0,0|0,0,2]=3 907 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [0,1,0,0,0,0|1,0,1]=3 908 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [0,1,0,0,0,0|0,0,3]=4 909 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [0,1,0,0,0,0|1,0,0]=2 910 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [0,1,0,0,0,0|0,0,2]=3 911 B7R0.3 C#CC(=C)CCC=O Amb27830103 [0,1,0,0,0,0|2,0,0]=3 912 B7R0.3 C#CC(=O)CCCC Amb28128200 [0,1,0,0,0,0|2,0,1]=4 913 B7R0.3 C#CC(=O)CCCCl Amb27669507 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.3 C#CC(=O)CCCN Amb27631285 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.3 C#CC(=O)CCCO Amb27593195 [0,1,0,0,0,0|1,0,2]=4 916 B7R0.3 C#CC(=O)NCC=C Amb27838413 [0,1,0,0,0,0|3,0,0]=4 917 B7R0.3 C#CC(O)COC=O Amb27835958 [0,1,0,0,0,0|2,0,1]=4 918 B7R0.3 C#CCCC(=O)NN Amb18636071 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.3 C#CCCC(=O)OC Amb18115985 [0,1,0,0,0,0|1,0,1]=3 920 B7R0.3 C#CCCC(O)C=O Amb28246623 [0,1,0,0,0,0|1,0,2]=4 921 B7R0.3 C#CCNC(=O)OC Amb26516332 [0,1,0,0,0,0|2,0,1]=4 922 B7R0.3 C#CCOC(=O)OC Amb27148094 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.3 C=C(C=O)CCC#N Amb17593125 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.3 C=C(C=O)CCCC Amb4025817 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.3 C=C(C=O)CCCO Amb28128165 [0,1,0,0,0,0|1,0,2]=4 926 B7R0.3 C=C(C=O)CCOC Amb27948778 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.3 C=C(C=O)C\C=C\C Amb26441086 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.3 C=C(CC)CCC=O Amb27233336 [0,1,0,0,0,0|2,0,0]=3 929 B7R0.3 C=CC(=O)CCCC Amb25062494 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.3 C=CC(=O)CCCCl Amb24568327 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.3 C=CC(=O)CCOC Amb24744935 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.3 C=CC(=O)CCSC Amb25334636 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.3 C=CC(=O)C\C=C\C Amb26475455 [0,1,0,0,0,0|2,0,1]=4 934 B7R0.3 C=CC(N)CCC=O Amb33036368 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.3 C=CCCC(=N)NO Amb26959869 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.3 C=CCCC(=O)C#N Amb27749803 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.3 C=CCCC(=O)CBr Amb22059627 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.3 C=CCCC(=O)CC Amb9031676 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.3 C=CCCC(=O)CCl Amb22059504 [0,1,0,0,0,0|2,0,0]=3 940 B7R0.3 C=CCCC(=O)CF Amb28074643 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.3 C=CCCC(=O)NC Amb25041195 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.3 C=CCCC(=O)NN Amb27775332 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.3 C=CCCC(=O)NN Amb27831946 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.3 C=CCCC(=O)NO Amb28205003 [0,1,0,0,0,0|1,0,0]=2 945 B7R0.3 C=CCCC(=O)OC Amb2369959 [0,1,0,0,0,0|1,0,0]=2 946 B7R0.3 C=CCCC(C)C=O Amb25100921 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.3 C=CCCC(C)CO Amb27760347 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.3 C=CCCC(N)CO Amb33532619 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.3 C=CCCC(O)C=C Amb27406053 [0,1,0,0,0,0|2,0,1]=4 950 B7R0.3 C=CCCC(O)C=O Amb27863605 [0,1,0,0,0,0|1,0,1]=3 951 B7R0.3 C=CCCC(O)CC Amb22052608 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.3 C=CCCC(O)CN Amb8630191 [0,1,0,0,0,0|2,0,1]=4 953 B7R0.3 C=CCCC(O)CO Amb10071251 [0,1,0,0,0,0|1,0,2]=4 954 B7R0.3 C=CCCN(C)C=O Amb28126048 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.3 C=CCCN(C)OC Amb27837936 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.3 C=CCC[C@@H](O)CO Amb27405919 [0,1,0,0,0,0|1,0,2]=4 957 B7R0.3 C=CCC[C@H](C)C=O Amb27799770 [0,1,0,0,0,0|2,0,1]=4 958 B7R0.3 C=CCC[C@H](N)CO Amb27390564 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.3 C=CCC[C@H](O)C=C Amb27653189 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.3 C=CCC[C@H](O)CC Amb27946057 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.3 C=CCC\C(C)=N/N Amb27595313 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.3 C=CCNC(=O)C=C Amb9480567 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.3 C=CCNC(=O)CBr Amb2089072 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.3 C=CCNC(=O)CCl Amb1151297 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.3 C=CCNC(=O)CI Amb26023441 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.3 C=CCNC(=O)CN Amb21958702 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.3 C=CCNC(=O)CN Amb5783027 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.3 C=CCNC(=O)CO Amb33531863 [0,1,0,0,0,0|2,0,0]=3 969 B7R0.3 C=CCNC(=O)NN Amb18559722 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.3 C=CCNC(=O)NO Amb28134073 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.3 C=CCNC(=O)OC Amb17794125 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.3 C=CCNC(=S)NO Amb27225513 [0,1,0,0,0,0|2,1,0]=4 973 B7R0.3 C=CCNC(=S)OC Amb28250523 [0,1,0,0,0,0|2,1,0]=4 974 B7R0.3 C=CCOC(=O)C=C Amb4034462 [0,1,0,0,0,0|3,0,0]=4 975 B7R0.3 C=CCOC(=O)CC Amb22050537 [0,1,0,0,0,0|3,0,0]=4 976 B7R0.3 C=CCOC(=O)CCl Amb8515844 [0,1,0,0,0,0|3,0,0]=4 977 B7R0.3 C=CCOC(=O)CI Amb26593247 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.3 C=CCOC(=O)CN Amb18641828 [0,1,0,0,0,0|3,0,0]=4 979 B7R0.3 C=CCOC(=O)CN Amb33734248 [0,1,0,0,0,0|3,0,0]=4 980 B7R0.3 C=CCOC(=O)CS Amb27815024 [0,1,0,0,0,0|2,1,0]=4 981 B7R0.3 C=CCOC(=O)OC Amb8515646 [0,1,0,0,0,0|2,0,0]=3 982 B7R0.3 C=CCSC(=O)CC Amb22043318 [0,1,0,0,0,0|3,0,0]=4 983 B7R0.3 C=CC\C=C(/C)C=O Amb18123725 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.3 C=CC\C=C(/Cl)CO Amb27806456 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.3 C=C[C@@H](C)CCC=O Amb25025116 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.3 C=C\C=C\C(=O)OC Amb22350484 [0,1,0,0,0,0|1,0,2]=4 987 B7R0.3 CC#CCC(=O)OC Amb6336504 [0,1,0,0,0,0|1,0,2]=4 988 B7R0.3 CC(CO)CNC=O Amb27482480 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.3 CC=C=CC(=O)OC Amb26575881 [0,1,0,0,0,0|1,0,2]=4 990 B7R0.3 CCC(=O)CCC#N Amb25321503 [0,1,0,0,0,0|2,0,1]=4 991 B7R0.3 CCC(=O)CCCBr Amb25765636 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.3 CCC(=O)CCCCl Amb17593423 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.3 CCC(=O)CCCN Amb18833012 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.3 CCC(=O)CCNC Amb27963044 [0,1,0,0,0,0|3,0,0]=4 995 B7R0.3 CCC(=O)CCSC Amb25680024 [0,1,0,0,0,0|3,0,0]=4 996 B7R0.3 CCC(=O)C\C=C\Cl Amb28349318 [0,1,0,0,0,0|2,0,1]=4 997 B7R0.3 CCC(=O)NCC=O Amb17102054 [0,1,0,0,0,0|2,0,0]=3 998 B7R0.3 CCC(=O)NNC=O Amb27835377 [0,1,0,0,0,0|3,0,0]=4 999 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [0,1,0,0,0,0|1,0,2]=4 1000 B7R0.3 CCC(Cl)CCC=O Amb27637733 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.3 CCC(N)CCC=O Amb33036216 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.3 CCCCC(=N)OC Amb17617956 [0,1,0,0,0,0|2,0,1]=4 1003 B7R0.3 CCCCC(=N)OC Amb25353357 [0,1,0,0,0,0|2,0,1]=4 1004 B7R0.3 CCCCC(=O)C#N Amb22729179 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.3 CCCCC(=O)CBr Amb24563421 [0,1,0,0,0,0|2,0,1]=4 1006 B7R0.3 CCCCC(=O)CC Amb4605999 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.3 CCCCC(=O)CCl Amb17593420 [0,1,0,0,0,0|2,0,1]=4 1008 B7R0.3 CCCCC(=O)CN Amb24473062 [0,1,0,0,0,0|2,0,1]=4 1009 B7R0.3 CCCCC(=O)CO Amb26073501 [0,1,0,0,0,0|1,0,1]=3 1010 B7R0.3 CCCCC(=O)NC Amb5797766 [0,1,0,0,0,0|2,0,1]=4 1011 B7R0.3 CCCCC(=O)NN Amb534136 [0,1,0,0,0,0|2,0,1]=4 1012 B7R0.3 CCCCC(=O)NO Amb6269796 [0,1,0,0,0,0|1,0,1]=3 1013 B7R0.3 CCCC\C(Cl)=N\O Amb28397410 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.3 CCCC\C(N)=N/O Amb2696577 [0,1,0,0,0,0|2,0,1]=4 1015 B7R0.3 CCCC\C(N)=N\O Amb8391665 [0,1,0,0,0,0|2,0,1]=4 1016 B7R0.3 CCCNC(=O)CO Amb5798169 [0,1,0,0,0,0|2,0,1]=4 1017 B7R0.3 CCCOC(=O)CO Amb25964379 [0,1,0,0,0,0|2,0,1]=4 1018 B7R0.3 CCCOC(=O)OC Amb27153532 [0,1,0,0,0,0|2,0,1]=4 1019 B7R0.3 CCNCC(=O)NO Amb27755137 [0,1,0,0,0,0|2,0,1]=4 1020 B7R0.3 CCNCC(=O)OC Amb19514718 [0,1,0,0,0,0|2,0,1]=4 1021 B7R0.3 CCNCC(=O)OC Amb6687125 [0,1,0,0,0,0|2,0,1]=4 1022 B7R0.3 CCOCC(=O)CO Amb28066809 [0,1,0,0,0,0|2,0,1]=4 1023 B7R0.3 CCOCC(=O)OC Amb7753022 [0,1,0,0,0,0|2,0,1]=4 1024 B7R0.3 CCSCC(=O)OC Amb7753193 [0,1,0,0,0,0|2,0,1]=4 1025 B7R0.3 CC[C@@H](C)CCC=O Amb27949584 [0,1,0,0,0,0|2,0,1]=4 1026 B7R0.3 CN(CCC=O)N=O Amb17617679 [0,1,0,0,0,0|2,0,0]=3 1027 B7R0.3 CNC(=O)CCC#N Amb17334052 [0,1,0,0,0,0|2,0,1]=4 1028 B7R0.3 CNC(=O)CCCCl Amb1137464 [0,1,0,0,0,0|2,0,1]=4 1029 B7R0.3 CNC(=O)CCCI Amb27625606 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.3 CNC(=O)CCCN Amb6263864 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.3 CNC(=O)CCCN Amb9176288 [0,1,0,0,0,0|2,0,1]=4 1032 B7R0.3 CNC(=O)CCCO Amb17231829 [0,1,0,0,0,0|1,0,2]=4 1033 B7R0.3 CNC(=O)CCCS Amb27259921 [0,1,0,0,0,0|1,1,1]=4 1034 B7R0.3 CNC(=O)CCNN Amb26936043 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.3 CNC(=O)CCOC Amb27655430 [0,1,0,0,0,0|3,0,0]=4 1036 B7R0.3 CNCCC(=N)OC Amb28411188 [0,1,0,0,0,0|3,0,0]=4 1037 B7R0.3 CNCCC(=O)NC Amb19959924 [0,1,0,0,0,0|3,0,0]=4 1038 B7R0.3 CNCCC(=O)NC Amb8428200 [0,1,0,0,0,0|3,0,0]=4 1039 B7R0.3 CNCCC(=O)NN Amb28143068 [0,1,0,0,0,0|3,0,0]=4 1040 B7R0.3 CNCCC(=O)NO Amb27763537 [0,1,0,0,0,0|2,0,0]=3 1041 B7R0.3 CNCCC(=O)OC Amb22168213 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.3 CNCCC(=O)OC Amb7969878 [0,1,0,0,0,0|2,0,0]=3 1043 B7R0.3 CNCC\C(N)=N/O Amb19981296 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.3 CNCC\C(N)=N\O Amb22410480 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.3 CNOCC(=O)OC Amb32662920 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.3 CNOCC(=O)OC Amb33067971 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.3 COC(=N)CCC#N Amb17593155 [0,1,0,0,0,0|2,0,1]=4 1048 B7R0.3 COC(=N)CCCCl Amb16231406 [0,1,0,0,0,0|2,0,1]=4 1049 B7R0.3 COC(=N)CCCCl Amb27631457 [0,1,0,0,0,0|2,0,1]=4 1050 B7R0.3 COC(=N)CCCS Amb27628992 [0,1,0,0,0,0|1,1,1]=4 1051 B7R0.3 COC(=O)C#CC=O Amb27441102 [0,1,0,0,0,0|0,0,2]=3 1052 B7R0.3 COC(=O)CCC#N Amb2689406 [0,1,0,0,0,0|1,0,1]=3 1053 B7R0.3 COC(=O)CCC=O Amb18124259 [0,1,0,0,0,0|0,0,0]=1 1054 B7R0.3 COC(=O)CCCBr Amb8516943 [0,1,0,0,0,0|1,0,1]=3 1055 B7R0.3 COC(=O)CCCCl Amb3940271 [0,1,0,0,0,0|1,0,1]=3 1056 B7R0.3 COC(=O)CCCI Amb3941711 [0,1,0,0,0,0|1,0,1]=3 1057 B7R0.3 COC(=O)CCCN Amb402626 [0,1,0,0,0,0|1,0,1]=3 1058 B7R0.3 COC(=O)CCCS Amb19373761 [0,1,0,0,0,0|0,1,1]=3 1059 B7R0.3 COC(=O)CCC[NH3+] Amb2778689 [0,1,0,0,0,0|1,0,1]=3 1060 B7R0.3 COC(=O)CCON Amb29848091 [0,1,0,0,0,0|2,0,0]=3 1061 B7R0.3 COC(=O)CCSC Amb8393179 [0,1,0,0,0,0|2,0,0]=3 1062 B7R0.3 COC(=O)CN=C=O Amb3905407 [0,1,0,0,0,0|1,0,1]=3 1063 B7R0.3 COC(=O)CN=C=S Amb2371376 [0,1,0,0,0,0|1,1,1]=4 1064 B7R0.3 COC(=O)CN=[N+]=[N-] Amb1101953 [0,1,0,0,0,0|3,0,0]=4 1065 B7R0.3 COC(=O)CNC=O Amb22000868 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.3 COC(=O)CNC=S Amb27839121 [0,1,0,0,0,0|1,1,0]=3 1067 B7R0.3 COC(=O)CSCBr Amb28458464 [0,1,0,0,0,0|2,0,1]=4 1068 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [0,1,0,0,0,0|1,0,1]=3 1069 B7R0.3 COC(=O)NCC=O Amb27839038 [0,1,0,0,0,0|1,0,0]=2 1070 B7R0.3 COC(=O)NCCN Amb18970459 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.3 COC(=O)NCCN Amb28934803 [0,1,0,0,0,0|2,0,1]=4 1072 B7R0.3 COC(=O)NCCO Amb9285601 [0,1,0,0,0,0|1,0,2]=4 1073 B7R0.3 COC(=O)NCSC Amb28398191 [0,1,0,0,0,0|3,0,0]=4 1074 B7R0.3 COC(=O)OCC=O Amb28208420 [0,1,0,0,0,0|1,0,0]=2 1075 B7R0.3 COC(=O)OCCBr Amb27228663 [0,1,0,0,0,0|2,0,1]=4 1076 B7R0.3 COC(=O)SCCCl Amb27640237 [0,1,0,0,0,0|2,0,1]=4 1077 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [0,1,0,0,0,0|0,0,2]=3 1078 B7R0.3 COC(C)CCC=O Amb25917630 [0,1,0,0,0,0|1,0,1]=3 1079 B7R0.3 COCCC(=O)CCl Amb20622320 [0,1,0,0,0,0|3,0,0]=4 1080 B7R0.3 COCCC(=O)CN Amb26515688 [0,1,0,0,0,0|3,0,0]=4 1081 B7R0.3 COCCC(=O)NN Amb2689273 [0,1,0,0,0,0|3,0,0]=4 1082 B7R0.3 COCCC(=O)OC Amb6296150 [0,1,0,0,0,0|2,0,0]=3 1083 B7R0.3 COCC\C(N)=C\O Amb28364926 [0,1,0,0,0,0|3,0,0]=4 1084 B7R0.3 COCC\C(N)=N/O Amb19890177 [0,1,0,0,0,0|3,0,0]=4 1085 B7R0.3 COCC\C(N)=N/O Amb2696139 [0,1,0,0,0,0|3,0,0]=4 1086 B7R0.3 COCC\C(N)=N\O Amb22490466 [0,1,0,0,0,0|3,0,0]=4 1087 B7R0.3 COCC\C(N)=N\O Amb8384548 [0,1,0,0,0,0|3,0,0]=4 1088 B7R0.3 COCNC(=O)OC Amb27253203 [0,1,0,0,0,0|3,0,0]=4 1089 B7R0.3 CO[C@@H](C)CNC=O Amb35605354 [0,1,0,0,0,0|2,0,1]=4 1090 B7R0.3 CO[C@H](C)CNC=O Amb35605356 [0,1,0,0,0,0|2,0,1]=4 1091 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [0,1,0,0,0,0|1,0,1]=3 1092 B7R0.3 CSC(=O)CCCCl Amb27249585 [0,1,0,0,0,0|1,1,1]=4 1093 B7R0.3 CSCCC(=O)CCl Amb25910902 [0,1,0,0,0,0|3,0,0]=4 1094 B7R0.3 CSCCC(=O)CF Amb28316167 [0,1,0,0,0,0|3,0,0]=4 1095 B7R0.3 CSCCC(=O)CN Amb33199125 [0,1,0,0,0,0|3,0,0]=4 1096 B7R0.3 CSCC\C(N)=N\O Amb25127504 [0,1,0,0,0,0|3,0,0]=4 1097 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [0,1,0,0,0,0|1,0,1]=3 1098 B7R0.3 C\C(CCCO)=N/O Amb28207168 [0,1,0,0,0,0|1,0,2]=4 1099 B7R0.3 C\C=C\CC(=N)NO Amb26582540 [0,1,0,0,0,0|2,0,1]=4 1100 B7R0.3 C\C=C\CC(=N)OC Amb28058157 [0,1,0,0,0,0|2,0,1]=4 1101 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [0,1,0,0,0,0|1,0,1]=3 1102 B7R0.3 C\C=C\NC(=O)OC Amb27838402 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.3 N#CC(=O)CCCCl Amb28410737 [0,1,0,0,0,0|2,0,1]=4 1104 B7R0.3 N#CCCC(=O)C#N Amb28049016 [0,1,0,0,0,0|2,0,1]=4 1105 B7R0.3 N#CCCC(=O)C=O Amb27792293 [0,1,0,0,0,0|1,0,2]=4 1106 B7R0.3 N#CCCC(=O)CN Amb27240440 [0,1,0,0,0,0|2,0,1]=4 1107 B7R0.3 NCC(O)CCC=O Amb27855481 [0,1,0,0,0,0|1,0,1]=3 1108 B7R0.3 NCCCC(=O)NN Amb18061734 [0,1,0,0,0,0|2,0,1]=4 1109 B7R0.3 NCCC\C(N)=N\O Amb25889843 [0,1,0,0,0,0|2,0,1]=4 1110 B7R0.3 NNC(=O)CCCCl Amb9818914 [0,1,0,0,0,0|2,0,1]=4 1111 B7R0.3 NNC(=O)CCCO Amb535400 [0,1,0,0,0,0|1,0,2]=4 1112 B7R0.3 NNC(=O)CCNO Amb25128022 [0,1,0,0,0,0|2,0,1]=4 1113 B7R0.3 NNC(=O)CNC=O Amb28364902 [0,1,0,0,0,0|2,0,0]=3 1114 B7R0.3 N\C(CCCBr)=N/O Amb4297023 [0,1,0,0,0,0|2,0,1]=4 1115 B7R0.3 O=C(CBr)CCCBr Amb27153779 [0,1,0,0,0,0|2,0,1]=4 1116 B7R0.3 O=C(CBr)CCCCl Amb27875989 [0,1,0,0,0,0|2,0,1]=4 1117 B7R0.3 O=C(CCCCl)NO Amb28061167 [0,1,0,0,0,0|1,0,1]=3 1118 B7R0.3 O=C(CCCF)NO Amb28185008 [0,1,0,0,0,0|1,0,1]=3 1119 B7R0.3 O=C(CCl)CCCBr Amb22395325 [0,1,0,0,0,0|2,0,1]=4 1120 B7R0.3 O=C(CCl)CCCCl Amb22395285 [0,1,0,0,0,0|2,0,1]=4 1121 B7R0.3 O=C(CO)CCCO Amb27227084 [0,1,0,0,0,0|0,0,2]=3 1122 B7R0.3 O=C(CO)NCCO Amb5798091 [0,1,0,0,0,0|1,0,2]=4 1123 B7R0.3 O=C(CO)OCCF Amb28049311 [0,1,0,0,0,0|2,0,1]=4 1124 B7R0.3 O=CC(=O)CCCO Amb27751348 [0,1,0,0,0,0|0,0,3]=4 1125 B7R0.3 O=CCCC(=O)CO Amb27799816 [0,1,0,0,0,0|0,0,0]=1 1126 B7R0.3 O=CCCC(Cl)C=O Amb27232955 [0,1,0,0,0,0|1,0,1]=3 1127 B7R0.3 O=CCC\C(Cl)=N\O Amb27751320 [0,1,0,0,0,0|1,0,0]=2 1128 B7R0.3 O=CC\C=C(/Cl)C=O Amb27401185 [0,1,0,0,0,0|1,0,1]=3 1129 B7R0.3 O=C[C@H](O)CCCO Amb27164637 [0,1,0,0,0,0|0,0,3]=4 1130 B7R0.3 O=C\C=C\C(=O)C=O Amb27440015 [0,1,0,0,0,0|0,0,3]=4 1131 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [0,1,0,0,0,0|0,0,2]=3 1132 B7R0.3 [C-]#[N+]CCC(=O)OC Amb2689499 [0,1,0,0,0,0|2,0,0]=3 1133 B7R0.4 C#CCCCC(=O)Cl Amb2688725 [0,1,0,0,0,0|2,0,1]=4 1134 B7R0.4 C#CCCCC(=O)O Amb2721705 [0,1,0,0,0,0|1,0,1]=3 1135 B7R0.4 C#CCCCC(C)=O Amb18115312 [0,1,0,0,0,0|2,0,1]=4 1136 B7R0.4 C#CCCCC(N)=O Amb27590599 [0,1,0,0,0,0|2,0,1]=4 1137 B7R0.4 C#CCCNC(C)=O Amb21942373 [0,1,0,0,0,0|2,0,1]=4 1138 B7R0.4 C#CCCNC(N)=O Amb26993283 [0,1,0,0,0,0|2,0,1]=4 1139 B7R0.4 C#CCCOC(=O)Cl Amb22360631 [0,1,0,0,0,0|2,0,1]=4 1140 B7R0.4 C#CCCOC(N)=O Amb28364943 [0,1,0,0,0,0|2,0,1]=4 1141 B7R0.4 C#CCNCC(=O)O Amb33551387 [0,1,0,0,0,0|1,0,1]=3 1142 B7R0.4 C#CCNCC(=O)O Amb6740302 [0,1,0,0,0,0|1,0,1]=3 1143 B7R0.4 C#CCOCC(=O)O Amb9208655 [0,1,0,0,0,0|1,0,1]=3 1144 B7R0.4 C#CCOCC(C)=O Amb3987398 [0,1,0,0,0,0|2,0,1]=4 1145 B7R0.4 C#CCSCC(=O)O Amb2372297 [0,1,0,0,0,0|1,0,1]=3 1146 B7R0.4 C=C(C)CC#CC=O Amb28316110 [0,1,0,0,0,0|2,0,1]=4 1147 B7R0.4 C=C(C)CCN=C=O Amb33199902 [0,1,0,0,0,0|2,0,1]=4 1148 B7R0.4 C=C(C)CCNC=O Amb27228134 [0,1,0,0,0,0|2,0,0]=3 1149 B7R0.4 C=C(C)CC\C=C\C Amb25746764 [0,1,0,0,0,0|3,0,0]=4 1150 B7R0.4 C=C(C)COCC=O Amb27949608 [0,1,0,0,0,0|2,0,0]=3 1151 B7R0.4 C=C(C)CONC=O Amb27620967 [0,1,0,0,0,0|3,0,0]=4 1152 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [0,1,0,0,0,0|2,0,1]=4 1153 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [0,1,0,0,0,0|2,0,0]=3 1154 B7R0.4 C=C=CCCC(C)=O Amb28315801 [0,1,0,0,0,0|2,0,0]=3 1155 B7R0.4 C=C=CSCC(=O)O Amb27812092 [0,1,0,0,0,0|2,0,0]=3 1156 B7R0.4 C=CC#CCC(=O)O Amb27162652 [0,1,0,0,0,0|1,0,1]=3 1157 B7R0.4 C=CCC#CC(=O)O Amb28252724 [0,1,0,0,0,0|1,0,1]=3 1158 B7R0.4 C=CCCC=C(C)C Amb25789441 [0,1,0,0,0,0|3,0,0]=4 1159 B7R0.4 C=CCCCB(O)O Amb22169115 [0,1,0,0,0,0|2,0,1]=4 1160 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [0,1,0,0,0,0|2,0,0]=3 1161 B7R0.4 C=CCCCC(=O)O Amb3941675 [0,1,0,0,0,0|1,0,0]=2 1162 B7R0.4 C=CCCCC(C)=O Amb17593171 [0,1,0,0,0,0|2,0,0]=3 1163 B7R0.4 C=CCCCC(C)O Amb22059432 [0,1,0,0,0,0|2,0,1]=4 1164 B7R0.4 C=CCCNC(N)=O Amb25789999 [0,1,0,0,0,0|2,0,0]=3 1165 B7R0.4 C=CCCOC(=O)Cl Amb10844792 [0,1,0,0,0,0|2,0,0]=3 1166 B7R0.4 C=CCCOC(C)=O Amb3940828 [0,1,0,0,0,0|2,0,0]=3 1167 B7R0.4 C=CCCSC(C)=O Amb24117956 [0,1,0,0,0,0|2,0,0]=3 1168 B7R0.4 C=CCNCC(=C)Br Amb10585861 [0,1,0,0,0,0|3,0,0]=4 1169 B7R0.4 C=CCNCC(=C)Br Amb22279683 [0,1,0,0,0,0|3,0,0]=4 1170 B7R0.4 C=CCNCC(=C)C Amb17308750 [0,1,0,0,0,0|3,0,0]=4 1171 B7R0.4 C=CCNCC(=O)O Amb7766404 [0,1,0,0,0,0|1,0,0]=2 1172 B7R0.4 C=CCNCC(=O)O Amb8631497 [0,1,0,0,0,0|1,0,0]=2 1173 B7R0.4 C=CCNCC(C)O Amb17138365 [0,1,0,0,0,0|2,0,1]=4 1174 B7R0.4 C=CCNCC(N)=O Amb6706481 [0,1,0,0,0,0|2,0,0]=3 1175 B7R0.4 C=CCNC[C@H](C)O Amb27950182 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.4 C=CCOCC(=C)C Amb26398441 [0,1,0,0,0,0|3,0,0]=4 1177 B7R0.4 C=CCOCC(=O)O Amb9208694 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.4 C=CCOCC(C)=O Amb27829146 [0,1,0,0,0,0|2,0,0]=3 1179 B7R0.4 C=CCOCC(C)O Amb22733640 [0,1,0,0,0,0|2,0,1]=4 1180 B7R0.4 C=CCOCC(N)=O Amb26859258 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.4 C=CCOC[C@@H](C)O Amb27780603 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.4 C=CCONC(N)=O Amb2899787 [0,1,0,0,0,0|3,0,0]=4 1183 B7R0.4 C=CCSCC(=C)C Amb28127803 [0,1,0,0,0,0|3,0,0]=4 1184 B7R0.4 C=CCSCC(=C)Cl Amb28291799 [0,1,0,0,0,0|3,0,0]=4 1185 B7R0.4 C=CCSCC(=N)N Amb27771815 [0,1,0,0,0,0|3,0,0]=4 1186 B7R0.4 C=CCSCC(=O)O Amb33526723 [0,1,0,0,0,0|1,0,0]=2 1187 B7R0.4 C=CCSCC(C)O Amb28065376 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.4 C=CCSC[C@H](C)O Amb27220310 [0,1,0,0,0,0|2,0,1]=4 1189 B7R0.4 C=CNCCC(=O)O Amb27429817 [0,1,0,0,0,0|1,0,0]=2 1190 B7R0.4 C=COCCC(=O)O Amb28350126 [0,1,0,0,0,0|1,0,0]=2 1191 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [0,1,0,0,0,0|1,0,1]=3 1192 B7R0.4 CC#CCCC(=O)O Amb3987196 [0,1,0,0,0,0|1,0,1]=3 1193 B7R0.4 CC(=O)CCCC#N Amb17106756 [0,1,0,0,0,0|2,0,1]=4 1194 B7R0.4 CC(=O)CCCCBr Amb16234126 [0,1,0,0,0,0|2,0,1]=4 1195 B7R0.4 CC(=O)CCCCCl Amb3941549 [0,1,0,0,0,0|2,0,1]=4 1196 B7R0.4 CC(=O)CCCCF Amb27490855 [0,1,0,0,0,0|2,0,1]=4 1197 B7R0.4 CC(=O)CCCCN Amb27401218 [0,1,0,0,0,0|2,0,1]=4 1198 B7R0.4 CC(=O)CCCCO Amb10603864 [0,1,0,0,0,0|1,0,2]=4 1199 B7R0.4 CC(=O)CCN=[N+]=[N-] Amb18522048 [0,1,0,0,0,0|3,0,0]=4 1200 B7R0.4 CC(=O)CCSC#N Amb28062990 [0,1,0,0,0,0|2,0,1]=4 1201 B7R0.4 CC(=O)CC\C=N\O Amb27656180 [0,1,0,0,0,0|1,0,1]=3 1202 B7R0.4 CC(=O)COCCCl Amb25346574 [0,1,0,0,0,0|2,0,1]=4 1203 B7R0.4 CC(=O)COCCF Amb27463527 [0,1,0,0,0,0|2,0,1]=4 1204 B7R0.4 CC(=O)COCCO Amb28122841 [0,1,0,0,0,0|1,0,2]=4 1205 B7R0.4 CC(=O)CSCCF Amb24621173 [0,1,0,0,0,0|2,0,1]=4 1206 B7R0.4 CC(=O)CSCCN Amb17500454 [0,1,0,0,0,0|2,0,1]=4 1207 B7R0.4 CC(=O)CSCCO Amb4165952 [0,1,0,0,0,0|1,0,2]=4 1208 B7R0.4 CC(=O)CS\C=N\O Amb27973055 [0,1,0,0,0,0|2,0,1]=4 1209 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [0,1,0,0,0,0|1,0,1]=3 1210 B7R0.4 CC(=O)NCCC#N Amb5787037 [0,1,0,0,0,0|2,0,1]=4 1211 B7R0.4 CC(=O)NCCC=O Amb17102165 [0,1,0,0,0,0|1,0,0]=2 1212 B7R0.4 CC(=O)NCCCBr Amb8826231 [0,1,0,0,0,0|2,0,1]=4 1213 B7R0.4 CC(=O)NCCCCl Amb3886559 [0,1,0,0,0,0|2,0,1]=4 1214 B7R0.4 CC(=O)NCCCN Amb10610286 [0,1,0,0,0,0|2,0,1]=4 1215 B7R0.4 CC(=O)NCCCN Amb6664982 [0,1,0,0,0,0|2,0,1]=4 1216 B7R0.4 CC(=O)NCCCO Amb3429354 [0,1,0,0,0,0|1,0,2]=4 1217 B7R0.4 CC(=O)NCCNN Amb24117179 [0,1,0,0,0,0|3,0,0]=4 1218 B7R0.4 CC(=O)NCCON Amb17138368 [0,1,0,0,0,0|3,0,0]=4 1219 B7R0.4 CC(=O)OCCCBr Amb26515737 [0,1,0,0,0,0|2,0,1]=4 1220 B7R0.4 CC(=O)OCCCCl Amb3940269 [0,1,0,0,0,0|2,0,1]=4 1221 B7R0.4 CC(=O)OCCCO Amb25854267 [0,1,0,0,0,0|1,0,2]=4 1222 B7R0.4 CC(=O)OCCCS Amb4018773 [0,1,0,0,0,0|1,1,1]=4 1223 B7R0.4 CC(=O)OCCNN Amb27769313 [0,1,0,0,0,0|3,0,0]=4 1224 B7R0.4 CC(=O)OC\C=C/Br Amb26652075 [0,1,0,0,0,0|2,0,1]=4 1225 B7R0.4 CC(=O)OC\C=C/Cl Amb27843145 [0,1,0,0,0,0|2,0,1]=4 1226 B7R0.4 CC(=O)OC\C=C\Br Amb27467221 [0,1,0,0,0,0|2,0,1]=4 1227 B7R0.4 CC(=O)SCCC#N Amb22351951 [0,1,0,0,0,0|2,0,1]=4 1228 B7R0.4 CC(=O)SCCC=O Amb25101351 [0,1,0,0,0,0|1,0,0]=2 1229 B7R0.4 CC(=O)SCCCBr Amb17610077 [0,1,0,0,0,0|2,0,1]=4 1230 B7R0.4 CC(=O)SCCCCl Amb3940270 [0,1,0,0,0,0|2,0,1]=4 1231 B7R0.4 CC(C)=CCCC=O Amb17593168 [0,1,0,0,0,0|2,0,0]=3 1232 B7R0.4 CC(C)=CCNC=O Amb27838354 [0,1,0,0,0,0|2,0,1]=4 1233 B7R0.4 CC(C)CCCC=O Amb17940235 [0,1,0,0,0,0|2,0,1]=4 1234 B7R0.4 CC(C)CCNC=O Amb27460935 [0,1,0,0,0,0|2,0,1]=4 1235 B7R0.4 CC(C)OCCC=O Amb26443003 [0,1,0,0,0,0|2,0,1]=4 1236 B7R0.4 CC(Cl)CCCC=O Amb27983674 [0,1,0,0,0,0|2,0,1]=4 1237 B7R0.4 CC(O)CCCC=O Amb18641887 [0,1,0,0,0,0|1,0,1]=3 1238 B7R0.4 CC(O)CCOP=O Amb27443310 [0,1,0,0,0,0|2,0,1]=4 1239 B7R0.4 CC(O)CCO[PH2]=O Amb27594830 [0,1,0,0,0,0|2,0,1]=4 1240 B7R0.4 CC(O)CC\C=C\Cl Amb27878569 [0,1,0,0,0,0|2,0,1]=4 1241 B7R0.4 CCC#CCC(=O)O Amb26515701 [0,1,0,0,0,0|1,0,2]=4 1242 B7R0.4 CCCC#CC(=O)O Amb2721706 [0,1,0,0,0,0|1,0,2]=4 1243 B7R0.4 CCCCCC(=O)F Amb26061517 [0,1,0,0,0,0|2,0,1]=4 1244 B7R0.4 CCCCCC(=O)O Amb3939846 [0,1,0,0,0,0|1,0,1]=3 1245 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [0,1,0,0,0,0|1,0,2]=4 1246 B7R0.4 CCCCCC(C)=O Amb6608885 [0,1,0,0,0,0|2,0,1]=4 1247 B7R0.4 CCCCNC(=O)Cl Amb24574309 [0,1,0,0,0,0|2,0,1]=4 1248 B7R0.4 CCCCNC(C)=O Amb5835711 [0,1,0,0,0,0|2,0,1]=4 1249 B7R0.4 CCCCNC(N)=O Amb6663202 [0,1,0,0,0,0|2,0,1]=4 1250 B7R0.4 CCCCOC(=O)Cl Amb6608833 [0,1,0,0,0,0|2,0,1]=4 1251 B7R0.4 CCCCOC(C)=O Amb6608782 [0,1,0,0,0,0|2,0,1]=4 1252 B7R0.4 CCCCOC(N)=O Amb4136361 [0,1,0,0,0,0|2,0,1]=4 1253 B7R0.4 CCCCO[PH](=O)O Amb26035392 [0,1,0,0,0,0|2,0,1]=4 1254 B7R0.4 CCCCSC(=O)Cl Amb22352826 [0,1,0,0,0,0|2,0,1]=4 1255 B7R0.4 CCCNCC(=O)O Amb10609640 [0,1,0,0,0,0|1,0,1]=3 1256 B7R0.4 CCCNCC(=O)O Amb1110628 [0,1,0,0,0,0|1,0,1]=3 1257 B7R0.4 CCCNCC(C)=O Amb26954588 [0,1,0,0,0,0|2,0,1]=4 1258 B7R0.4 CCCNCC(N)=O Amb1124632 [0,1,0,0,0,0|2,0,1]=4 1259 B7R0.4 CCCNCC(N)=O Amb28934788 [0,1,0,0,0,0|2,0,1]=4 1260 B7R0.4 CCCOCC(=O)Cl Amb27260778 [0,1,0,0,0,0|2,0,1]=4 1261 B7R0.4 CCCOCC(=O)O Amb8874504 [0,1,0,0,0,0|1,0,1]=3 1262 B7R0.4 CCCOCC(N)=O Amb27844884 [0,1,0,0,0,0|2,0,1]=4 1263 B7R0.4 CCCSCC(=O)O Amb1137113 [0,1,0,0,0,0|1,0,1]=3 1264 B7R0.4 CCCSCC(C)=O Amb9668676 [0,1,0,0,0,0|2,0,1]=4 1265 B7R0.4 CCCSCC(N)=O Amb27424658 [0,1,0,0,0,0|2,0,1]=4 1266 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [0,1,0,0,0,0|1,0,2]=4 1267 B7R0.4 CCNCCC(=O)O Amb28934794 [0,1,0,0,0,0|1,0,1]=3 1268 B7R0.4 CCNCCC(=O)O Amb7766402 [0,1,0,0,0,0|1,0,1]=3 1269 B7R0.4 CCNCCC(C)=O Amb18641851 [0,1,0,0,0,0|2,0,1]=4 1270 B7R0.4 CCNCCC(N)=O Amb33533384 [0,1,0,0,0,0|2,0,1]=4 1271 B7R0.4 CCNCCC(N)=O Amb35749820 [0,1,0,0,0,0|2,0,1]=4 1272 B7R0.4 CCNNCC(=O)O Amb28326075 [0,1,0,0,0,0|2,0,1]=4 1273 B7R0.4 CCOCCC(=O)Cl Amb20672027 [0,1,0,0,0,0|2,0,1]=4 1274 B7R0.4 CCOCCC(=O)O Amb3939859 [0,1,0,0,0,0|1,0,1]=3 1275 B7R0.4 CCOCCC(C)=O Amb7764636 [0,1,0,0,0,0|2,0,1]=4 1276 B7R0.4 CCSCCC(=O)O Amb6273140 [0,1,0,0,0,0|1,0,1]=3 1277 B7R0.4 CCSCCC(C)=O Amb9655821 [0,1,0,0,0,0|2,0,1]=4 1278 B7R0.4 CCSCCC(N)=O Amb27258252 [0,1,0,0,0,0|2,0,1]=4 1279 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [0,1,0,0,0,0|1,0,1]=3 1280 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [0,1,0,0,0,0|2,0,1]=4 1281 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [0,1,0,0,0,0|2,0,1]=4 1282 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [0,1,0,0,0,0|1,0,1]=3 1283 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [0,1,0,0,0,0|2,0,1]=4 1284 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [0,1,0,0,0,0|2,0,1]=4 1285 B7R0.4 CN(C)CCCC=O Amb22753951 [0,1,0,0,0,0|3,0,0]=4 1286 B7R0.4 CN(C)CCCC=O Amb24117840 [0,1,0,0,0,0|3,0,0]=4 1287 B7R0.4 CNCC#CC(=O)O Amb27218273 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.4 CNCCCC(=O)O Amb1153115 [0,1,0,0,0,0|1,0,1]=3 1289 B7R0.4 CNCCCC(=O)O Amb4521435 [0,1,0,0,0,0|1,0,1]=3 1290 B7R0.4 CNCCCC(C)=O Amb27838406 [0,1,0,0,0,0|2,0,1]=4 1291 B7R0.4 CNCCCC(N)=O Amb18303611 [0,1,0,0,0,0|2,0,1]=4 1292 B7R0.4 CNCCCC(N)=O Amb31307731 [0,1,0,0,0,0|2,0,1]=4 1293 B7R0.4 CNCCNC(C)=O Amb28934797 [0,1,0,0,0,0|3,0,0]=4 1294 B7R0.4 CNCCNC(C)=O Amb9256137 [0,1,0,0,0,0|3,0,0]=4 1295 B7R0.4 CNCCNC(N)=O Amb18299975 [0,1,0,0,0,0|3,0,0]=4 1296 B7R0.4 CNCCOC(C)=O Amb18124262 [0,1,0,0,0,0|3,0,0]=4 1297 B7R0.4 CNCCOC(C)=O Amb33621071 [0,1,0,0,0,0|3,0,0]=4 1298 B7R0.4 CNCCOC(N)=O Amb25136928 [0,1,0,0,0,0|3,0,0]=4 1299 B7R0.4 CNCCOC(N)=O Amb32693459 [0,1,0,0,0,0|3,0,0]=4 1300 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [0,1,0,0,0,0|2,0,1]=4 1301 B7R0.4 COCC#CC(=O)O Amb33544473 [0,1,0,0,0,0|2,0,1]=4 1302 B7R0.4 COCCCC(=O)O Amb6275629 [0,1,0,0,0,0|0,0,2]=3 1303 B7R0.4 COCCCC(C)=O Amb9031556 [0,1,0,0,0,0|1,0,2]=4 1304 B7R0.4 COCCNC(C)=O Amb3358082 [0,1,0,0,0,0|3,0,0]=4 1305 B7R0.4 COCCNC(N)=O Amb1104938 [0,1,0,0,0,0|3,0,0]=4 1306 B7R0.4 COCCOC(=O)Cl Amb2689125 [0,1,0,0,0,0|3,0,0]=4 1307 B7R0.4 COCCOC(C)=O Amb4037074 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.4 COCCOC(N)=O Amb25054225 [0,1,0,0,0,0|3,0,0]=4 1309 B7R0.4 COCOCC(=O)O Amb28059312 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.4 COCSCC(=O)O Amb27466837 [0,1,0,0,0,0|2,0,0]=3 1311 B7R0.4 COC\C=C\C(=O)O Amb33986212 [0,1,0,0,0,0|2,0,1]=4 1312 B7R0.4 CS(=O)CCN=C=O Amb27169747 [0,1,0,0,0,0|2,0,1]=4 1313 B7R0.4 CSCCCC(=O)O Amb17503622 [0,1,0,0,0,0|0,1,1]=3 1314 B7R0.4 CSCCCC(C)=O Amb25122381 [0,1,0,0,0,0|1,1,1]=4 1315 B7R0.4 CSCCNC(=O)Cl Amb29882959 [0,1,0,0,0,0|3,0,0]=4 1316 B7R0.4 CSCCNC(C)=O Amb8504699 [0,1,0,0,0,0|3,0,0]=4 1317 B7R0.4 CSCCNC(N)=O Amb27424586 [0,1,0,0,0,0|3,0,0]=4 1318 B7R0.4 CSCCSC(C)=O Amb27635033 [0,1,0,0,0,0|3,0,0]=4 1319 B7R0.4 CSCSCC(=O)O Amb27858824 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.4 CSSCCC(=O)O Amb26848465 [0,1,0,0,0,0|1,1,0]=3 1321 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [0,1,0,0,0,0|0,1,1]=3 1322 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [0,1,0,0,0,0|2,0,0]=3 1323 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [0,1,0,0,0,0|1,0,2]=4 1324 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [0,1,0,0,0,0|1,0,2]=4 1325 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [0,1,0,0,0,0|1,0,0]=2 1326 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [0,1,0,0,0,0|2,0,0]=3 1327 B7R0.4 C\C=C\CCC(C)O Amb32665057 [0,1,0,0,0,0|2,0,1]=4 1328 B7R0.4 C\C=C\CC[C@@H](C)O Amb27652940 [0,1,0,0,0,0|2,0,1]=4 1329 B7R0.4 C\C=C\CNC(=O)S Amb26417290 [0,1,0,0,0,0|1,1,1]=4 1330 B7R0.4 C\C=C\COC(C)=O Amb6366590 [0,1,0,0,0,0|2,0,1]=4 1331 B7R0.4 N#CCCCC(=O)O Amb33542831 [0,1,0,0,0,0|1,0,1]=3 1332 B7R0.4 N#CCSCC(=O)O Amb6243720 [0,1,0,0,0,0|1,0,1]=3 1333 B7R0.4 N#CNCCC(=O)O Amb30031691 [0,1,0,0,0,0|1,0,1]=3 1334 B7R0.4 N#CNOCC(=O)O Amb35634483 [0,1,0,0,0,0|2,0,1]=4 1335 B7R0.4 NC(=O)CCCCBr Amb27875083 [0,1,0,0,0,0|2,0,1]=4 1336 B7R0.4 NC(=O)CCCCCl Amb7782532 [0,1,0,0,0,0|2,0,1]=4 1337 B7R0.4 NC(=O)CCCCO Amb3939470 [0,1,0,0,0,0|1,0,2]=4 1338 B7R0.4 NC(=O)CCCCS Amb27839239 [0,1,0,0,0,0|1,1,1]=4 1339 B7R0.4 NC(=O)CCSCCl Amb27430706 [0,1,0,0,0,0|2,0,1]=4 1340 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [0,1,0,0,0,0|2,0,0]=3 1341 B7R0.4 NC(=O)CNCCO Amb6714605 [0,1,0,0,0,0|1,0,2]=4 1342 B7R0.4 NC(=O)COCCBr Amb25133475 [0,1,0,0,0,0|2,0,1]=4 1343 B7R0.4 NC(=O)COCCCl Amb5722397 [0,1,0,0,0,0|2,0,1]=4 1344 B7R0.4 NC(=O)CSCCBr Amb28193514 [0,1,0,0,0,0|2,0,1]=4 1345 B7R0.4 NC(=O)CSCCO Amb6754148 [0,1,0,0,0,0|1,0,2]=4 1346 B7R0.4 NC(=O)CSCCS Amb27651871 [0,1,0,0,0,0|1,1,1]=4 1347 B7R0.4 NC(=O)NCCCF Amb27396406 [0,1,0,0,0,0|2,0,1]=4 1348 B7R0.4 NC(=O)NCCCO Amb9248133 [0,1,0,0,0,0|1,0,2]=4 1349 B7R0.4 NC(=O)NCCN=O Amb27796959 [0,1,0,0,0,0|2,0,0]=3 1350 B7R0.4 NC(=O)OCCCBr Amb28316236 [0,1,0,0,0,0|2,0,1]=4 1351 B7R0.4 NC(=S)CCNC=O Amb27395809 [0,1,0,0,0,0|1,1,0]=3 1352 B7R0.4 NC(=S)SCCC=O Amb27839069 [0,1,0,0,0,0|1,1,0]=3 1353 B7R0.4 NCC#CCC(=O)O Amb27976019 [0,1,0,0,0,0|1,0,2]=4 1354 B7R0.4 NCCC#CC(=O)O Amb32656225 [0,1,0,0,0,0|1,0,2]=4 1355 B7R0.4 NCCCCC(=O)Cl Amb26599615 [0,1,0,0,0,0|2,0,1]=4 1356 B7R0.4 NCCCCC(=O)O Amb2780021 [0,1,0,0,0,0|1,0,1]=3 1357 B7R0.4 NCCCCC(=O)O Amb3941646 [0,1,0,0,0,0|1,0,1]=3 1358 B7R0.4 NCCCCC(=O)O Amb9825855 [0,1,0,0,0,0|1,0,1]=3 1359 B7R0.4 NCCCCC(N)=O Amb18641897 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.4 NCCCCC(N)=O Amb33552086 [0,1,0,0,0,0|2,0,1]=4 1361 B7R0.4 NCCCCS(=O)O Amb27882127 [0,1,0,0,0,0|2,0,1]=4 1362 B7R0.4 NCCCNC(=O)O Amb24093884 [0,1,0,0,0,0|1,0,1]=3 1363 B7R0.4 NCCCNC(=O)S Amb27839485 [0,1,0,0,0,0|1,1,1]=4 1364 B7R0.4 NCCCNC(N)=O Amb18296186 [0,1,0,0,0,0|2,0,1]=4 1365 B7R0.4 NCCCNC(N)=O Amb20622408 [0,1,0,0,0,0|2,0,1]=4 1366 B7R0.4 NCCCOC(N)=O Amb26334419 [0,1,0,0,0,0|2,0,1]=4 1367 B7R0.4 NCCCOC(N)=O Amb33299259 [0,1,0,0,0,0|2,0,1]=4 1368 B7R0.4 NCCCOS(=O)O Amb26007874 [0,1,0,0,0,0|2,0,1]=4 1369 B7R0.4 NCCNCC(=O)O Amb17608063 [0,1,0,0,0,0|1,0,1]=3 1370 B7R0.4 NCCNCC(=O)O Amb33339058 [0,1,0,0,0,0|1,0,1]=3 1371 B7R0.4 NCCNCC(N)=O Amb28388338 [0,1,0,0,0,0|2,0,1]=4 1372 B7R0.4 NCCOCC(=O)O Amb18630146 [0,1,0,0,0,0|1,0,1]=3 1373 B7R0.4 NCCOCC(=O)O Amb33550947 [0,1,0,0,0,0|1,0,1]=3 1374 B7R0.4 NCCOCC(N)=O Amb18523830 [0,1,0,0,0,0|2,0,1]=4 1375 B7R0.4 NCCOCC(N)=O Amb33549549 [0,1,0,0,0,0|2,0,1]=4 1376 B7R0.4 NCCSCC(=O)O Amb17500446 [0,1,0,0,0,0|1,0,1]=3 1377 B7R0.4 NCCSCC(=O)O Amb20622325 [0,1,0,0,0,0|1,0,1]=3 1378 B7R0.4 NCCSCC(N)=O Amb6266329 [0,1,0,0,0,0|2,0,1]=4 1379 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [0,1,0,0,0,0|1,0,2]=4 1380 B7R0.4 NOCCCC(=O)O Amb10975956 [0,1,0,0,0,0|0,0,2]=3 1381 B7R0.4 NOCCCC(=O)O Amb22011795 [0,1,0,0,0,0|0,0,2]=3 1382 B7R0.4 NOCCCC(=O)O Amb31283653 [0,1,0,0,0,0|0,0,2]=3 1383 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [0,1,0,0,0,0|2,0,1]=4 1384 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [0,1,0,0,0,0|2,0,1]=4 1385 B7R0.4 O=C(Cl)COCCCl Amb17610887 [0,1,0,0,0,0|2,0,1]=4 1386 B7R0.4 O=C(Cl)NCCCCl Amb27856097 [0,1,0,0,0,0|2,0,1]=4 1387 B7R0.4 O=C(Cl)NCCCF Amb35633310 [0,1,0,0,0,0|2,0,1]=4 1388 B7R0.4 O=C(Cl)OCCCCl Amb10844795 [0,1,0,0,0,0|2,0,1]=4 1389 B7R0.4 O=C(Cl)OCCCF Amb26994902 [0,1,0,0,0,0|2,0,1]=4 1390 B7R0.4 O=C(O)C#CCCO Amb25844914 [0,1,0,0,0,0|0,0,3]=4 1391 B7R0.4 O=C(O)CCCCBr Amb6608763 [0,1,0,0,0,0|1,0,1]=3 1392 B7R0.4 O=C(O)CCCCCl Amb3940369 [0,1,0,0,0,0|1,0,1]=3 1393 B7R0.4 O=C(O)CCCCF Amb26639920 [0,1,0,0,0,0|1,0,1]=3 1394 B7R0.4 O=C(O)CCCCO Amb9214971 [0,1,0,0,0,0|0,0,2]=3 1395 B7R0.4 O=C(O)CCCCS Amb17503767 [0,1,0,0,0,0|0,1,1]=3 1396 B7R0.4 O=C(O)CCCNCl Amb27173950 [0,1,0,0,0,0|1,0,1]=3 1397 B7R0.4 O=C(O)CCN=C=S Amb24562253 [0,1,0,0,0,0|0,1,1]=3 1398 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [0,1,0,0,0,0|1,0,0]=2 1399 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [0,1,0,0,0,0|0,0,1]=2 1400 B7R0.4 O=C(O)CNCCF Amb28076282 [0,1,0,0,0,0|1,0,1]=3 1401 B7R0.4 O=C(O)CNCCO Amb9325653 [0,1,0,0,0,0|0,0,2]=3 1402 B7R0.4 O=C(O)COCCCl Amb21857870 [0,1,0,0,0,0|1,0,1]=3 1403 B7R0.4 O=C(O)COCCF Amb27866609 [0,1,0,0,0,0|1,0,1]=3 1404 B7R0.4 O=C(O)COCCO Amb6680914 [0,1,0,0,0,0|0,0,2]=3 1405 B7R0.4 O=C(O)CSCCCl Amb18644703 [0,1,0,0,0,0|1,0,1]=3 1406 B7R0.4 O=C(O)CSSCCl Amb27983630 [0,1,0,0,0,0|2,0,1]=4 1407 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [0,1,0,0,0,0|0,1,1]=3 1408 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [0,1,0,0,0,0|0,0,2]=3 1409 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [0,1,0,0,0,0|0,1,1]=3 1410 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [0,1,0,0,0,0|0,0,3]=4 1411 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [0,1,0,0,0,0|1,0,2]=4 1412 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [0,1,0,0,0,0|1,0,2]=4 1413 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [0,1,0,0,0,0|1,0,2]=4 1414 B7R0.4 O=C([O-])CCCCF Amb33527827 [0,1,0,0,0,0|1,0,2]=4 1415 B7R0.4 O=C([O-])CCCCO Amb13952763 [0,1,0,0,0,0|0,0,3]=4 1416 B7R0.4 O=C([O-])CCCCO Amb22749314 [0,1,0,0,0,0|0,0,3]=4 1417 B7R0.4 O=C([O-])COCCO Amb33553026 [0,1,0,0,0,0|0,0,3]=4 1418 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [0,1,0,0,0,0|1,0,1]=3 1419 B7R0.4 O=C=NCCC(=O)O Amb26053417 [0,1,0,0,0,0|0,0,1]=2 1420 B7R0.4 O=CCCCC(=O)O Amb17593198 [0,1,0,0,0,0|0,0,0]=1 1421 B7R0.4 O=CCCCC(F)F Amb25243487 [0,1,0,0,0,0|2,0,1]=4 1422 B7R0.4 O=CCCCC(O)O Amb25889261 [0,1,0,0,0,0|0,0,2]=3 1423 B7R0.4 O=CNCC=C(Cl)Cl Amb35690539 [0,1,0,0,0,0|2,0,1]=4 1424 B7R0.4 O=CNCCC(=O)O Amb18290434 [0,1,0,0,0,0|0,0,0]=1 1425 B7R0.4 O=CNOCC(=O)O Amb27477273 [0,1,0,0,0,0|1,0,0]=2 1426 B7R0.4 O=C\C=C\CS(=O)F Amb27866107 [0,1,0,0,0,0|2,0,1]=4 1427 B7R0.4 O=NSCCC(=O)O Amb28429846 [0,1,0,0,0,0|1,0,0]=2 1428 B7R0.4 [N-]=[N+]=NCCC(=O)Cl Amb27831534 [0,1,0,0,0,0|3,0,0]=4 1429 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [0,1,0,0,0,0|2,0,0]=3 1430 B7R0.5 C#CCC(=O)C(=O)O Amb27601316 [0,1,0,0,0,0|1,0,2]=4 1431 B7R0.5 C#CCC(C)C(=O)O Amb18633959 [0,1,0,0,0,0|1,0,1]=3 1432 B7R0.5 C#CCC(C)C(C)=O Amb27465169 [0,1,0,0,0,0|2,0,1]=4 1433 B7R0.5 C#CCC(F)C(C)=O Amb28249962 [0,1,0,0,0,0|2,0,1]=4 1434 B7R0.5 C#CCC(N)C(=O)O Amb19944472 [0,1,0,0,0,0|1,0,1]=3 1435 B7R0.5 C#CCC(N)C(=O)O Amb9721758 [0,1,0,0,0,0|1,0,1]=3 1436 B7R0.5 C#CCC(N)C(C)=O Amb27228190 [0,1,0,0,0,0|2,0,1]=4 1437 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [0,1,0,0,0,0|2,0,1]=4 1438 B7R0.5 C#CCC(N)C(N)=O Amb33543329 [0,1,0,0,0,0|2,0,1]=4 1439 B7R0.5 C#CCC(N)[PH](=O)O Amb27838345 [0,1,0,0,0,0|2,0,1]=4 1440 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [0,1,0,0,0,0|1,0,1]=3 1441 B7R0.5 C#CCC(O)C(C)=O Amb27442415 [0,1,0,0,0,0|2,0,1]=4 1442 B7R0.5 C#CC[C@@H](N)C(=O)O Amb16183954 [0,1,0,0,0,0|1,0,1]=3 1443 B7R0.5 C#CC[C@@H](N)C(=O)O Amb22748688 [0,1,0,0,0,0|1,0,1]=3 1444 B7R0.5 C#CC[C@@H](N)C(N)=O Amb27473309 [0,1,0,0,0,0|2,0,1]=4 1445 B7R0.5 C#CC[C@H](C)C(=O)O Amb10844036 [0,1,0,0,0,0|1,0,1]=3 1446 B7R0.5 C#CC[C@H](N)C(=O)O Amb8396606 [0,1,0,0,0,0|1,0,1]=3 1447 B7R0.5 C#CC[C@H](N)C(N)=O Amb28345609 [0,1,0,0,0,0|2,0,1]=4 1448 B7R0.5 C=C(C)C(=C)CC=O Amb28245848 [0,1,0,0,0,0|2,0,1]=4 1449 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [0,1,0,0,0,0|1,0,2]=4 1450 B7R0.5 C=C(CCF)C(=O)O Amb33480692 [0,1,0,0,0,0|1,0,2]=4 1451 B7R0.5 C=C(CCN)C(=O)O Amb27267272 [0,1,0,0,0,0|1,0,2]=4 1452 B7R0.5 C=C(CCO)C(=O)O Amb27173904 [0,1,0,0,0,0|0,0,3]=4 1453 B7R0.5 C=C(COC)C(=O)O Amb26978134 [0,1,0,0,0,0|2,0,1]=4 1454 B7R0.5 C=C(CSC)C(=O)O Amb26953041 [0,1,0,0,0,0|2,0,1]=4 1455 B7R0.5 C=C(O)C(O)\C=C\C Amb28140639 [0,1,0,0,0,0|2,0,1]=4 1456 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [0,1,0,0,0,0|1,0,1]=3 1457 B7R0.5 C=CCC(=C)C(N)=O Amb27845092 [0,1,0,0,0,0|2,0,1]=4 1458 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [0,1,0,0,0,0|1,0,1]=3 1459 B7R0.5 C=CCC(Br)C(=C)C Amb28397197 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.5 C=CCC(Br)C(=C)Cl Amb27974223 [0,1,0,0,0,0|3,0,0]=4 1461 B7R0.5 C=CCC(Br)C(C)=O Amb27760403 [0,1,0,0,0,0|2,0,0]=3 1462 B7R0.5 C=CCC(C)C(=N)N Amb27791485 [0,1,0,0,0,0|3,0,0]=4 1463 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [0,1,0,0,0,0|1,0,0]=2 1464 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [0,1,0,0,0,0|2,0,0]=3 1465 B7R0.5 C=CCC(C)C(C)O Amb26435224 [0,1,0,0,0,0|2,0,1]=4 1466 B7R0.5 C=CCC(C)C(N)=O Amb27788519 [0,1,0,0,0,0|2,0,0]=3 1467 B7R0.5 C=CCC(C)C(N)=S Amb27839570 [0,1,0,0,0,0|2,1,0]=4 1468 B7R0.5 C=CCC(Cl)C(=O)Cl Amb27463323 [0,1,0,0,0,0|2,0,0]=3 1469 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [0,1,0,0,0,0|1,0,0]=2 1470 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [0,1,0,0,0,0|1,0,0]=2 1471 B7R0.5 C=CCC(F)C(C)=O Amb19889753 [0,1,0,0,0,0|2,0,0]=3 1472 B7R0.5 C=CCC(N)C(=C)C Amb28316076 [0,1,0,0,0,0|3,0,0]=4 1473 B7R0.5 C=CCC(N)C(=O)Cl Amb27413912 [0,1,0,0,0,0|2,0,0]=3 1474 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [0,1,0,0,0,0|1,0,0]=2 1475 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [0,1,0,0,0,0|1,0,0]=2 1476 B7R0.5 C=CCC(N)C(C)=O Amb27194092 [0,1,0,0,0,0|2,0,0]=3 1477 B7R0.5 C=CCC(N)C(N)=O Amb26585896 [0,1,0,0,0,0|2,0,0]=3 1478 B7R0.5 C=CCC(O)C(=C)C Amb4035448 [0,1,0,0,0,0|3,0,0]=4 1479 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [0,1,0,0,0,0|2,0,0]=3 1480 B7R0.5 C=CCN(Br)C(C)=O Amb28316145 [0,1,0,0,0,0|3,0,0]=4 1481 B7R0.5 C=CCN(C)C(=O)Cl Amb33296757 [0,1,0,0,0,0|3,0,0]=4 1482 B7R0.5 C=CCN(C)C(C)=O Amb4318131 [0,1,0,0,0,0|3,0,0]=4 1483 B7R0.5 C=CCN(C)C(N)=O Amb27838344 [0,1,0,0,0,0|3,0,0]=4 1484 B7R0.5 C=CCN(S)C(N)=O Amb27596029 [0,1,0,0,0,0|3,0,0]=4 1485 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [0,1,0,0,0,0|1,0,0]=2 1486 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [0,1,0,0,0,0|1,0,0]=2 1487 B7R0.5 C=CC[C@@H](N)C(N)=O Amb27838370 [0,1,0,0,0,0|2,0,0]=3 1488 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [0,1,0,0,0,0|2,0,0]=3 1489 B7R0.5 C=CC[C@H](C)C(C)O Amb28350029 [0,1,0,0,0,0|2,0,1]=4 1490 B7R0.5 C=CC[C@H](N)C(=O)Cl Amb28120452 [0,1,0,0,0,0|2,0,0]=3 1491 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [0,1,0,0,0,0|1,0,0]=2 1492 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [0,1,0,0,0,0|1,0,0]=2 1493 B7R0.5 C=CC[C@H](O)[C@H](C)O Amb28366034 [0,1,0,0,0,0|2,0,1]=4 1494 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [0,1,0,0,0,0|1,0,2]=4 1495 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [0,1,0,0,0,0|1,0,2]=4 1496 B7R0.5 CC#CC(C)C(=O)O Amb22748425 [0,1,0,0,0,0|1,0,2]=4 1497 B7R0.5 CC#CC(O)C(=O)O Amb27451308 [0,1,0,0,0,0|1,0,2]=4 1498 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [0,1,0,0,0,0|1,0,1]=3 1499 B7R0.5 CC(=O)C(Br)CCBr Amb26442822 [0,1,0,0,0,0|2,0,1]=4 1500 B7R0.5 CC(=O)C(Br)CCO Amb27858653 [0,1,0,0,0,0|1,0,2]=4 1501 B7R0.5 CC(=O)C(C)CC#N Amb27403110 [0,1,0,0,0,0|2,0,1]=4 1502 B7R0.5 CC(=O)C(C)CCBr Amb26849777 [0,1,0,0,0,0|2,0,1]=4 1503 B7R0.5 CC(=O)C(C)CCCl Amb26326637 [0,1,0,0,0,0|2,0,1]=4 1504 B7R0.5 CC(=O)C(C)CCO Amb13881368 [0,1,0,0,0,0|1,0,2]=4 1505 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [0,1,0,0,0,0|2,0,0]=3 1506 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [0,1,0,0,0,0|2,0,0]=3 1507 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [0,1,0,0,0,0|1,0,0]=2 1508 B7R0.5 CC(=O)C(Cl)CCBr Amb27259779 [0,1,0,0,0,0|2,0,1]=4 1509 B7R0.5 CC(=O)C(Cl)CCCl Amb20671951 [0,1,0,0,0,0|2,0,1]=4 1510 B7R0.5 CC(=O)C(Cl)CCO Amb4017890 [0,1,0,0,0,0|1,0,2]=4 1511 B7R0.5 CC(=O)C(F)CCBr Amb28429129 [0,1,0,0,0,0|2,0,1]=4 1512 B7R0.5 CC(=O)C(F)CCCl Amb27390864 [0,1,0,0,0,0|2,0,1]=4 1513 B7R0.5 CC(=O)C(N)CCO Amb25087112 [0,1,0,0,0,0|1,0,2]=4 1514 B7R0.5 CC(=O)C(S)CCO Amb25831127 [0,1,0,0,0,0|1,0,2]=4 1515 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [0,1,0,0,0,0|2,0,0]=3 1516 B7R0.5 CC(=O)[C@@H](C)CC#N Amb26887655 [0,1,0,0,0,0|2,0,1]=4 1517 B7R0.5 CC(=O)[C@@H](N)CCO Amb28410323 [0,1,0,0,0,0|1,0,2]=4 1518 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [0,1,0,0,0,0|1,0,0]=2 1519 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [0,1,0,0,0,0|1,0,2]=4 1520 B7R0.5 CC(=O)\C(C)=N\C=O Amb28316244 [0,1,0,0,0,0|2,0,1]=4 1521 B7R0.5 CC(C)=C(C)CC=O Amb27625010 [0,1,0,0,0,0|2,0,1]=4 1522 B7R0.5 CC(C)C(C)CC=O Amb18641816 [0,1,0,0,0,0|2,0,1]=4 1523 B7R0.5 CC(C)C(N)CC=O Amb27628058 [0,1,0,0,0,0|2,0,1]=4 1524 B7R0.5 CC(C)[C@@H](C)CC=O Amb28388606 [0,1,0,0,0,0|2,0,1]=4 1525 B7R0.5 CC(CC#N)C(=O)O Amb17334056 [0,1,0,0,0,0|1,0,1]=3 1526 B7R0.5 CC(CC#N)C(N)=O Amb8944748 [0,1,0,0,0,0|2,0,1]=4 1527 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [0,1,0,0,0,0|0,0,0]=1 1528 B7R0.5 CC(CC=O)C(Cl)Cl Amb28320750 [0,1,0,0,0,0|2,0,1]=4 1529 B7R0.5 CC(CC=O)N(C)C Amb18203067 [0,1,0,0,0,0|3,0,0]=4 1530 B7R0.5 CC(CCBr)C(=O)Br Amb27948455 [0,1,0,0,0,0|2,0,1]=4 1531 B7R0.5 CC(CCBr)C(=O)O Amb27409152 [0,1,0,0,0,0|1,0,1]=3 1532 B7R0.5 CC(CCCl)C(=O)Cl Amb25744436 [0,1,0,0,0,0|2,0,1]=4 1533 B7R0.5 CC(CCF)C(=O)O Amb24678386 [0,1,0,0,0,0|1,0,1]=3 1534 B7R0.5 CC(CCN)C(=O)O Amb20667970 [0,1,0,0,0,0|1,0,1]=3 1535 B7R0.5 CC(CCN)C(=O)O Amb538221 [0,1,0,0,0,0|1,0,1]=3 1536 B7R0.5 CC(CCO)C(=O)O Amb18641949 [0,1,0,0,0,0|0,0,2]=3 1537 B7R0.5 CC(CCO)C(=O)[O-] Amb33330478 [0,1,0,0,0,0|0,0,3]=4 1538 B7R0.5 CC(CCO)C(N)=O Amb28280962 [0,1,0,0,0,0|1,0,2]=4 1539 B7R0.5 CC(CNO)C(=O)O Amb28315956 [0,1,0,0,0,0|1,0,1]=3 1540 B7R0.5 CC(CSS)C(=O)O Amb27437183 [0,1,0,0,0,0|1,1,0]=3 1541 B7R0.5 CC(N=C=O)C(=O)Cl Amb27424359 [0,1,0,0,0,0|2,0,1]=4 1542 B7R0.5 CC(N=C=O)C(=O)O Amb33471295 [0,1,0,0,0,0|1,0,1]=3 1543 B7R0.5 CC(N=C=S)C(=O)O Amb25945785 [0,1,0,0,0,0|1,1,1]=4 1544 B7R0.5 CC(N=[N+]=[N-])C(=O)O Amb27202649 [0,1,0,0,0,0|3,0,0]=4 1545 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [0,1,0,0,0,0|1,0,0]=2 1546 B7R0.5 CC(NCO)C(=O)O Amb27468253 [0,1,0,0,0,0|1,0,2]=4 1547 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [0,1,0,0,0,0|1,0,0]=2 1548 B7R0.5 CC(\N=N\O)C(=O)O Amb28251041 [0,1,0,0,0,0|2,0,1]=4 1549 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [0,1,0,0,0,0|1,0,2]=4 1550 B7R0.5 CCCC(Br)C(=O)Cl Amb17569837 [0,1,0,0,0,0|2,0,1]=4 1551 B7R0.5 CCCC(Br)C(=O)O Amb2795765 [0,1,0,0,0,0|1,0,1]=3 1552 B7R0.5 CCCC(Br)C(C)=O Amb26870127 [0,1,0,0,0,0|2,0,1]=4 1553 B7R0.5 CCCC(C)C(=O)Cl Amb2689582 [0,1,0,0,0,0|2,0,1]=4 1554 B7R0.5 CCCC(C)C(=O)O Amb3938958 [0,1,0,0,0,0|1,0,1]=3 1555 B7R0.5 CCCC(C)C(C)=O Amb4034597 [0,1,0,0,0,0|2,0,1]=4 1556 B7R0.5 CCCC(C)C(N)=O Amb3886535 [0,1,0,0,0,0|2,0,1]=4 1557 B7R0.5 CCCC(Cl)C(=O)O Amb17593470 [0,1,0,0,0,0|1,0,1]=3 1558 B7R0.5 CCCC(F)C(=O)O Amb25842008 [0,1,0,0,0,0|1,0,1]=3 1559 B7R0.5 CCCC(F)C(C)=O Amb28316211 [0,1,0,0,0,0|2,0,1]=4 1560 B7R0.5 CCCC(F)C(N)=O Amb28127390 [0,1,0,0,0,0|2,0,1]=4 1561 B7R0.5 CCCC(N)C(=O)O Amb6262055 [0,1,0,0,0,0|1,0,1]=3 1562 B7R0.5 CCCC(N)C(C)=O Amb27838289 [0,1,0,0,0,0|2,0,1]=4 1563 B7R0.5 CCCC(N)C(N)=O Amb22284825 [0,1,0,0,0,0|2,0,1]=4 1564 B7R0.5 CCCC(N)C(N)=O Amb9514970 [0,1,0,0,0,0|2,0,1]=4 1565 B7R0.5 CCCC(O)C(=O)O Amb2818222 [0,1,0,0,0,0|1,0,1]=3 1566 B7R0.5 CCCC(O)C(C)=O Amb22495823 [0,1,0,0,0,0|2,0,1]=4 1567 B7R0.5 CCCC(O)C(N)=O Amb24116553 [0,1,0,0,0,0|2,0,1]=4 1568 B7R0.5 CCCC(S)C(=O)O Amb18124440 [0,1,0,0,0,0|1,0,1]=3 1569 B7R0.5 CCC[C@@H](C)C(=O)O Amb10844028 [0,1,0,0,0,0|1,0,1]=3 1570 B7R0.5 CCC[C@@H](Cl)C(=O)O Amb27266071 [0,1,0,0,0,0|1,0,1]=3 1571 B7R0.5 CCC[C@@H](N)C(=O)O Amb8514700 [0,1,0,0,0,0|1,0,1]=3 1572 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [0,1,0,0,0,0|2,0,1]=4 1573 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [0,1,0,0,0,0|2,0,1]=4 1574 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [0,1,0,0,0,0|2,0,1]=4 1575 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [0,1,0,0,0,0|1,0,1]=3 1576 B7R0.5 CCC[C@H](Br)C(=O)O Amb26515784 [0,1,0,0,0,0|1,0,1]=3 1577 B7R0.5 CCC[C@H](C)C(=O)O Amb10844037 [0,1,0,0,0,0|1,0,1]=3 1578 B7R0.5 CCC[C@H](C)C(C)=O Amb27463637 [0,1,0,0,0,0|2,0,1]=4 1579 B7R0.5 CCC[C@H](Cl)C(=O)O Amb27801931 [0,1,0,0,0,0|1,0,1]=3 1580 B7R0.5 CCC[C@H](N)C(=O)O Amb30647420 [0,1,0,0,0,0|1,0,1]=3 1581 B7R0.5 CCC[C@H](N)C(=O)O Amb8514701 [0,1,0,0,0,0|1,0,1]=3 1582 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [0,1,0,0,0,0|2,0,1]=4 1583 B7R0.5 CCC[C@H](N)C(N)=O Amb26916392 [0,1,0,0,0,0|2,0,1]=4 1584 B7R0.5 CCC[C@H](N)C(N)=O Amb33813498 [0,1,0,0,0,0|2,0,1]=4 1585 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [0,1,0,0,0,0|1,0,1]=3 1586 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [0,1,0,0,0,0|2,0,1]=4 1587 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [0,1,0,0,0,0|1,0,1]=3 1588 B7R0.5 CCNC(C)C(=O)O Amb33527634 [0,1,0,0,0,0|2,0,1]=4 1589 B7R0.5 CCNC(C)C(=O)O Amb9326962 [0,1,0,0,0,0|2,0,1]=4 1590 B7R0.5 CCNC(O)C(=O)O Amb27259098 [0,1,0,0,0,0|2,0,1]=4 1591 B7R0.5 CCN[C@@H](C)C(=O)O Amb26579594 [0,1,0,0,0,0|2,0,1]=4 1592 B7R0.5 CCN[C@H](C)C(=O)O Amb24351099 [0,1,0,0,0,0|2,0,1]=4 1593 B7R0.5 CCOC(C)C(=O)O Amb9725271 [0,1,0,0,0,0|2,0,1]=4 1594 B7R0.5 CCOC(F)C(=O)O Amb27210743 [0,1,0,0,0,0|2,0,1]=4 1595 B7R0.5 CCSC(C)C(=O)O Amb9721554 [0,1,0,0,0,0|2,0,1]=4 1596 B7R0.5 CNCC(C)C(=O)O Amb13952364 [0,1,0,0,0,0|2,0,0]=3 1597 B7R0.5 CNCC(C)C(=O)O Amb9400281 [0,1,0,0,0,0|2,0,0]=3 1598 B7R0.5 CNCC(C)C(N)=O Amb8943991 [0,1,0,0,0,0|3,0,0]=4 1599 B7R0.5 CNCC(N)C(=O)O Amb10845350 [0,1,0,0,0,0|2,0,0]=3 1600 B7R0.5 CNCC(O)C(=O)O Amb26894610 [0,1,0,0,0,0|2,0,0]=3 1601 B7R0.5 CNC[C@H](N)C(=O)O Amb17617148 [0,1,0,0,0,0|2,0,0]=3 1602 B7R0.5 CNC[C@H](N)C(=O)O Amb19892230 [0,1,0,0,0,0|2,0,0]=3 1603 B7R0.5 COCC(Br)C(=O)Cl Amb27797270 [0,1,0,0,0,0|3,0,0]=4 1604 B7R0.5 COCC(Br)C(=O)O Amb17594709 [0,1,0,0,0,0|2,0,0]=3 1605 B7R0.5 COCC(C)C(=O)O Amb33545090 [0,1,0,0,0,0|2,0,0]=3 1606 B7R0.5 COCC(C)C(C)=O Amb24683449 [0,1,0,0,0,0|3,0,0]=4 1607 B7R0.5 COCC(C)C(N)=O Amb27401584 [0,1,0,0,0,0|3,0,0]=4 1608 B7R0.5 COCC(Cl)C(=O)O Amb10068384 [0,1,0,0,0,0|2,0,0]=3 1609 B7R0.5 COCC(N)C(=O)O Amb33551350 [0,1,0,0,0,0|2,0,0]=3 1610 B7R0.5 COCC(N)C(=O)O Amb6752055 [0,1,0,0,0,0|2,0,0]=3 1611 B7R0.5 COCC(N)C(C)=O Amb27468401 [0,1,0,0,0,0|3,0,0]=4 1612 B7R0.5 COCC(N)C(N)=O Amb18984372 [0,1,0,0,0,0|3,0,0]=4 1613 B7R0.5 COCC(N)C(N)=O Amb32693410 [0,1,0,0,0,0|3,0,0]=4 1614 B7R0.5 COCC(O)C(=O)O Amb18124273 [0,1,0,0,0,0|2,0,0]=3 1615 B7R0.5 COCC(O)C(N)=O Amb28069186 [0,1,0,0,0,0|3,0,0]=4 1616 B7R0.5 COCC(S)C(=O)O Amb27763656 [0,1,0,0,0,0|2,0,0]=3 1617 B7R0.5 COC[C@@H](C)C(=O)O Amb26599229 [0,1,0,0,0,0|2,0,0]=3 1618 B7R0.5 COC[C@@H](N)C(=O)O Amb10604051 [0,1,0,0,0,0|2,0,0]=3 1619 B7R0.5 COC[C@@H](N)C(=O)O Amb22744762 [0,1,0,0,0,0|2,0,0]=3 1620 B7R0.5 COC[C@H](C)C(=O)O Amb10844266 [0,1,0,0,0,0|2,0,0]=3 1621 B7R0.5 COC[C@H](N)C(=O)O Amb33801358 [0,1,0,0,0,0|2,0,0]=3 1622 B7R0.5 COC[C@H](N)C(=O)O Amb8515080 [0,1,0,0,0,0|2,0,0]=3 1623 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [0,1,0,0,0,0|2,0,0]=3 1624 B7R0.5 CON[C@@H](C)C(=O)O Amb27862116 [0,1,0,0,0,0|3,0,0]=4 1625 B7R0.5 CSCC(C)C(=O)O Amb18967825 [0,1,0,0,0,0|2,0,0]=3 1626 B7R0.5 CSCC(Cl)C(=O)Cl Amb27801927 [0,1,0,0,0,0|3,0,0]=4 1627 B7R0.5 CSCC(Cl)C(=O)O Amb26878419 [0,1,0,0,0,0|2,0,0]=3 1628 B7R0.5 CSCC(N)C(=O)O Amb33804791 [0,1,0,0,0,0|2,0,0]=3 1629 B7R0.5 CSCC(N)C(=O)O Amb6280829 [0,1,0,0,0,0|2,0,0]=3 1630 B7R0.5 CSCC(O)C(=O)O Amb25131873 [0,1,0,0,0,0|2,0,0]=3 1631 B7R0.5 CSCC(O)C(C)=O Amb25983211 [0,1,0,0,0,0|3,0,0]=4 1632 B7R0.5 CSCC(O)C(N)=O Amb27168145 [0,1,0,0,0,0|3,0,0]=4 1633 B7R0.5 CSC[C@@H](C)C(=O)O Amb26047434 [0,1,0,0,0,0|2,0,0]=3 1634 B7R0.5 CSC[C@@H](N)C(=O)O Amb9813743 [0,1,0,0,0,0|2,0,0]=3 1635 B7R0.5 CSC[C@H](N)C(=O)O Amb6364886 [0,1,0,0,0,0|2,0,0]=3 1636 B7R0.5 CSC[C@H](N)C(N)=O Amb27607700 [0,1,0,0,0,0|3,0,0]=4 1637 B7R0.5 C[C@@H](CCF)C(=O)O Amb33744644 [0,1,0,0,0,0|1,0,1]=3 1638 B7R0.5 C[C@@H](CCN)C(=O)O Amb10844043 [0,1,0,0,0,0|1,0,1]=3 1639 B7R0.5 C[C@@H](N=C=O)C(=O)O Amb33189209 [0,1,0,0,0,0|1,0,1]=3 1640 B7R0.5 C[C@@H](N=C=S)C(=O)O Amb33471579 [0,1,0,0,0,0|1,1,1]=4 1641 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb28325865 [0,1,0,0,0,0|3,0,0]=4 1642 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O Amb32620194 [0,1,0,0,0,0|3,0,0]=4 1643 B7R0.5 C[C@@H](NC#N)C(=O)O Amb35634494 [0,1,0,0,0,0|2,0,1]=4 1644 B7R0.5 C[C@@H](NC=O)C(N)=O Amb27837549 [0,1,0,0,0,0|2,0,0]=3 1645 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [0,1,0,0,0,0|1,0,1]=3 1646 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [0,1,0,0,0,0|1,0,1]=3 1647 B7R0.5 C[C@H](CCF)C(=O)O Amb33738115 [0,1,0,0,0,0|1,0,1]=3 1648 B7R0.5 C[C@H](N=C=O)C(=O)O Amb33471333 [0,1,0,0,0,0|1,0,1]=3 1649 B7R0.5 C[C@H](N=C=S)C(=O)O Amb33471562 [0,1,0,0,0,0|1,1,1]=4 1650 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O Amb32620189 [0,1,0,0,0,0|3,0,0]=4 1651 B7R0.5 C[C@H](NC#N)C(=O)O Amb30031667 [0,1,0,0,0,0|2,0,1]=4 1652 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [0,1,0,0,0,0|1,0,0]=2 1653 B7R0.5 C[C@H](NCO)C(=O)O Amb24401217 [0,1,0,0,0,0|1,0,2]=4 1654 B7R0.5 C[Se]C[C@@H](N)C(=O)O Amb22745692 [0,1,0,0,0,0|2,0,0]=3 1655 B7R0.5 C[Se]C[C@H](N)C(=O)O Amb10601626 [0,1,0,0,0,0|2,0,0]=3 1656 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [0,1,0,0,0,0|0,0,2]=3 1657 B7R0.5 C\C(=C/C=O)C(N)=O Amb27838329 [0,1,0,0,0,0|1,0,2]=4 1658 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [0,1,0,0,0,0|1,0,1]=3 1659 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [0,1,0,0,0,0|2,0,1]=4 1660 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [0,1,0,0,0,0|1,0,1]=3 1661 B7R0.5 C\C=C\C(O)C(C)=O Amb25912951 [0,1,0,0,0,0|2,0,1]=4 1662 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [0,1,0,0,0,0|1,0,1]=3 1663 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [0,1,0,0,0,0|1,0,1]=3 1664 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [0,1,0,0,0,0|1,0,1]=3 1665 B7R0.5 N#CCC(N)C(=O)O Amb18641766 [0,1,0,0,0,0|1,0,1]=3 1666 B7R0.5 N#CCC(N)C(N)=O Amb33308724 [0,1,0,0,0,0|2,0,1]=4 1667 B7R0.5 N#CC[C@@H](N)C(=O)O Amb26397494 [0,1,0,0,0,0|1,0,1]=3 1668 B7R0.5 N#CC[C@H](N)C(=O)O Amb16183916 [0,1,0,0,0,0|1,0,1]=3 1669 B7R0.5 NC(=O)C(Br)CCCl Amb27954931 [0,1,0,0,0,0|2,0,1]=4 1670 B7R0.5 NC(=O)C(N)CCF Amb24391278 [0,1,0,0,0,0|2,0,1]=4 1671 B7R0.5 NC(=O)C(N)CCO Amb24481392 [0,1,0,0,0,0|1,0,2]=4 1672 B7R0.5 NC(=O)C(N)CNO Amb27396201 [0,1,0,0,0,0|2,0,1]=4 1673 B7R0.5 NC(CCBr)C(=O)O Amb21858417 [0,1,0,0,0,0|1,0,1]=3 1674 B7R0.5 NC(CCCl)C(=O)O Amb28241385 [0,1,0,0,0,0|1,0,1]=3 1675 B7R0.5 NC(CCF)C(=O)O Amb25889337 [0,1,0,0,0,0|1,0,1]=3 1676 B7R0.5 NC(CCF)C(=O)O Amb28934889 [0,1,0,0,0,0|1,0,1]=3 1677 B7R0.5 NC(CCO)C(=O)O Amb8514287 [0,1,0,0,0,0|0,0,2]=3 1678 B7R0.5 NC(CCS)C(=O)O Amb19267093 [0,1,0,0,0,0|0,1,1]=3 1679 B7R0.5 NC(CCS)C(=O)O Amb3499433 [0,1,0,0,0,0|0,1,1]=3 1680 B7R0.5 NC(CCS)[PH](=O)O Amb27409002 [0,1,0,0,0,0|1,1,1]=4 1681 B7R0.5 NC(CNO)C(=O)O Amb4092732 [0,1,0,0,0,0|1,0,1]=3 1682 B7R0.5 NC(CO[SiH3])C(=O)O Amb27461306 [0,1,0,0,0,0|2,0,0]=3 1683 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [0,1,0,0,0,0|1,0,1]=3 1684 B7R0.5 NCCC(Br)C(=O)O Amb28128317 [0,1,0,0,0,0|1,0,1]=3 1685 B7R0.5 NCCC(F)C(=O)O Amb10838221 [0,1,0,0,0,0|1,0,1]=3 1686 B7R0.5 NCCC(F)C(=O)O Amb22229524 [0,1,0,0,0,0|1,0,1]=3 1687 B7R0.5 NCCC(F)[PH](=O)O Amb27639139 [0,1,0,0,0,0|2,0,1]=4 1688 B7R0.5 NCCC(N)C(=O)O Amb2697841 [0,1,0,0,0,0|1,0,1]=3 1689 B7R0.5 NCCC(N)C(=O)O Amb8514694 [0,1,0,0,0,0|1,0,1]=3 1690 B7R0.5 NCCC(O)C(=O)O Amb16232090 [0,1,0,0,0,0|1,0,1]=3 1691 B7R0.5 NCCC(O)C(N)=O Amb28121985 [0,1,0,0,0,0|2,0,1]=4 1692 B7R0.5 NCC[C@@H](F)C(=O)O Amb24055858 [0,1,0,0,0,0|1,0,1]=3 1693 B7R0.5 NCC[C@@H](N)C(=O)O Amb16183852 [0,1,0,0,0,0|1,0,1]=3 1694 B7R0.5 NCC[C@@H](N)C(=O)O Amb23438994 [0,1,0,0,0,0|1,0,1]=3 1695 B7R0.5 NCC[C@@H](N)C(=O)O Amb8390364 [0,1,0,0,0,0|1,0,1]=3 1696 B7R0.5 NCC[C@@H](N)C(N)=O Amb31031077 [0,1,0,0,0,0|2,0,1]=4 1697 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [0,1,0,0,0,0|1,0,1]=3 1698 B7R0.5 NCC[C@H](F)C(=O)O Amb24055857 [0,1,0,0,0,0|1,0,1]=3 1699 B7R0.5 NCC[C@H](N)C(=O)O Amb16183862 [0,1,0,0,0,0|1,0,1]=3 1700 B7R0.5 NCC[C@H](N)C(=O)O Amb2720151 [0,1,0,0,0,0|1,0,1]=3 1701 B7R0.5 NCC[C@H](N)C(=O)O Amb33812683 [0,1,0,0,0,0|1,0,1]=3 1702 B7R0.5 NCC[C@H](N)C(=O)O Amb9825390 [0,1,0,0,0,0|1,0,1]=3 1703 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [0,1,0,0,0,0|1,0,1]=3 1704 B7R0.5 NCC[C@H](O)C(N)=O Amb27390493 [0,1,0,0,0,0|2,0,1]=4 1705 B7R0.5 NNCC(O)C(=O)[O-] Amb27956514 [0,1,0,0,0,0|2,0,1]=4 1706 B7R0.5 NOCC(N)C(=O)O Amb24184086 [0,1,0,0,0,0|2,0,0]=3 1707 B7R0.5 N[C@@H](CCBr)C(=O)O Amb8515827 [0,1,0,0,0,0|1,0,1]=3 1708 B7R0.5 N[C@@H](CCF)C(=O)O Amb26458628 [0,1,0,0,0,0|1,0,1]=3 1709 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [0,1,0,0,0,0|0,0,2]=3 1710 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [0,1,0,0,0,0|0,0,2]=3 1711 B7R0.5 N[C@@H](CCS)C(=O)O Amb6600039 [0,1,0,0,0,0|0,1,1]=3 1712 B7R0.5 N[C@@H](OCS)C(=O)O Amb27591629 [0,1,0,0,0,0|1,1,1]=4 1713 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [0,1,0,0,0,0|1,0,1]=3 1714 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [0,1,0,0,0,0|0,0,0]=1 1715 B7R0.5 N[C@H](CCF)C(=O)O Amb27206623 [0,1,0,0,0,0|1,0,1]=3 1716 B7R0.5 N[C@H](CCI)C(=O)O Amb27600675 [0,1,0,0,0,0|1,0,1]=3 1717 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [0,1,0,0,0,0|0,0,2]=3 1718 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [0,1,0,0,0,0|1,0,0]=2 1719 B7R0.5 O=C(Cl)C(Br)CCBr Amb19930045 [0,1,0,0,0,0|2,0,1]=4 1720 B7R0.5 O=C(Cl)C(Br)CCCl Amb26515711 [0,1,0,0,0,0|2,0,1]=4 1721 B7R0.5 O=C(Cl)C(Cl)CSCl Amb28138021 [0,1,0,0,0,0|3,0,0]=4 1722 B7R0.5 O=C(O)C(=O)CCF Amb33377241 [0,1,0,0,0,0|1,0,2]=4 1723 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [0,1,0,0,0,0|0,0,3]=4 1724 B7R0.5 O=C(O)C(Br)CCBr Amb19889695 [0,1,0,0,0,0|1,0,1]=3 1725 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [0,1,0,0,0,0|0,0,2]=3 1726 B7R0.5 O=C(O)C(Cl)CCCl Amb18126030 [0,1,0,0,0,0|1,0,1]=3 1727 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [0,1,0,0,0,0|1,0,1]=3 1728 B7R0.5 O=C(O)C(O)CCF Amb28071189 [0,1,0,0,0,0|1,0,1]=3 1729 B7R0.5 O=C(O)C(O)CCO Amb24689942 [0,1,0,0,0,0|0,0,2]=3 1730 B7R0.5 O=C(O)C(O)CNO Amb27405525 [0,1,0,0,0,0|1,0,1]=3 1731 B7R0.5 O=C(O)C(S)CCS Amb27634893 [0,1,0,0,0,0|0,1,1]=3 1732 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [0,1,0,0,0,0|1,0,1]=3 1733 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [0,1,0,0,0,0|0,0,1]=2 1734 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [0,1,0,0,0,0|0,0,2]=3 1735 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [0,1,0,0,0,0|0,0,2]=3 1736 B7R0.5 [NH3+]CCC([NH3+])C(=O)[O-] Amb33513240 [0,1,0,0,0,0|1,0,2]=4 1737 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,1,0,0,0,0|1,0,0]=2 1738 B7R0.6 C=C(Br)CNC(N)=O Amb27956072 [0,1,0,0,0,0|3,0,0]=4 1739 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,1,0,0,0,0|1,0,2]=4 1740 B7R0.6 C=C(C)CCB(O)O Amb28316164 [0,1,0,0,0,0|2,0,1]=4 1741 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,1,0,0,0,0|1,0,0]=2 1742 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [0,1,0,0,0,0|2,0,0]=3 1743 B7R0.6 C=C(C)CCC(C)O Amb24062974 [0,1,0,0,0,0|2,0,1]=4 1744 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [0,1,0,0,0,0|2,0,0]=3 1745 B7R0.6 C=C(C)CC[C@@H](C)O Amb22896943 [0,1,0,0,0,0|2,0,1]=4 1746 B7R0.6 C=C(C)CC[C@H](C)O Amb26446405 [0,1,0,0,0,0|2,0,1]=4 1747 B7R0.6 C=C(C)CC[N+](=O)[O-] Amb33199531 [0,1,0,0,0,0|2,0,1]=4 1748 B7R0.6 C=C(C)CNC(N)=O Amb28385347 [0,1,0,0,0,0|3,0,0]=4 1749 B7R0.6 C=C(C)CNC(O)=S Amb28240718 [0,1,0,0,0,0|2,1,0]=4 1750 B7R0.6 C=C(C)COC(C)=O Amb16187121 [0,1,0,0,0,0|3,0,0]=4 1751 B7R0.6 C=C(C)COC(N)=O Amb4017509 [0,1,0,0,0,0|3,0,0]=4 1752 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,1,0,0,0,0|2,0,0]=3 1753 B7R0.6 C=C(C)OCC(C)=O Amb27802616 [0,1,0,0,0,0|3,0,0]=4 1754 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,1,0,0,0,0|1,0,2]=4 1755 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,1,0,0,0,0|1,0,0]=2 1756 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [0,1,0,0,0,0|2,0,0]=3 1757 B7R0.6 C=C(Cl)COC(C)=O Amb24744447 [0,1,0,0,0,0|3,0,0]=4 1758 B7R0.6 C=C(Cl)CSC(C)=O Amb21960981 [0,1,0,0,0,0|3,0,0]=4 1759 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,1,0,0,0,0|1,0,0]=2 1760 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,1,0,0,0,0|0,0,3]=4 1761 B7R0.6 CC(=N)NCC(N)=O Amb27601983 [0,1,0,0,0,0|3,0,0]=4 1762 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [0,1,0,0,0,0|2,0,1]=4 1763 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,1,0,0,0,0|1,0,1]=3 1764 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,1,0,0,0,0|0,0,0]=1 1765 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [0,1,0,0,0,0|1,1,0]=3 1766 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,1,0,0,0,0|1,0,0]=2 1767 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [0,1,0,0,0,0|1,1,0]=3 1768 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [0,1,0,0,0,0|2,0,1]=4 1769 B7R0.6 CC(=O)CCC(C)C Amb4605991 [0,1,0,0,0,0|2,0,1]=4 1770 B7R0.6 CC(=O)CCC(C)O Amb25829594 [0,1,0,0,0,0|1,0,1]=3 1771 B7R0.6 CC(=O)CCC(F)F Amb27413848 [0,1,0,0,0,0|2,0,1]=4 1772 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,1,0,0,0,0|1,0,0]=2 1773 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,1,0,0,0,0|0,1,0]=2 1774 B7R0.6 CC(=O)CCN(C)C Amb1129203 [0,1,0,0,0,0|3,0,0]=4 1775 B7R0.6 CC(=O)CCN(C)C Amb343601 [0,1,0,0,0,0|3,0,0]=4 1776 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [0,1,0,0,0,0|1,0,1]=3 1777 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [0,1,0,0,0,0|1,0,1]=3 1778 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,1,0,0,0,0|2,0,0]=3 1779 B7R0.6 CC(=O)CNS(C)=O Amb27243778 [0,1,0,0,0,0|3,0,0]=4 1780 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,1,0,0,0,0|2,0,0]=3 1781 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [0,1,0,0,0,0|2,0,1]=4 1782 B7R0.6 CC(=O)NCB(O)O Amb8392097 [0,1,0,0,0,0|2,0,1]=4 1783 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,1,0,0,0,0|1,0,0]=2 1784 B7R0.6 CC(=O)NCC(C)O Amb9276316 [0,1,0,0,0,0|2,0,1]=4 1785 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,1,0,0,0,0|2,0,0]=3 1786 B7R0.6 CC(=O)NCC(N)=S Amb17231879 [0,1,0,0,0,0|2,1,0]=4 1787 B7R0.6 CC(=O)NNC(C)=O Amb8516143 [0,1,0,0,0,0|3,0,0]=4 1788 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,1,0,0,0,0|2,0,0]=3 1789 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,1,0,0,0,0|1,0,0]=2 1790 B7R0.6 CC(=O)OCC(C)O Amb24056158 [0,1,0,0,0,0|2,0,1]=4 1791 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,1,0,0,0,0|2,0,0]=3 1792 B7R0.6 CC(=O)OCC(N)=S Amb9677330 [0,1,0,0,0,0|2,1,0]=4 1793 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [0,1,0,0,0,0|2,0,1]=4 1794 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [0,1,0,0,0,0|3,0,0]=4 1795 B7R0.6 CC(=O)SCB(O)O Amb27456620 [0,1,0,0,0,0|2,0,1]=4 1796 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,1,0,0,0,0|2,0,0]=3 1797 B7R0.6 CC(=O)SCC(C)O Amb27801534 [0,1,0,0,0,0|2,0,1]=4 1798 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,1,0,0,0,0|2,0,0]=3 1799 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,1,0,0,0,0|3,0,0]=4 1800 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,1,0,0,0,0|0,0,2]=3 1801 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,1,0,0,0,0|1,0,2]=4 1802 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,1,0,0,0,0|1,0,2]=4 1803 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,1,0,0,0,0|1,0,1]=3 1804 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,1,0,0,0,0|1,1,0]=3 1805 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,1,0,0,0,0|1,1,0]=3 1806 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [0,1,0,0,0,0|1,0,1]=3 1807 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,1,0,0,0,0|1,0,1]=3 1808 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [0,1,0,0,0,0|1,0,2]=4 1809 B7R0.6 CC(C)=NCC(N)=O Amb27489401 [0,1,0,0,0,0|3,0,0]=4 1810 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [0,1,0,0,0,0|2,0,1]=4 1811 B7R0.6 CC(C)CCC(=O)O Amb1153016 [0,1,0,0,0,0|1,0,1]=3 1812 B7R0.6 CC(C)CCC(N)=O Amb8997711 [0,1,0,0,0,0|2,0,1]=4 1813 B7R0.6 CC(C)NCC(=O)O Amb2372347 [0,1,0,0,0,0|2,0,1]=4 1814 B7R0.6 CC(C)NCC(=O)O Amb6892753 [0,1,0,0,0,0|2,0,1]=4 1815 B7R0.6 CC(C)OCC(=O)O Amb6275796 [0,1,0,0,0,0|2,0,1]=4 1816 B7R0.6 CC(C)SCC(=O)O Amb1128460 [0,1,0,0,0,0|2,0,1]=4 1817 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,1,0,0,0,0|2,0,1]=4 1818 B7R0.6 CC(I)CCC(=O)O Amb25938596 [0,1,0,0,0,0|1,0,1]=3 1819 B7R0.6 CC(N)CCC(=O)O Amb17593212 [0,1,0,0,0,0|1,0,1]=3 1820 B7R0.6 CC(N)CCC(=O)O Amb19515603 [0,1,0,0,0,0|1,0,1]=3 1821 B7R0.6 CC(N)CCS(=O)O Amb27839082 [0,1,0,0,0,0|2,0,1]=4 1822 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [0,1,0,0,0,0|2,0,1]=4 1823 B7R0.6 CC(N)SCC(=O)O Amb27401691 [0,1,0,0,0,0|2,0,1]=4 1824 B7R0.6 CC(O)CCC(=N)N Amb29849256 [0,1,0,0,0,0|2,0,1]=4 1825 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,1,0,0,0,0|0,0,2]=3 1826 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [0,1,0,0,0,0|1,0,1]=3 1827 B7R0.6 CC(O)CCC(N)=S Amb28078352 [0,1,0,0,0,0|1,1,1]=4 1828 B7R0.6 CC(O)CCS(=O)[O-] Amb27662317 [0,1,0,0,0,0|2,0,1]=4 1829 B7R0.6 CC(O)COC(N)=O Amb26359577 [0,1,0,0,0,0|2,0,1]=4 1830 B7R0.6 CC(S)CCC(=O)O Amb8471198 [0,1,0,0,0,0|0,1,1]=3 1831 B7R0.6 CC(S)CCC(N)=O Amb28399630 [0,1,0,0,0,0|1,1,1]=4 1832 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [0,1,0,0,0,0|3,0,0]=4 1833 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [0,1,0,0,0,0|3,0,0]=4 1834 B7R0.6 CN(C)CCC(=O)O Amb19888182 [0,1,0,0,0,0|2,0,0]=3 1835 B7R0.6 CN(C)CCC(=O)O Amb6633385 [0,1,0,0,0,0|2,0,0]=3 1836 B7R0.6 CN(C)CCC(N)=O Amb17231825 [0,1,0,0,0,0|3,0,0]=4 1837 B7R0.6 CN(C)OCC(=O)O Amb28120004 [0,1,0,0,0,0|3,0,0]=4 1838 B7R0.6 CN(N)CCC(=O)O Amb2698078 [0,1,0,0,0,0|2,0,0]=3 1839 B7R0.6 CN(O)CCC(N)=O Amb27390605 [0,1,0,0,0,0|2,0,0]=3 1840 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,1,0,0,0,0|1,0,0]=2 1841 B7R0.6 CS(=O)CCS(C)=O Amb26455659 [0,1,0,0,0,0|3,0,0]=4 1842 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,1,0,0,0,0|2,0,0]=3 1843 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,1,0,0,0,0|1,0,2]=4 1844 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [0,1,0,0,0,0|1,0,1]=3 1845 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [0,1,0,0,0,0|1,0,1]=3 1846 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [0,1,0,0,0,0|2,0,1]=4 1847 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [0,1,0,0,0,0|1,0,1]=3 1848 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [0,1,0,0,0,0|1,0,1]=3 1849 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,1,0,0,0,0|0,0,2]=3 1850 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [0,1,0,0,0,0|0,1,1]=3 1851 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [0,1,0,0,0,0|2,0,0]=3 1852 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [0,1,0,0,0,0|2,0,1]=4 1853 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [0,1,0,0,0,0|2,0,1]=4 1854 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,1,0,0,0,0|1,0,1]=3 1855 B7R0.6 C\C(O)=N\NC(N)=O Amb17777869 [0,1,0,0,0,0|3,0,0]=4 1856 B7R0.6 N=C(N)CCC(=N)N Amb2696658 [0,1,0,0,0,0|3,0,0]=4 1857 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [0,1,0,0,0,0|2,0,0]=3 1858 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,1,0,0,0,0|2,0,0]=3 1859 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,1,0,0,0,0|2,0,0]=3 1860 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,1,0,0,0,0|2,0,0]=3 1861 B7R0.6 N=C(N)SCC(N)=O Amb22261500 [0,1,0,0,0,0|3,0,0]=4 1862 B7R0.6 NC(=O)C#CC(N)=O Amb6366606 [0,1,0,0,0,0|1,0,2]=4 1863 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,1,0,0,0,0|1,0,0]=2 1864 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,1,0,0,0,0|0,0,0]=1 1865 B7R0.6 NC(=O)CCC(Cl)Cl Amb32671996 [0,1,0,0,0,0|2,0,1]=4 1866 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,1,0,0,0,0|1,0,0]=2 1867 B7R0.6 NC(=O)CCC(O)O Amb27254204 [0,1,0,0,0,0|0,0,2]=3 1868 B7R0.6 NC(=O)CNC(N)=S Amb9212104 [0,1,0,0,0,0|2,1,0]=4 1869 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,1,0,0,0,0|2,0,0]=3 1870 B7R0.6 NC(=O)CSC(N)=S Amb27642551 [0,1,0,0,0,0|2,1,0]=4 1871 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,1,0,0,0,0|1,0,0]=2 1872 B7R0.6 NC(=O)NNC(N)=O Amb6366265 [0,1,0,0,0,0|3,0,0]=4 1873 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,1,0,0,0,0|0,0,2]=3 1874 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,1,0,0,0,0|1,0,2]=4 1875 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,1,0,0,0,0|0,0,2]=3 1876 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,1,0,0,0,0|1,0,2]=4 1877 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,1,0,0,0,0|1,0,1]=3 1878 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,1,0,0,0,0|0,1,0]=2 1879 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,1,0,0,0,0|1,1,0]=3 1880 B7R0.6 NC(=[NH2+])NCC(=O)[O-] Amb4244207 [0,1,0,0,0,0|2,0,1]=4 1881 B7R0.6 NS(=O)CC[N+](=O)[O-] Amb32720434 [0,1,0,0,0,0|2,0,1]=4 1882 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,1,0,0,0,0|1,0,0]=2 1883 B7R0.6 O=C(Cl)SSC(=O)Cl Amb33465476 [0,1,0,0,0,0|3,0,0]=4 1884 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,1,0,0,0,0|1,0,2]=4 1885 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,1,0,0,0,0|0,0,2]=3 1886 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,1,0,0,0,0|1,0,1]=3 1887 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,1,0,0,0,0|1,0,1]=3 1888 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,1,0,0,0,0|0,0,0]=1 1889 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,1,0,0,0,0|0,0,0]=1 1890 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [0,1,0,0,0,0|1,0,1]=3 1891 B7R0.6 O=C(O)CCC(F)F Amb20623135 [0,1,0,0,0,0|1,0,1]=3 1892 B7R0.6 O=C(O)CCN(F)F Amb28370344 [0,1,0,0,0,0|2,0,0]=3 1893 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,1,0,0,0,0|1,0,1]=3 1894 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,1,0,0,0,0|1,0,0]=2 1895 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,1,0,0,0,0|1,0,0]=2 1896 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,1,0,0,0,0|1,0,0]=2 1897 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,1,0,0,0,0|1,0,0]=2 1898 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,1,0,0,0,0|2,0,0]=3 1899 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,1,0,0,0,0|1,0,0]=2 1900 B7R0.6 O=C(O)COC(F)F Amb26635492 [0,1,0,0,0,0|2,0,1]=4 1901 B7R0.6 O=C(O)CSC(F)F Amb9215372 [0,1,0,0,0,0|2,0,1]=4 1902 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,1,0,0,0,0|0,0,2]=3 1903 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,1,0,0,0,0|0,0,2]=3 1904 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,1,0,0,0,0|0,0,2]=3 1905 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,1,0,0,0,0|0,0,2]=3 1906 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,1,0,0,0,0|0,0,2]=3 1907 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,1,0,0,0,0|1,0,2]=4 1908 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,1,0,0,0,0|0,0,2]=3 1909 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,1,0,0,0,0|0,0,2]=3 1910 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,1,0,0,0,0|0,0,2]=3 1911 B7R0.6 O=C([O-])C#CC(=O)[O-] Amb29844449 [0,1,0,0,0,0|0,0,3]=4 1912 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,1,0,0,0,0|0,0,1]=2 1913 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,1,0,0,0,0|0,0,1]=2 1914 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,1,0,0,0,0|0,0,2]=3 1915 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,1,0,0,0,0|0,0,2]=3 1916 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,1,0,0,0,0|0,0,3]=4 1917 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,1,0,0,0,0|0,0,3]=4 1918 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,1,0,0,0,0|0,0,3]=4 1919 B7R0.6 O=[N+]([O-])CCS(=O)Cl Amb32720435 [0,1,0,0,0,0|2,0,1]=4 1920 B7R0.6 O=[N+]([O-])CCS(=O)[O-] Amb32754104 [0,1,0,0,0,0|2,0,1]=4 1921 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,1,0,0,0,0|1,0,0]=2 1922 B7R0.8 C=CCCC(C)(C)O Amb26932721 [0,1,0,0,0,0|2,0,1]=4 1923 B7R0.8 C=CCCS(=O)(=O)Cl Amb18862513 [0,1,0,0,0,0|2,0,1]=4 1924 B7R0.8 C=CCCS(=O)(=O)F Amb32716861 [0,1,0,0,0,0|2,0,1]=4 1925 B7R0.8 C=CCCS(=O)(=O)[O-] Amb33803181 [0,1,0,0,0,0|2,0,1]=4 1926 B7R0.8 C=CCCS(C)(=N)=O Amb33457513 [0,1,0,0,0,0|3,0,0]=4 1927 B7R0.8 C=CCCS(C)(=O)=O Amb33054449 [0,1,0,0,0,0|2,0,1]=4 1928 B7R0.8 C=CCCS(N)(=O)=O Amb26515718 [0,1,0,0,0,0|2,0,1]=4 1929 B7R0.8 C=CCC[S@@](C)(=N)=O Amb33744009 [0,1,0,0,0,0|3,0,0]=4 1930 B7R0.8 CC(C)(C)CCC=O Amb18641814 [0,1,0,0,0,0|2,0,1]=4 1931 B7R0.8 CC(C)(F)CCC=O Amb25223234 [0,1,0,0,0,0|2,0,1]=4 1932 B7R0.8 CC(C)(O)CNC=O Amb28250027 [0,1,0,0,0,0|2,0,1]=4 1933 B7R0.8 CC(F)(F)CCC=O Amb25935601 [0,1,0,0,0,0|2,0,1]=4 1934 B7R0.8 CCCCP(=O)(O)O Amb22053921 [0,1,0,0,0,0|2,0,1]=4 1935 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [0,1,0,0,0,0|2,0,1]=4 1936 B7R0.8 CNCCP(=O)(O)O Amb27751957 [0,1,0,0,0,0|3,0,0]=4 1937 B7R0.8 CNCCS(=O)(=O)O Amb6825625 [0,1,0,0,0,0|3,0,0]=4 1938 B7R0.8 CP(=O)(O)CCC=O Amb27643443 [0,1,0,0,0,0|1,0,0]=2 1939 B7R0.8 CP(=O)(O)CCCN Amb634789 [0,1,0,0,0,0|2,0,1]=4 1940 B7R0.8 CS(=O)(=O)CCC=O Amb28289688 [0,1,0,0,0,0|1,0,1]=3 1941 B7R0.8 CS(=O)(=O)NCC=O Amb17102114 [0,1,0,0,0,0|2,0,1]=4 1942 B7R0.8 C[N+](C)(N)CCC=O Amb28250962 [0,1,0,0,0,0|3,0,0]=4 1943 B7R0.8 NCCCP(=O)(O)O Amb2714831 [0,1,0,0,0,0|2,0,1]=4 1944 B7R0.8 NCCCS(=O)(=O)O Amb3940464 [0,1,0,0,0,0|2,0,1]=4 1945 B7R0.8 O=CC#CP(=O)(O)O Amb27390125 [0,1,0,0,0,0|1,0,2]=4 1946 B7R0.8 O=CCCC(F)(F)F Amb24056014 [0,1,0,0,0,0|2,0,1]=4 1947 B7R0.8 O=CCCC(F)(F)F Amb33544389 [0,1,0,0,0,0|2,0,1]=4 1948 B7R0.8 O=CCOP(=O)(O)O Amb27169501 [0,1,0,0,0,0|2,0,0]=3 1949 B7R0.8 O=CCOS(=O)(=O)O Amb27255602 [0,1,0,0,0,0|2,0,0]=3 1950 B7R0.8 O=P(O)(O)CCCCl Amb22388825 [0,1,0,0,0,0|2,0,1]=4 1951 B7R0.8 O=P(O)(O)CCCO Amb28207371 [0,1,0,0,0,0|1,0,2]=4 1952 B7R0.8 O=S(=O)(O)CCCBr Amb27391135 [0,1,0,0,0,0|2,0,1]=4 1953 B7R0.8 O=S(=O)(O)CCCI Amb29859913 [0,1,0,0,0,0|2,0,1]=4 1954 B7R0.8 O=S(=O)(O)CCCS Amb20620653 [0,1,0,0,0,0|1,1,1]=4 1955 B7R1.2 C=C1COC(=O)C1 Amb24589821 [0,0,0,1,0,0|3,0,0]=4 1956 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [0,0,0,1,0,0|3,0,0]=4 1957 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [0,0,0,1,0,0|2,0,0]=3 1958 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [0,0,0,1,0,0|3,0,0]=4 1959 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [0,0,0,1,0,0|3,0,0]=4 1960 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [0,0,0,1,0,0|3,0,0]=4 1961 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [0,0,0,1,0,0|3,0,0]=4 1962 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [0,0,0,1,0,0|3,0,0]=4 1963 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [0,0,0,1,0,0|3,0,0]=4 1964 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [0,0,0,1,0,0|2,0,0]=3 1965 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [0,0,0,1,0,0|3,0,0]=4 1966 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [0,0,0,1,0,0|3,0,0]=4 1967 B7R1.2 CC1CCC(=O)C1 Amb8513672 [0,0,0,1,0,0|2,0,1]=4 1968 B7R1.2 CC1CCC(=O)N1 Amb19267101 [0,0,0,1,0,0|2,0,1]=4 1969 B7R1.2 CC1CCC(=O)O1 Amb6298321 [0,0,0,1,0,0|1,0,1]=3 1970 B7R1.2 CC1CCC(=O)S1 Amb27252897 [0,0,0,1,0,0|1,1,1]=4 1971 B7R1.2 CC1CNC(=O)O1 Amb19651732 [0,0,0,1,0,0|2,0,1]=4 1972 B7R1.2 CC1COC(=O)O1 Amb8513300 [0,0,0,1,0,0|2,0,1]=4 1973 B7R1.2 CC1OC(=O)CS1 Amb25314322 [0,0,0,1,0,0|2,0,1]=4 1974 B7R1.2 CN1CCC(=O)C1 Amb22236123 [0,0,0,1,0,0|3,0,0]=4 1975 B7R1.2 CN1CCC(=O)C1 Amb8947873 [0,0,0,1,0,0|3,0,0]=4 1976 B7R1.2 CN1CCC(=O)N1 Amb24064860 [0,0,0,1,0,0|3,0,0]=4 1977 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [0,0,0,1,0,0|2,0,1]=4 1978 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [0,0,0,1,0,0|2,0,1]=4 1979 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [0,0,0,1,0,0|1,0,1]=3 1980 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [0,0,0,1,0,0|2,0,1]=4 1981 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [0,0,0,1,0,0|2,0,1]=4 1982 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [0,0,0,1,0,0|1,0,1]=3 1983 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [0,0,0,1,0,0|2,0,1]=4 1984 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [0,0,0,1,0,0|3,0,0]=4 1985 B7R1.2 N=C1C=C(O)CS1 Amb27438020 [0,0,0,1,0,0|3,0,0]=4 1986 B7R1.2 N=C1CC(=O)CS1 Amb27227202 [0,0,0,1,0,0|3,0,0]=4 1987 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [0,0,0,1,0,0|3,0,0]=4 1988 B7R1.2 N=C1NC(=O)CS1 Amb8468365 [0,0,0,1,0,0|3,0,0]=4 1989 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [0,0,0,1,0,0|2,0,0]=3 1990 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [0,0,0,1,0,0|3,0,0]=4 1991 B7R1.2 NC1=CC(=O)NC1 Amb27454229 [0,0,0,1,0,0|3,0,0]=4 1992 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [0,0,0,1,0,0|2,0,1]=4 1993 B7R1.2 NC1=NC(=O)CN1 Amb18639307 [0,0,0,1,0,0|3,0,0]=4 1994 B7R1.2 NC1=NC(=O)CO1 Amb9797441 [0,0,0,1,0,0|3,0,0]=4 1995 B7R1.2 NC1=NC(=O)CS1 Amb6364701 [0,0,0,1,0,0|3,0,0]=4 1996 B7R1.2 NC1=NC(=O)NC1 Amb22059492 [0,0,0,1,0,0|3,0,0]=4 1997 B7R1.2 NC1=NCC(=O)N1 Amb21964674 [0,0,0,1,0,0|3,0,0]=4 1998 B7R1.2 NC1=NCC(=O)N1 Amb475286 [0,0,0,1,0,0|3,0,0]=4 1999 B7R1.2 NC1=NCC(=O)S1 Amb25810910 [0,0,0,1,0,0|2,1,0]=4 2000 B7R1.2 NC1CCC(=O)C1 Amb22494268 [0,0,0,1,0,0|2,0,1]=4 2001 B7R1.2 NC1CCC(=O)N1 Amb24480433 [0,0,0,1,0,0|2,0,1]=4 2002 B7R1.2 NC1CCC(=O)O1 Amb17593085 [0,0,0,1,0,0|1,0,1]=3 2003 B7R1.2 N[C@H]1CCC(=O)N1 Amb27482175 [0,0,0,1,0,0|2,0,1]=4 2004 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [0,0,0,1,0,0|2,0,0]=3 2005 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [0,0,0,1,0,0|3,0,0]=4 2006 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [0,0,0,1,0,0|3,0,0]=4 2007 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [0,0,0,1,0,0|2,0,0]=3 2008 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [0,0,0,1,0,0|3,0,0]=4 2009 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [0,0,0,1,0,0|1,0,0]=2 2010 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [0,0,0,1,0,0|2,0,0]=3 2011 B7R1.2 O=C1C=C(O)CO1 Amb628324 [0,0,0,1,0,0|2,0,0]=3 2012 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [0,0,0,1,0,0|2,1,0]=4 2013 B7R1.2 O=C1C=C(S)CS1 Amb27877546 [0,0,0,1,0,0|2,1,0]=4 2014 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [0,0,0,1,0,0|1,0,2]=4 2015 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [0,0,0,1,0,0|1,0,2]=4 2016 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [0,0,0,1,0,0|0,0,2]=3 2017 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [0,0,0,1,0,0|0,0,2]=3 2018 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [0,0,0,1,0,0|1,0,2]=4 2019 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [0,0,0,1,0,0|3,0,0]=4 2020 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [0,0,0,1,0,0|3,0,0]=4 2021 B7R1.2 O=C1CC(O)CN1 Amb19958404 [0,0,0,1,0,0|2,0,1]=4 2022 B7R1.2 O=C1CC(O)CO1 Amb4006296 [0,0,0,1,0,0|2,0,1]=4 2023 B7R1.2 O=C1CC=C(Br)S1 Amb25961289 [0,0,0,1,0,0|1,1,1]=4 2024 B7R1.2 O=C1CC=C(S)S1 Amb27621600 [0,0,0,1,0,0|0,2,1]=4 2025 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [0,0,0,1,0,0|1,0,0]=2 2026 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [0,0,0,1,0,0|1,0,0]=2 2027 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [0,0,0,1,0,0|0,0,0]=1 2028 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [0,0,0,1,0,0|0,1,0]=2 2029 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [0,0,0,1,0,0|1,1,0]=3 2030 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [0,0,0,1,0,0|2,0,1]=4 2031 B7R1.2 O=C1CCC(Br)N1 Amb27592181 [0,0,0,1,0,0|2,0,1]=4 2032 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [0,0,0,1,0,0|1,0,1]=3 2033 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [0,0,0,1,0,0|2,0,1]=4 2034 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [0,0,0,1,0,0|1,0,1]=3 2035 B7R1.2 O=C1CCC(F)C1 Amb21963553 [0,0,0,1,0,0|2,0,1]=4 2036 B7R1.2 O=C1CCC(O)C1 Amb22057378 [0,0,0,1,0,0|1,0,1]=3 2037 B7R1.2 O=C1CCC(O)O1 Amb22740957 [0,0,0,1,0,0|0,0,2]=3 2038 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [0,0,0,1,0,0|2,0,0]=3 2039 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [0,0,0,1,0,0|1,0,1]=3 2040 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [0,0,0,1,0,0|1,0,1]=3 2041 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [0,0,0,1,0,0|1,0,1]=3 2042 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [0,0,0,1,0,0|1,0,1]=3 2043 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [0,0,0,1,0,0|2,1,0]=4 2044 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,0,0,1,0,0|2,0,0]=3 2045 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [0,0,0,1,0,0|2,0,0]=3 2046 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [0,0,0,1,0,0|1,0,0]=2 2047 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [0,0,0,1,0,0|1,1,0]=3 2048 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [0,0,0,1,0,0|2,1,0]=4 2049 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [0,0,0,1,0,0|1,1,0]=3 2050 B7R1.2 O=C1CNC(=S)S1 Amb621648 [0,0,0,1,0,0|1,2,0]=4 2051 B7R1.2 O=C1COC(=O)C1 Amb2721303 [0,0,0,1,0,0|2,0,0]=3 2052 B7R1.2 O=C1COC(=O)N1 Amb1625991 [0,0,0,1,0,0|2,0,0]=3 2053 B7R1.2 O=C1COC(=O)O1 Amb27837383 [0,0,0,1,0,0|1,0,0]=2 2054 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [0,0,0,1,0,0|2,0,0]=3 2055 B7R1.2 O=C1COC(Br)=N1 Amb29849631 [0,0,0,1,0,0|3,0,0]=4 2056 B7R1.2 O=C1COC(I)=N1 Amb29849639 [0,0,0,1,0,0|3,0,0]=4 2057 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,0,0,1,0,0|2,0,0]=3 2058 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [0,0,0,1,0,0|2,0,0]=3 2059 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [0,0,0,1,0,0|2,0,0]=3 2060 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [0,0,0,1,0,0|2,1,0]=4 2061 B7R1.2 O=C1CSC(Br)=N1 Amb29850234 [0,0,0,1,0,0|3,0,0]=4 2062 B7R1.2 O=C1CSC(Cl)=N1 Amb29850164 [0,0,0,1,0,0|3,0,0]=4 2063 B7R1.2 O=C1CSC(S)=N1 Amb837069 [0,0,0,1,0,0|2,1,0]=4 2064 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [0,0,0,1,0,0|2,0,1]=4 2065 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [0,0,0,1,0,0|2,0,1]=4 2066 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [0,0,0,1,0,0|2,0,1]=4 2067 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [0,0,0,1,0,0|2,0,1]=4 2068 B7R1.2 O=C1NC(=S)CO1 Amb28384997 [0,0,0,1,0,0|2,1,0]=4 2069 B7R1.2 O=C1NC(=S)CS1 Amb2469502 [0,0,0,1,0,0|2,1,0]=4 2070 B7R1.2 O=C1NCC(=S)N1 Amb2794498 [0,0,0,1,0,0|2,1,0]=4 2071 B7R1.2 O=C1NCC(=S)S1 Amb27785367 [0,0,0,1,0,0|1,2,0]=4 2072 B7R1.2 O=C1NNC(=O)N1 Amb20660475 [0,0,0,1,0,0|3,0,0]=4 2073 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [0,0,0,1,0,0|3,0,0]=4 2074 B7R1.2 O=C1OC(O)CS1 Amb28066979 [0,0,0,1,0,0|1,0,2]=4 2075 B7R1.2 O=C1OCC(Cl)O1 Amb10842117 [0,0,0,1,0,0|2,0,1]=4 2076 B7R1.2 O=C1OCC(F)O1 Amb10841016 [0,0,0,1,0,0|2,0,1]=4 2077 B7R1.2 O=S1CCC(O)C1 Amb26600157 [0,0,0,1,0,0|2,0,1]=4 2078 B7R1.2 O=S1CCS(=O)C1 Amb27217021 [0,0,0,1,0,0|3,0,0]=4 2079 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [0,0,0,1,0,0|2,0,1]=4 2080 B7R1.2 OC1C=C(Br)CC1 Amb8391790 [0,0,0,1,0,0|2,0,1]=4 2081 B7R1.2 OC1C=C(I)CC1 Amb26903566 [0,0,0,1,0,0|2,0,1]=4 2082 B7R1.2 O[C@@H]1C=C(Br)CC1 Amb24479014 [0,0,0,1,0,0|2,0,1]=4 2083 B7R1.2 O[C@H]1C=C(Br)CC1 Amb27213930 [0,0,0,1,0,0|2,0,1]=4 2084 B7R1.2 S=C1CCC(=S)N1 Amb24479225 [0,0,0,1,0,0|1,2,0]=4 2085 B7R1.3 C=C1CCCCO1 Amb28345156 [0,0,0,1,0,0|2,0,1]=4 2086 B7R1.3 O=C1C=CC=CO1 Amb21951679 [0,0,0,1,0,0|1,0,2]=4 2087 B7R1.3 O=C1C=CCCC1 Amb17843126 [0,0,0,1,0,0|2,0,1]=4 2088 B7R1.3 O=C1C=CNCC1 Amb2700614 [0,0,0,1,0,0|3,0,0]=4 2089 B7R1.3 O=C1C=COCC1 Amb22000873 [0,0,0,1,0,0|3,0,0]=4 2090 B7R1.3 O=C1C=CSCC1 Amb25375022 [0,0,0,1,0,0|3,0,0]=4 2091 B7R1.3 O=C1C=NC=NC1 Amb24093715 [0,0,0,1,0,0|3,0,0]=4 2092 B7R1.3 O=C1CCC=CN1 Amb26365285 [0,0,0,1,0,0|2,0,0]=3 2093 B7R1.3 O=C1CCCCC1 Amb2793026 [0,0,0,1,0,0|2,0,1]=4 2094 B7R1.3 O=C1CCCCN1 Amb6892006 [0,0,0,1,0,0|2,0,1]=4 2095 B7R1.3 O=C1CCCCO1 Amb8513592 [0,0,0,1,0,0|1,0,1]=3 2096 B7R1.3 O=C1CCCCS1 Amb25186924 [0,0,0,1,0,0|1,1,1]=4 2097 B7R1.3 O=C1CCCNC1 Amb10070944 [0,0,0,1,0,0|2,0,1]=4 2098 B7R1.3 O=C1CCCNC1 Amb10602349 [0,0,0,1,0,0|2,0,1]=4 2099 B7R1.3 O=C1CCCNC1 Amb19958010 [0,0,0,1,0,0|2,0,1]=4 2100 B7R1.3 O=C1CCCNN1 Amb18061622 [0,0,0,1,0,0|2,0,1]=4 2101 B7R1.3 O=C1CCCOC1 Amb19373430 [0,0,0,1,0,0|1,0,2]=4 2102 B7R1.3 O=C1CCCON1 Amb26560803 [0,0,0,1,0,0|1,0,2]=4 2103 B7R1.3 O=C1CCCSC1 Amb13952257 [0,0,0,1,0,0|1,1,1]=4 2104 B7R1.3 O=C1CCN=CN1 Amb27447786 [0,0,0,1,0,0|3,0,0]=4 2105 B7R1.3 O=C1CCNCC1 Amb2690392 [0,0,0,1,0,0|3,0,0]=4 2106 B7R1.3 O=C1CCNCC1 Amb2793002 [0,0,0,1,0,0|3,0,0]=4 2107 B7R1.3 O=C1CCNCC1 Amb8394939 [0,0,0,1,0,0|3,0,0]=4 2108 B7R1.3 O=C1CCNCN1 Amb27458283 [0,0,0,1,0,0|3,0,0]=4 2109 B7R1.3 O=C1CCOCC1 Amb2725565 [0,0,0,1,0,0|3,0,0]=4 2110 B7R1.3 O=C1CCSCC1 Amb1154265 [0,0,0,1,0,0|3,0,0]=4 2111 B7R1.3 O=C1CNC=NN1 Amb27817820 [0,0,0,1,0,0|3,0,0]=4 2112 B7R1.3 O=C1CNCCO1 Amb19958702 [0,0,0,1,0,0|2,0,1]=4 2113 B7R1.3 O=C1CNCCO1 Amb32410210 [0,0,0,1,0,0|2,0,1]=4 2114 B7R1.3 O=C1COCCO1 Amb17933352 [0,0,0,1,0,0|2,0,1]=4 2115 B7R1.3 O=C1CSC=CN1 Amb2386683 [0,0,0,1,0,0|3,0,0]=4 2116 B7R1.3 O=C1CSCCO1 Amb28069740 [0,0,0,1,0,0|2,0,1]=4 2117 B7R1.3 O=C1NCCCO1 Amb10608499 [0,0,0,1,0,0|2,0,1]=4 2118 B7R1.3 O=C1OCCCO1 Amb4034896 [0,0,0,1,0,0|2,0,1]=4 2119 B7R1.3 OC1=CN=NCC1 Amb22756935 [0,0,0,1,0,0|3,0,0]=4 2120 B7R1.5 C=CCC1CC1O Amb26478050 [0,0,0,1,0,0|2,0,1]=4 2121 B7R1.5 C=CC[C@@H]1C[C@@H]1O Amb28053769 [0,0,0,1,0,0|2,0,1]=4 2122 B7R1.5 CC1CC1CC=O Amb25737156 [0,0,0,1,0,0|2,0,1]=4 2123 B7R1.7 C=CCCC1CO1 Amb3940512 [0,0,0,1,0,0|2,0,1]=4 2124 B7R1.7 C=CCC[C@@H]1CO1 Amb28050706 [0,0,0,1,0,0|2,0,1]=4 2125 B7R1.7 C=CCC[C@H]1CO1 Amb24429350 [0,0,0,1,0,0|2,0,1]=4 2126 B7R1.7 O=CCC=C1CC1 Amb27799822 [0,0,0,1,0,0|2,0,1]=4 2127 B7R1.7 O=CCCC1CC1 Amb21864768 [0,0,0,1,0,0|2,0,1]=4 2128 B7R1.7 O=COCC1CO1 Amb24632689 [0,0,0,1,0,0|2,0,1]=4 2129 B7R1.10 C#CC1CC(=O)C1 Amb27874486 [0,0,0,1,0,0|2,0,1]=4 2130 B7R1.10 C=C1CC(C=O)C1 Amb22896623 [0,0,0,1,0,0|2,0,0]=3 2131 B7R1.10 C=C1CN(C=O)C1 Amb30028121 [0,0,0,1,0,0|3,0,0]=4 2132 B7R1.10 C=CC1CC(=O)C1 Amb26409138 [0,0,0,1,0,0|2,0,0]=3 2133 B7R1.10 C=CC1CC(=O)N1 Amb26507633 [0,0,0,1,0,0|2,0,0]=3 2134 B7R1.10 C=C[C@@H]1CC(=O)N1 Amb27589344 [0,0,0,1,0,0|2,0,0]=3 2135 B7R1.10 C=C[C@H]1C[C@@H](O)C1 Amb27981576 [0,0,0,1,0,0|2,0,1]=4 2136 B7R1.10 CC1CC(C=O)C1 Amb27827798 [0,0,0,1,0,0|2,0,1]=4 2137 B7R1.10 CCC1CC(=O)C1 Amb24406738 [0,0,0,1,0,0|2,0,1]=4 2138 B7R1.10 COC1CC(=O)C1 Amb22754340 [0,0,0,1,0,0|3,0,0]=4 2139 B7R1.10 COC1CC(=O)N1 Amb27802279 [0,0,0,1,0,0|3,0,0]=4 2140 B7R1.10 CSC1CC(=O)C1 Amb32655823 [0,0,0,1,0,0|3,0,0]=4 2141 B7R1.10 CSC1CC(=O)N1 Amb25265230 [0,0,0,1,0,0|3,0,0]=4 2142 B7R1.10 CS[C@@H]1CC(=O)N1 Amb27981333 [0,0,0,1,0,0|3,0,0]=4 2143 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [0,0,0,1,0,0|2,0,1]=4 2144 B7R1.10 NCC1CC(=O)C1 Amb18251063 [0,0,0,1,0,0|2,0,1]=4 2145 B7R1.10 NCC1CC(=O)C1 Amb22406094 [0,0,0,1,0,0|2,0,1]=4 2146 B7R1.10 NCC1CC(=O)N1 Amb25230632 [0,0,0,1,0,0|2,0,1]=4 2147 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [0,0,0,1,0,0|2,0,1]=4 2148 B7R1.10 O=C1CC(CBr)O1 Amb26981027 [0,0,0,1,0,0|1,0,1]=3 2149 B7R1.10 O=C1CC(CCl)C1 Amb10610581 [0,0,0,1,0,0|2,0,1]=4 2150 B7R1.10 O=C1CC(CCl)O1 Amb28322279 [0,0,0,1,0,0|1,0,1]=3 2151 B7R1.10 O=C1CC(CF)C1 Amb26416198 [0,0,0,1,0,0|2,0,1]=4 2152 B7R1.10 O=C1CC(CI)N1 Amb27838210 [0,0,0,1,0,0|2,0,1]=4 2153 B7R1.10 O=C1CC(CO)C1 Amb16231082 [0,0,0,1,0,0|1,0,2]=4 2154 B7R1.10 O=C1CC(CO)N1 Amb22388379 [0,0,0,1,0,0|1,0,2]=4 2155 B7R1.10 O=C1C[C@H](CO)N1 Amb26887642 [0,0,0,1,0,0|1,0,2]=4 2156 B7R1.10 O=CC1CC(F)C1 Amb28198994 [0,0,0,1,0,0|2,0,1]=4 2157 B7R1.10 O=CC1CC(O)C1 Amb33512133 [0,0,0,1,0,0|1,0,1]=3 2158 B7R1.12 C=C1CC1C(=O)O Amb9774969 [0,0,0,1,0,0|1,0,0]=2 2159 B7R1.12 C=C1CC1C(N)=O Amb28191145 [0,0,0,1,0,0|2,0,0]=3 2160 B7R1.12 CC(=O)C1CC1C Amb25720437 [0,0,0,1,0,0|2,0,1]=4 2161 B7R1.12 CC(=O)C1N=C1C Amb28050540 [0,0,0,1,0,0|3,0,0]=4 2162 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [0,0,0,1,0,0|2,0,1]=4 2163 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [0,0,0,1,0,0|2,0,1]=4 2164 B7R1.12 CC1=CC1C(=O)O Amb27157805 [0,0,0,1,0,0|1,0,1]=3 2165 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [0,0,0,1,0,0|2,0,1]=4 2166 B7R1.12 CC1CC1C(=O)O Amb9703126 [0,0,0,1,0,0|1,0,1]=3 2167 B7R1.12 CC1CC1C(N)=O Amb8858378 [0,0,0,1,0,0|2,0,1]=4 2168 B7R1.12 CC1OC1C(=O)O Amb17593088 [0,0,0,1,0,0|2,0,1]=4 2169 B7R1.12 CC1SC1C(=O)O Amb27195238 [0,0,0,1,0,0|2,0,1]=4 2170 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [0,0,0,1,0,0|2,0,1]=4 2171 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [0,0,0,1,0,0|1,0,1]=3 2172 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [0,0,0,1,0,0|2,0,1]=4 2173 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [0,0,0,1,0,0|1,0,1]=3 2174 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [0,0,0,1,0,0|2,0,1]=4 2175 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [0,0,0,1,0,0|2,0,1]=4 2176 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [0,0,0,1,0,0|2,0,1]=4 2177 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [0,0,0,1,0,0|2,0,1]=4 2178 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [0,0,0,1,0,0|1,0,1]=3 2179 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [0,0,0,1,0,0|2,0,1]=4 2180 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [0,0,0,1,0,0|1,0,1]=3 2181 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [0,0,0,1,0,0|2,0,1]=4 2182 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [0,0,0,1,0,0|2,0,1]=4 2183 B7R1.12 NC(=O)C1CC1Br Amb27838278 [0,0,0,1,0,0|2,0,1]=4 2184 B7R1.12 NC(=O)C1CC1F Amb26026786 [0,0,0,1,0,0|2,0,1]=4 2185 B7R1.12 NC(=O)C1CC1N Amb18279694 [0,0,0,1,0,0|2,0,1]=4 2186 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F Amb27758752 [0,0,0,1,0,0|2,0,1]=4 2187 B7R1.12 NC(=O)[C@@H]1C[C@H]1F Amb27403700 [0,0,0,1,0,0|2,0,1]=4 2188 B7R1.12 NC1CC1C(=O)O Amb7762823 [0,0,0,1,0,0|1,0,1]=3 2189 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [0,0,0,1,0,0|1,0,1]=3 2190 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [0,0,0,1,0,0|1,0,1]=3 2191 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [0,0,0,1,0,0|1,0,0]=2 2192 B7R1.12 O=C(Cl)C1CC1Cl Amb27865442 [0,0,0,1,0,0|2,0,1]=4 2193 B7R1.12 O=C(Cl)C1CC1F Amb8389490 [0,0,0,1,0,0|2,0,1]=4 2194 B7R1.12 O=C(Cl)[C@@H]1C[C@@H]1Cl Amb28291528 [0,0,0,1,0,0|2,0,1]=4 2195 B7R1.12 O=C(Cl)[C@H]1C[C@@H]1F Amb22224871 [0,0,0,1,0,0|2,0,1]=4 2196 B7R1.12 O=C(O)C1CC1Br Amb27760446 [0,0,0,1,0,0|1,0,1]=3 2197 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [0,0,0,1,0,0|1,0,1]=3 2198 B7R1.12 O=C(O)C1CC1F Amb22490547 [0,0,0,1,0,0|1,0,1]=3 2199 B7R1.12 O=C(O)C1CC1I Amb26047069 [0,0,0,1,0,0|1,0,1]=3 2200 B7R1.12 O=C(O)C1CC1S Amb20246988 [0,0,0,1,0,0|0,1,1]=3 2201 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [0,0,0,1,0,0|1,0,1]=3 2202 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [0,0,0,1,0,0|1,0,1]=3 2203 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [0,0,0,1,0,0|1,0,1]=3 2204 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [0,0,0,1,0,0|1,0,1]=3 2205 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [0,0,0,1,0,0|1,0,1]=3 2206 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [0,0,0,1,0,0|1,0,1]=3 2207 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [0,0,0,1,0,0|1,0,1]=3 2208 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [0,0,0,1,0,0|1,0,1]=3 2209 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [0,0,0,1,0,0|1,0,1]=3 2210 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [0,0,0,1,0,0|1,0,1]=3 2211 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [0,0,0,1,0,0|1,0,1]=3 2212 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [0,0,0,1,0,0|1,0,1]=3 2213 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [0,0,0,1,0,0|1,0,1]=3 2214 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [0,0,0,1,0,0|1,0,1]=3 2215 B7R1.14 CP1(=O)C=CCC1 Amb27833507 [0,0,0,1,0,0|3,0,0]=4 2216 B7R1.14 O=P1(F)C=CCC1 Amb35789660 [0,0,0,1,0,0|3,0,0]=4 2217 B7R1.14 O=S1(=O)C=CCC1 Amb1099221 [0,0,0,1,0,0|2,0,1]=4 2218 B7R1.14 O=S1(=O)CCC=N1 Amb21964374 [0,0,0,1,0,0|2,0,1]=4 2219 B7R1.17 CC1(C)CCC1=O Amb28050382 [0,0,0,1,0,0|2,0,1]=4 2220 B7R1.18 CC(=O)C1CCC1 Amb4037098 [0,0,0,1,0,0|2,0,1]=4 2221 B7R1.18 CC(=O)C1CCN1 Amb28142364 [0,0,0,1,0,0|2,0,1]=4 2222 B7R1.18 CC(=O)C1CNC1 Amb23400009 [0,0,0,1,0,0|3,0,0]=4 2223 B7R1.18 CC(=O)C1CNC1 Amb23401240 [0,0,0,1,0,0|3,0,0]=4 2224 B7R1.18 CC(=O)C1CNC1 Amb33473586 [0,0,0,1,0,0|3,0,0]=4 2225 B7R1.18 CC(=O)C1COC1 Amb27397483 [0,0,0,1,0,0|3,0,0]=4 2226 B7R1.18 CC(=O)C1CSC1 Amb29849423 [0,0,0,1,0,0|3,0,0]=4 2227 B7R1.18 CC(=O)N1C=CC1 Amb22001815 [0,0,0,1,0,0|3,0,0]=4 2228 B7R1.18 NC(=O)C1CCC1 Amb33552668 [0,0,0,1,0,0|2,0,1]=4 2229 B7R1.18 NC(=O)C1CCN1 Amb22230240 [0,0,0,1,0,0|2,0,1]=4 2230 B7R1.18 NC(=O)C1CCN1 Amb22491865 [0,0,0,1,0,0|2,0,1]=4 2231 B7R1.18 NC(=O)C1CNC1 Amb10976072 [0,0,0,1,0,0|3,0,0]=4 2232 B7R1.18 NC(=O)C1CNC1 Amb20061301 [0,0,0,1,0,0|3,0,0]=4 2233 B7R1.18 NC(=O)C1CNC1 Amb21960249 [0,0,0,1,0,0|3,0,0]=4 2234 B7R1.18 NC(=O)C1CSC1 Amb27209831 [0,0,0,1,0,0|3,0,0]=4 2235 B7R1.18 NC(=O)[C@@H]1CCN1 Amb27454228 [0,0,0,1,0,0|2,0,1]=4 2236 B7R1.18 O=C(Br)C1CCC1 Amb28291328 [0,0,0,1,0,0|2,0,1]=4 2237 B7R1.18 O=C(Cl)C1CCC1 Amb33528386 [0,0,0,1,0,0|2,0,1]=4 2238 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [0,0,0,1,0,0|1,0,2]=4 2239 B7R1.18 O=C(O)C1CCC1 Amb2686619 [0,0,0,1,0,0|1,0,1]=3 2240 B7R1.18 O=C(O)C1CCN1 Amb2371568 [0,0,0,1,0,0|1,0,1]=3 2241 B7R1.18 O=C(O)C1CCN1 Amb8391098 [0,0,0,1,0,0|1,0,1]=3 2242 B7R1.18 O=C(O)C1CCO1 Amb2383526 [0,0,0,1,0,0|0,0,2]=3 2243 B7R1.18 O=C(O)C1CCS1 Amb27209836 [0,0,0,1,0,0|0,1,1]=3 2244 B7R1.18 O=C(O)C1CNC1 Amb2444164 [0,0,0,1,0,0|2,0,0]=3 2245 B7R1.18 O=C(O)C1CNC1 Amb8384273 [0,0,0,1,0,0|2,0,0]=3 2246 B7R1.18 O=C(O)C1COC1 Amb33542663 [0,0,0,1,0,0|2,0,0]=3 2247 B7R1.18 O=C(O)C1CSC1 Amb20171470 [0,0,0,1,0,0|2,0,0]=3 2248 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [0,0,0,1,0,0|1,0,1]=3 2249 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [0,0,0,1,0,0|1,0,1]=3 2250 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [0,0,0,1,0,0|0,0,2]=3 2251 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [0,0,0,1,0,0|1,0,1]=3 2252 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [0,0,0,1,0,0|1,0,1]=3 2253 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [0,0,0,1,0,0|0,0,2]=3 2254 B7R1.20 CC(=O)CC1CC1 Amb10603417 [0,0,0,1,0,0|2,0,1]=4 2255 B7R1.20 NC(=O)CC1CC1 Amb33552967 [0,0,0,1,0,0|2,0,1]=4 2256 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [0,0,0,1,0,0|2,0,1]=4 2257 B7R1.20 O=C(O)CC1CC1 Amb2686657 [0,0,0,1,0,0|1,0,1]=3 2258 B7R1.20 O=C(O)CC1CO1 Amb25244347 [0,0,0,1,0,0|0,0,2]=3 2259 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [0,0,0,1,0,0|0,0,2]=3 2260 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [0,0,0,1,0,0|0,0,2]=3 2261 B7R1.23 CC1(Br)CC1C=O Amb25679179 [0,0,0,1,0,0|2,0,1]=4 2262 B7R1.23 CC1(C)CC1C=O Amb28071200 [0,0,0,1,0,0|2,0,1]=4 2263 B7R1.23 CC1(C)C[C@@H]1C=O Amb26416941 [0,0,0,1,0,0|2,0,1]=4 2264 B7R1.23 C[C@]1(Br)C[C@@H]1C=O Amb27215359 [0,0,0,1,0,0|2,0,1]=4 2265 B7R1.23 O=CC1CC1(Cl)Cl Amb25187914 [0,0,0,1,0,0|2,0,1]=4 2266 B7R1.23 O=CC1CC1(F)F Amb22002395 [0,0,0,1,0,0|2,0,1]=4 2267 B4R0.1 C#CC(=O)O Amb6600128 [2,0,0,0,0,0|0,0,2]=4 2268 B4R0.1 C=C(Br)C=O Amb33546871 [2,0,0,0,0,0|2,0,0]=4 2269 B4R0.1 C=C(C)C=O Amb3941638 [2,0,0,0,0,0|2,0,0]=4 2270 B4R0.1 C=C(Cl)C=O Amb26318564 [2,0,0,0,0,0|2,0,0]=4 2271 B4R0.1 C=C(Cl)CC Amb22228725 [2,0,0,0,0,0|2,0,0]=4 2272 B4R0.1 C=C(F)C=O Amb27403515 [2,0,0,0,0,0|2,0,0]=4 2273 B4R0.1 C=C(I)C=O Amb25747223 [2,0,0,0,0,0|2,0,0]=4 2274 B4R0.1 C=CC(=O)Cl Amb17942845 [2,0,0,0,0,0|1,0,1]=4 2275 B4R0.1 C=CC(=O)O Amb2792871 [2,0,0,0,0,0|0,0,1]=3 2276 B4R0.1 C=CC(=O)[O-] Amb17942810 [2,0,0,0,0,0|0,0,2]=4 2277 B4R0.1 C=CC(=O)[O-] Amb22167662 [2,0,0,0,0,0|0,0,2]=4 2278 B4R0.1 C=CC(C)=O Amb6608725 [2,0,0,0,0,0|1,0,1]=4 2279 B4R0.1 C=CC(N)=O Amb3940456 [2,0,0,0,0,0|1,0,1]=4 2280 B4R0.1 CC(=O)C=O Amb3940421 [2,0,0,0,0,0|1,0,0]=3 2281 B4R0.1 CC(=O)C=S Amb28118569 [2,0,0,0,0,0|1,1,0]=4 2282 B4R0.1 CC(=O)CBr Amb6673867 [2,0,0,0,0,0|2,0,0]=4 2283 B4R0.1 CC(=O)CCl Amb2792923 [2,0,0,0,0,0|2,0,0]=4 2284 B4R0.1 CC(=O)CI Amb22831972 [2,0,0,0,0,0|2,0,0]=4 2285 B4R0.1 CC(=O)CN Amb10603379 [2,0,0,0,0,0|2,0,0]=4 2286 B4R0.1 CC(=O)CN Amb22489444 [2,0,0,0,0,0|2,0,0]=4 2287 B4R0.1 CC(=O)CN Amb8393368 [2,0,0,0,0,0|2,0,0]=4 2288 B4R0.1 CC(=O)CO Amb2404925 [2,0,0,0,0,0|1,0,1]=4 2289 B4R0.1 CC(=O)CS Amb19148935 [2,0,0,0,0,0|1,1,0]=4 2290 B4R0.1 CC(O)C=O Amb24477285 [2,0,0,0,0,0|1,0,1]=4 2291 B4R0.1 CCB(O)O Amb8387605 [2,0,0,0,0,0|1,0,1]=4 2292 B4R0.1 CCC(=N)N Amb2695032 [2,0,0,0,0,0|2,0,0]=4 2293 B4R0.1 CCC(=N)N Amb6316131 [2,0,0,0,0,0|2,0,0]=4 2294 B4R0.1 CCC(=O)Br Amb8517649 [2,0,0,0,0,0|1,0,0]=3 2295 B4R0.1 CCC(=O)Cl Amb2792924 [2,0,0,0,0,0|1,0,0]=3 2296 B4R0.1 CCC(=O)F Amb10839798 [2,0,0,0,0,0|1,0,0]=3 2297 B4R0.1 CCC(=O)O Amb3938995 [2,0,0,0,0,0|0,0,0]=2 2298 B4R0.1 CCC(=O)S Amb26953905 [2,0,0,0,0,0|0,1,0]=3 2299 B4R0.1 CCC(=O)[O-] Amb22731204 [2,0,0,0,0,0|0,0,1]=3 2300 B4R0.1 CCC(=O)[O-] Amb8513417 [2,0,0,0,0,0|0,0,1]=3 2301 B4R0.1 CCC(C)=O Amb4606002 [2,0,0,0,0,0|1,0,0]=3 2302 B4R0.1 CCC(C)O Amb9748253 [2,0,0,0,0,0|1,0,1]=4 2303 B4R0.1 CCC(N)=O Amb3886522 [2,0,0,0,0,0|1,0,0]=3 2304 B4R0.1 CCC(N)=S Amb1114671 [2,0,0,0,0,0|1,1,0]=4 2305 B4R0.1 CCC(O)F Amb27763763 [2,0,0,0,0,0|1,0,1]=4 2306 B4R0.1 CCC(O)O Amb28280915 [2,0,0,0,0,0|0,0,2]=4 2307 B4R0.1 CCN(C)O Amb25746619 [2,0,0,0,0,0|2,0,0]=4 2308 B4R0.1 CCS(=O)Cl Amb24647938 [2,0,0,0,0,0|2,0,0]=4 2309 B4R0.1 CCS(=O)O Amb24332177 [2,0,0,0,0,0|1,0,0]=3 2310 B4R0.1 CCS(=O)[O-] Amb17943109 [2,0,0,0,0,0|1,0,1]=4 2311 B4R0.1 CCS(=O)[O-] Amb22411287 [2,0,0,0,0,0|1,0,1]=4 2312 B4R0.1 CCS(C)=O Amb25301908 [2,0,0,0,0,0|2,0,0]=4 2313 B4R0.1 CCS(N)=O Amb24734600 [2,0,0,0,0,0|2,0,0]=4 2314 B4R0.1 CC[C@@H](C)O Amb8514550 [2,0,0,0,0,0|1,0,1]=4 2315 B4R0.1 CC[C@H](C)O Amb4606006 [2,0,0,0,0,0|1,0,1]=4 2316 B4R0.1 CC[N+](=O)[O-] Amb6608854 [2,0,0,0,0,0|1,0,1]=4 2317 B4R0.1 CC[PH](=O)O Amb8391284 [2,0,0,0,0,0|1,0,0]=3 2318 B4R0.1 CN(O)C=O Amb28291395 [2,0,0,0,0,0|2,0,0]=4 2319 B4R0.1 CNC(=O)Cl Amb17942998 [2,0,0,0,0,0|2,0,0]=4 2320 B4R0.1 CNC(=O)F Amb27778388 [2,0,0,0,0,0|2,0,0]=4 2321 B4R0.1 CNC(C)=O Amb3886523 [2,0,0,0,0,0|2,0,0]=4 2322 B4R0.1 CNC(N)=O Amb1152075 [2,0,0,0,0,0|2,0,0]=4 2323 B4R0.1 COC(=O)Cl Amb3940230 [2,0,0,0,0,0|2,0,0]=4 2324 B4R0.1 COC(=O)[O-] Amb25688001 [2,0,0,0,0,0|1,0,1]=4 2325 B4R0.1 COC(C)=O Amb6608821 [2,0,0,0,0,0|2,0,0]=4 2326 B4R0.1 COC(N)=O Amb6608701 [2,0,0,0,0,0|2,0,0]=4 2327 B4R0.1 CO[PH](=O)O Amb27489021 [2,0,0,0,0,0|2,0,0]=4 2328 B4R0.1 CSC(=O)Cl Amb22336225 [2,0,0,0,0,0|2,0,0]=4 2329 B4R0.1 CSC(N)=O Amb25082577 [2,0,0,0,0,0|2,0,0]=4 2330 B4R0.1 C[C@@H](O)C=O Amb25745956 [2,0,0,0,0,0|1,0,1]=4 2331 B4R0.1 NC(=O)CBr Amb4477263 [2,0,0,0,0,0|2,0,0]=4 2332 B4R0.1 NC(=O)CCl Amb1933827 [2,0,0,0,0,0|2,0,0]=4 2333 B4R0.1 NC(=O)CF Amb6891955 [2,0,0,0,0,0|2,0,0]=4 2334 B4R0.1 NC(=O)CI Amb2688829 [2,0,0,0,0,0|2,0,0]=4 2335 B4R0.1 NC(=O)CO Amb1804460 [2,0,0,0,0,0|1,0,1]=4 2336 B4R0.1 NC(=O)CS Amb2724286 [2,0,0,0,0,0|1,1,0]=4 2337 B4R0.1 NC(=O)C[SiH3] Amb27807227 [2,0,0,0,0,0|1,1,0]=4 2338 B4R0.1 NCC(=O)Br Amb27810916 [2,0,0,0,0,0|2,0,0]=4 2339 B4R0.1 NCC(=O)Cl Amb6740270 [2,0,0,0,0,0|2,0,0]=4 2340 B4R0.1 NCC(=O)O Amb2609025 [2,0,0,0,0,0|1,0,0]=3 2341 B4R0.1 NCC(=O)O Amb33869972 [2,0,0,0,0,0|1,0,0]=3 2342 B4R0.1 NCC(=O)O Amb8516646 [2,0,0,0,0,0|1,0,0]=3 2343 B4R0.1 NCC(=O)S Amb17593043 [2,0,0,0,0,0|1,1,0]=4 2344 B4R0.1 NCC(=O)[O-] Amb21962917 [2,0,0,0,0,0|1,0,1]=4 2345 B4R0.1 NCC(=O)[O-] Amb22493796 [2,0,0,0,0,0|1,0,1]=4 2346 B4R0.1 NCC(=O)[O-] Amb440282 [2,0,0,0,0,0|1,0,1]=4 2347 B4R0.1 NCC(=O)[O-] Amb5722007 [2,0,0,0,0,0|1,0,1]=4 2348 B4R0.1 NCC(N)=O Amb10604177 [2,0,0,0,0,0|2,0,0]=4 2349 B4R0.1 NCC(N)=O Amb22234569 [2,0,0,0,0,0|2,0,0]=4 2350 B4R0.1 NCC(N)=O Amb6609053 [2,0,0,0,0,0|2,0,0]=4 2351 B4R0.1 NC[PH](=O)O Amb776032 [2,0,0,0,0,0|2,0,0]=4 2352 B4R0.1 NNC(=O)O Amb33512897 [2,0,0,0,0,0|2,0,0]=4 2353 B4R0.1 O=C(Br)CBr Amb2793022 [2,0,0,0,0,0|2,0,0]=4 2354 B4R0.1 O=C(Br)CCl Amb27168386 [2,0,0,0,0,0|2,0,0]=4 2355 B4R0.1 O=C(Cl)CBr Amb6608953 [2,0,0,0,0,0|2,0,0]=4 2356 B4R0.1 O=C(Cl)CCl Amb2793043 [2,0,0,0,0,0|2,0,0]=4 2357 B4R0.1 O=C(Cl)CF Amb16185604 [2,0,0,0,0,0|2,0,0]=4 2358 B4R0.1 O=C(Cl)CI Amb22045163 [2,0,0,0,0,0|2,0,0]=4 2359 B4R0.1 O=C(F)CCl Amb10839258 [2,0,0,0,0,0|2,0,0]=4 2360 B4R0.1 O=C(I)CCl Amb27639296 [2,0,0,0,0,0|2,0,0]=4 2361 B4R0.1 O=C(O)C=S Amb28042222 [2,0,0,0,0,0|0,1,0]=3 2362 B4R0.1 O=C(O)CBr Amb6608658 [2,0,0,0,0,0|1,0,0]=3 2363 B4R0.1 O=C(O)CCl Amb2792919 [2,0,0,0,0,0|1,0,0]=3 2364 B4R0.1 O=C(O)CF Amb6740304 [2,0,0,0,0,0|1,0,0]=3 2365 B4R0.1 O=C(O)CI Amb1916034 [2,0,0,0,0,0|1,0,0]=3 2366 B4R0.1 O=C(O)CO Amb2793019 [2,0,0,0,0,0|0,0,1]=3 2367 B4R0.1 O=C(O)CS Amb6608659 [2,0,0,0,0,0|0,1,0]=3 2368 B4R0.1 O=C(O)C[Na] Amb28255644 [2,0,0,0,0,0|1,0,0]=3 2369 B4R0.1 O=C(O)O[Na] Amb22411585 [2,0,0,0,0,0|2,0,0]=4 2370 B4R0.1 O=C([O-])CO Amb22730982 [2,0,0,0,0,0|0,0,2]=4 2371 B4R0.1 O=C([O-])CO Amb8516148 [2,0,0,0,0,0|0,0,2]=4 2372 B4R0.1 O=C([O-])CS Amb8395172 [2,0,0,0,0,0|0,1,1]=4 2373 B4R0.1 O=CC(=O)O Amb3940872 [2,0,0,0,0,0|0,0,0]=2 2374 B4R0.1 O=CC(=O)O Amb6609044 [2,0,0,0,0,0|0,0,0]=2 2375 B4R0.1 O=CC(O)O Amb26610012 [2,0,0,0,0,0|0,0,2]=4 2376 B4R0.1 O=S(O)CCl Amb27468736 [2,0,0,0,0,0|2,0,0]=4 2377 B4R0.1 O=S(O)CO Amb27621151 [2,0,0,0,0,0|1,0,1]=4 2378 B4R0.2 C#CCCO Amb2685716 [2,0,0,0,0,0|1,0,1]=4 2379 B4R0.2 C#CCCO Amb34916688 [2,0,0,0,0,0|1,0,1]=4 2380 B4R0.2 C=CCC=C Amb8513286 [2,0,0,0,0,0|1,0,1]=4 2381 B4R0.2 C=CCC=O Amb25058716 [2,0,0,0,0,0|0,0,1]=3 2382 B4R0.2 C=CCCBr Amb2684977 [2,0,0,0,0,0|2,0,0]=4 2383 B4R0.2 C=CCCC Amb8514606 [2,0,0,0,0,0|1,0,1]=4 2384 B4R0.2 C=CCCCl Amb22229725 [2,0,0,0,0,0|2,0,0]=4 2385 B4R0.2 C=CCCF Amb27869562 [2,0,0,0,0,0|2,0,0]=4 2386 B4R0.2 C=CCCI Amb33546459 [2,0,0,0,0,0|2,0,0]=4 2387 B4R0.2 C=CCCN Amb10601640 [2,0,0,0,0,0|2,0,0]=4 2388 B4R0.2 C=CCCN Amb33484127 [2,0,0,0,0,0|2,0,0]=4 2389 B4R0.2 C=CCCN Amb5717434 [2,0,0,0,0,0|2,0,0]=4 2390 B4R0.2 C=CCCO Amb6609024 [2,0,0,0,0,0|1,0,0]=3 2391 B4R0.2 C=CCC[NH3+] Amb5718705 [2,0,0,0,0,0|2,0,0]=4 2392 B4R0.2 C=CNC=O Amb10844823 [2,0,0,0,0,0|1,0,1]=4 2393 B4R0.2 C=COC=O Amb22734253 [2,0,0,0,0,0|1,0,1]=4 2394 B4R0.2 C=NCCO Amb27827243 [2,0,0,0,0,0|1,0,1]=4 2395 B4R0.2 CCCC=O Amb3940026 [2,0,0,0,0,0|0,0,1]=3 2396 B4R0.2 CCCCO Amb2793053 [2,0,0,0,0,0|0,0,2]=4 2397 B4R0.2 CCNC=O Amb22229692 [2,0,0,0,0,0|1,0,1]=4 2398 B4R0.2 CCOC=O Amb3429671 [2,0,0,0,0,0|1,0,1]=4 2399 B4R0.2 CNCC=O Amb28133605 [2,0,0,0,0,0|1,0,1]=4 2400 B4R0.2 CNCCO Amb2793086 [2,0,0,0,0,0|2,0,0]=4 2401 B4R0.2 COCC=O Amb3941034 [2,0,0,0,0,0|1,0,1]=4 2402 B4R0.2 COCCO Amb4605828 [2,0,0,0,0,0|2,0,0]=4 2403 B4R0.2 CPCCO Amb27594723 [2,0,0,0,0,0|2,0,0]=4 2404 B4R0.2 CSCC=O Amb27250514 [2,0,0,0,0,0|1,0,1]=4 2405 B4R0.2 CSCCO Amb3568993 [2,0,0,0,0,0|2,0,0]=4 2406 B4R0.2 C\C=C\C=O Amb6891937 [2,0,0,0,0,0|1,0,1]=4 2407 B4R0.2 C\C=C\CO Amb9277796 [2,0,0,0,0,0|1,0,1]=4 2408 B4R0.2 N#CCC=O Amb9669129 [2,0,0,0,0,0|1,0,1]=4 2409 B4R0.2 N#CCCO Amb534940 [2,0,0,0,0,0|1,0,1]=4 2410 B4R0.2 NCCC=S Amb28366830 [2,0,0,0,0,0|1,1,0]=4 2411 B4R0.2 NCCCO Amb22229163 [2,0,0,0,0,0|1,0,1]=4 2412 B4R0.2 NCCCO Amb2793042 [2,0,0,0,0,0|1,0,1]=4 2413 B4R0.2 NCCNO Amb24476856 [2,0,0,0,0,0|2,0,0]=4 2414 B4R0.2 NNCCO Amb2695098 [2,0,0,0,0,0|2,0,0]=4 2415 B4R0.2 NOCCO Amb17190317 [2,0,0,0,0,0|2,0,0]=4 2416 B4R0.2 N[NH2+]CCO Amb27867172 [2,0,0,0,0,0|2,0,0]=4 2417 B4R0.2 N\C=C/C=O Amb25246630 [2,0,0,0,0,0|1,0,1]=4 2418 B4R0.2 N\C=C\C=O Amb33946746 [2,0,0,0,0,0|1,0,1]=4 2419 B4R0.2 O=C=C=CO Amb28127804 [2,0,0,0,0,0|0,0,2]=4 2420 B4R0.2 O=CC=S=O Amb27436150 [2,0,0,0,0,0|1,0,1]=4 2421 B4R0.2 O=CCC=O Amb33512721 [2,0,0,0,0,0|0,0,0]=2 2422 B4R0.2 O=CCCCl Amb16233605 [2,0,0,0,0,0|1,0,0]=3 2423 B4R0.2 O=CCCF Amb21858609 [2,0,0,0,0,0|1,0,0]=3 2424 B4R0.2 O=CCCI Amb26847605 [2,0,0,0,0,0|1,0,0]=3 2425 B4R0.2 O=CCCO Amb24412391 [2,0,0,0,0,0|0,0,0]=2 2426 B4R0.2 O=CCCS Amb27755008 [2,0,0,0,0,0|0,1,0]=3 2427 B4R0.2 O=CNC=O Amb25721263 [2,0,0,0,0,0|1,0,0]=3 2428 B4R0.2 O=CNC=O Amb33982955 [2,0,0,0,0,0|1,0,0]=3 2429 B4R0.2 O=CNCO Amb27754843 [2,0,0,0,0,0|1,0,0]=3 2430 B4R0.2 O=CNCS Amb27846487 [2,0,0,0,0,0|1,1,0]=4 2431 B4R0.2 O=C\C=C/Br Amb27876427 [2,0,0,0,0,0|1,0,1]=4 2432 B4R0.2 O=C\C=C/I Amb27863578 [2,0,0,0,0,0|1,0,1]=4 2433 B4R0.2 O=C\C=C\Cl Amb17593041 [2,0,0,0,0,0|1,0,1]=4 2434 B4R0.2 O=C\C=N\O Amb25746308 [2,0,0,0,0,0|1,0,1]=4 2435 B4R0.2 OCCCBr Amb932815 [2,0,0,0,0,0|1,0,1]=4 2436 B4R0.2 OCCCCl Amb6608905 [2,0,0,0,0,0|1,0,1]=4 2437 B4R0.2 OCCCF Amb2688406 [2,0,0,0,0,0|1,0,1]=4 2438 B4R0.2 OCCCI Amb2688881 [2,0,0,0,0,0|1,0,1]=4 2439 B4R0.2 OCCCO Amb2793089 [2,0,0,0,0,0|0,0,2]=4 2440 B4R0.2 OCCCS Amb8517566 [2,0,0,0,0,0|0,1,1]=4 2441 B4R0.2 OCCNBr Amb27265947 [2,0,0,0,0,0|2,0,0]=4 2442 B4R0.2 OCCNCl Amb27206146 [2,0,0,0,0,0|2,0,0]=4 2443 B4R0.2 OCCNF Amb27775764 [2,0,0,0,0,0|2,0,0]=4 2444 B4R0.2 OC\C=C/I Amb23539305 [2,0,0,0,0,0|1,0,1]=4 2445 B4R0.2 OC\C=C\Br Amb32653556 [2,0,0,0,0,0|1,0,1]=4 2446 B4R0.2 OC\C=C\Cl Amb33531874 [2,0,0,0,0,0|1,0,1]=4 2447 B4R0.2 OC\C=C\I Amb24642752 [2,0,0,0,0,0|1,0,1]=4 2448 B4R0.2 ONCCF Amb25931834 [2,0,0,0,0,0|2,0,0]=4 2449 B4R0.2 O\C=C\CCl Amb27449221 [2,0,0,0,0,0|1,0,1]=4 2450 B6R0.1 C#CC(=O)CC=C Amb27163449 [1,1,0,0,0,0|1,0,1]=4 2451 B6R0.1 C#CC(=O)CCC Amb25696103 [1,1,0,0,0,0|1,0,1]=4 2452 B6R0.1 C#CCC(=O)OC Amb5722531 [1,1,0,0,0,0|0,0,2]=4 2453 B6R0.1 C=C(C=O)CCF Amb28253937 [1,1,0,0,0,0|2,0,0]=4 2454 B6R0.1 C=C(CCC)OC Amb27433625 [1,1,0,0,0,0|1,0,1]=4 2455 B6R0.1 C=C(CO)CCN Amb24426567 [1,1,0,0,0,0|2,0,0]=4 2456 B6R0.1 C=C(CO)CCO Amb25825219 [1,1,0,0,0,0|1,0,1]=4 2457 B6R0.1 C=C=CC(=O)OC Amb24478408 [1,1,0,0,0,0|0,0,2]=4 2458 B6R0.1 C=CC(=O)CCC Amb8630773 [1,1,0,0,0,0|1,0,1]=4 2459 B6R0.1 C=CC(=O)CCCl Amb24446646 [1,1,0,0,0,0|2,0,0]=4 2460 B6R0.1 C=CC(=O)CCF Amb33480698 [1,1,0,0,0,0|2,0,0]=4 2461 B6R0.1 C=CC(O)CC=O Amb27401128 [1,1,0,0,0,0|1,0,1]=4 2462 B6R0.1 C=CCC(=C)C=O Amb18120415 [1,1,0,0,0,0|1,0,1]=4 2463 B6R0.1 C=CCC(=O)C=C Amb27164626 [1,1,0,0,0,0|1,0,1]=4 2464 B6R0.1 C=CCC(=O)CC Amb27173052 [1,1,0,0,0,0|1,0,1]=4 2465 B6R0.1 C=CCC(=O)CN Amb32410102 [1,1,0,0,0,0|1,0,1]=4 2466 B6R0.1 C=CCC(=O)NC Amb24479782 [1,1,0,0,0,0|1,0,1]=4 2467 B6R0.1 C=CC\C(N)=N\O Amb2695179 [1,1,0,0,0,0|1,0,1]=4 2468 B6R0.1 C=CNC(=O)OC Amb24479688 [1,1,0,0,0,0|1,0,1]=4 2469 B6R0.1 CCC(=O)CCBr Amb27401869 [1,1,0,0,0,0|2,0,0]=4 2470 B6R0.1 CCC(=O)CCI Amb27232362 [1,1,0,0,0,0|2,0,0]=4 2471 B6R0.1 CCC(=O)CCN Amb18202790 [1,1,0,0,0,0|2,0,0]=4 2472 B6R0.1 CCC(=O)CCO Amb26872941 [1,1,0,0,0,0|1,0,1]=4 2473 B6R0.1 CCC(=O)CCS Amb24733984 [1,1,0,0,0,0|1,1,0]=4 2474 B6R0.1 CCC(O)CC=O Amb27268436 [1,1,0,0,0,0|1,0,1]=4 2475 B6R0.1 CCCC(=O)CBr Amb24433274 [1,1,0,0,0,0|1,0,1]=4 2476 B6R0.1 CCCC(=O)CC Amb8513390 [1,1,0,0,0,0|1,0,1]=4 2477 B6R0.1 CCCC(=O)CCl Amb19372924 [1,1,0,0,0,0|1,0,1]=4 2478 B6R0.1 CCCC(=O)CI Amb27876205 [1,1,0,0,0,0|1,0,1]=4 2479 B6R0.1 CCCC(=O)CN Amb17593086 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.1 CCCC(=O)CN Amb28827644 [1,1,0,0,0,0|1,0,1]=4 2481 B6R0.1 CCCC(=O)CO Amb25125092 [1,1,0,0,0,0|0,0,1]=3 2482 B6R0.1 CCCC(=O)NC Amb3886531 [1,1,0,0,0,0|1,0,1]=4 2483 B6R0.1 CCCC(=O)NN Amb6366352 [1,1,0,0,0,0|1,0,1]=4 2484 B6R0.1 CCCC(=O)NO Amb6260495 [1,1,0,0,0,0|0,0,1]=3 2485 B6R0.1 CCCC(=O)OC Amb8516697 [1,1,0,0,0,0|0,0,1]=3 2486 B6R0.1 CCCC(=O)SC Amb8393184 [1,1,0,0,0,0|0,1,1]=4 2487 B6R0.1 CCCC(=S)OC Amb22043317 [1,1,0,0,0,0|0,1,1]=4 2488 B6R0.1 CCC\C(C)=N\O Amb24693854 [1,1,0,0,0,0|1,0,1]=4 2489 B6R0.1 CCC\C(Cl)=N\O Amb27829565 [1,1,0,0,0,0|1,0,1]=4 2490 B6R0.1 CCC\C(N)=N\O Amb19890174 [1,1,0,0,0,0|1,0,1]=4 2491 B6R0.1 CCC\C(N)=N\O Amb2724965 [1,1,0,0,0,0|1,0,1]=4 2492 B6R0.1 CCNC(=O)CO Amb9421415 [1,1,0,0,0,0|1,0,1]=4 2493 B6R0.1 CCNC(=O)NO Amb28345704 [1,1,0,0,0,0|1,0,1]=4 2494 B6R0.1 CCNC(=O)OC Amb22734099 [1,1,0,0,0,0|1,0,1]=4 2495 B6R0.1 CCOC(=O)CO Amb3939196 [1,1,0,0,0,0|1,0,1]=4 2496 B6R0.1 CCOC(=O)NO Amb8384324 [1,1,0,0,0,0|1,0,1]=4 2497 B6R0.1 CCOC(=O)OC Amb22732530 [1,1,0,0,0,0|1,0,1]=4 2498 B6R0.1 CC[C@@H](O)CC=O Amb28287324 [1,1,0,0,0,0|1,0,1]=4 2499 B6R0.1 CC\C=C(/O)C=O Amb27849683 [1,1,0,0,0,0|0,0,2]=4 2500 B6R0.1 CC\C=C(\O)C=O Amb27195226 [1,1,0,0,0,0|0,0,2]=4 2501 B6R0.1 CN(CC=O)N=O Amb27830130 [1,1,0,0,0,0|2,0,0]=4 2502 B6R0.1 CNC(=O)CCBr Amb17332890 [1,1,0,0,0,0|2,0,0]=4 2503 B6R0.1 CNC(=O)CCCl Amb1130566 [1,1,0,0,0,0|2,0,0]=4 2504 B6R0.1 CNC(=O)CCN Amb1139824 [1,1,0,0,0,0|2,0,0]=4 2505 B6R0.1 CNC(=O)CCN Amb6893005 [1,1,0,0,0,0|2,0,0]=4 2506 B6R0.1 CNC(=O)CCO Amb10608414 [1,1,0,0,0,0|1,0,1]=4 2507 B6R0.1 CNC(=O)CCS Amb25727705 [1,1,0,0,0,0|1,1,0]=4 2508 B6R0.1 CNCC(=O)OC Amb1153975 [1,1,0,0,0,0|1,0,1]=4 2509 B6R0.1 CNCC(=O)OC Amb2371116 [1,1,0,0,0,0|1,0,1]=4 2510 B6R0.1 COC(=N)CCBr Amb27478260 [1,1,0,0,0,0|2,0,0]=4 2511 B6R0.1 COC(=N)CCCl Amb19958799 [1,1,0,0,0,0|2,0,0]=4 2512 B6R0.1 COC(=N)CCCl Amb22234673 [1,1,0,0,0,0|2,0,0]=4 2513 B6R0.1 COC(=N)CCO Amb17593095 [1,1,0,0,0,0|1,0,1]=4 2514 B6R0.1 COC(=O)CC#N Amb3940296 [1,1,0,0,0,0|1,0,1]=4 2515 B6R0.1 COC(=O)CC=O Amb18199826 [1,1,0,0,0,0|0,0,0]=2 2516 B6R0.1 COC(=O)CCBr Amb3940216 [1,1,0,0,0,0|1,0,0]=3 2517 B6R0.1 COC(=O)CCCl Amb8387395 [1,1,0,0,0,0|1,0,0]=3 2518 B6R0.1 COC(=O)CCI Amb24442243 [1,1,0,0,0,0|1,0,0]=3 2519 B6R0.1 COC(=O)CCN Amb1105940 [1,1,0,0,0,0|1,0,0]=3 2520 B6R0.1 COC(=O)CCN Amb2605985 [1,1,0,0,0,0|1,0,0]=3 2521 B6R0.1 COC(=O)CCO Amb8855137 [1,1,0,0,0,0|0,0,1]=3 2522 B6R0.1 COC(=O)CCS Amb2725528 [1,1,0,0,0,0|0,1,0]=3 2523 B6R0.1 COC(=O)CON Amb18640433 [1,1,0,0,0,0|2,0,0]=4 2524 B6R0.1 COC(=O)CON Amb29848090 [1,1,0,0,0,0|2,0,0]=4 2525 B6R0.1 COC(=O)CSC Amb2689527 [1,1,0,0,0,0|1,0,1]=4 2526 B6R0.1 COC(=O)N=C=O Amb16233562 [1,1,0,0,0,0|1,0,1]=4 2527 B6R0.1 COC(=O)OCCl Amb20623618 [1,1,0,0,0,0|2,0,0]=4 2528 B6R0.1 COC(=O)OCI Amb35753057 [1,1,0,0,0,0|2,0,0]=4 2529 B6R0.1 COC(=O)\C=C/Br Amb10067501 [1,1,0,0,0,0|1,0,1]=4 2530 B6R0.1 COC(=O)\C=C/Cl Amb27878734 [1,1,0,0,0,0|1,0,1]=4 2531 B6R0.1 COC(=O)\C=C/I Amb2455616 [1,1,0,0,0,0|1,0,1]=4 2532 B6R0.1 COC(=O)\C=C\Br Amb33986032 [1,1,0,0,0,0|1,0,1]=4 2533 B6R0.1 COC(=O)\C=C\I Amb33986599 [1,1,0,0,0,0|1,0,1]=4 2534 B6R0.1 COC(=O)\C=C\N Amb8386481 [1,1,0,0,0,0|1,0,1]=4 2535 B6R0.1 COC(=O)\C=C\[O-] Amb32729428 [1,1,0,0,0,0|0,0,2]=4 2536 B6R0.1 COC(C)CC=O Amb17593089 [1,1,0,0,0,0|1,0,1]=4 2537 B6R0.1 COCC(=O)OC Amb8513624 [1,1,0,0,0,0|1,0,1]=4 2538 B6R0.1 COS(=O)CCBr Amb27403603 [1,1,0,0,0,0|2,0,0]=4 2539 B6R0.1 CO[PH](=O)CCBr Amb27657609 [1,1,0,0,0,0|2,0,0]=4 2540 B6R0.1 CSC(=O)CCO Amb27662309 [1,1,0,0,0,0|0,1,1]=4 2541 B6R0.1 CSCC(=O)NO Amb28057751 [1,1,0,0,0,0|1,0,1]=4 2542 B6R0.1 C[C@@H](CO)CC=O Amb27227155 [1,1,0,0,0,0|1,0,1]=4 2543 B6R0.1 C[NH2+]CC(=O)OC Amb22045201 [1,1,0,0,0,0|1,0,1]=4 2544 B6R0.1 C[NH2+]CC(=O)OC Amb24113851 [1,1,0,0,0,0|1,0,1]=4 2545 B6R0.1 C\C(C=O)=C/C=O Amb27597073 [1,1,0,0,0,0|1,0,1]=4 2546 B6R0.1 C\C(CCCl)=N/O Amb27832450 [1,1,0,0,0,0|2,0,0]=4 2547 B6R0.1 C\C=C(/C)CC=O Amb18120886 [1,1,0,0,0,0|2,0,0]=4 2548 B6R0.1 C\C=C\C(=O)OC Amb8513568 [1,1,0,0,0,0|1,0,1]=4 2549 B6R0.1 N=C(CCO)NO Amb22491265 [1,1,0,0,0,0|1,0,1]=4 2550 B6R0.1 NC(C=O)CC=O Amb27872844 [1,1,0,0,0,0|1,0,1]=4 2551 B6R0.1 NCC(=O)CCF Amb26604148 [1,1,0,0,0,0|2,0,0]=4 2552 B6R0.1 NCCC(=O)CF Amb33377162 [1,1,0,0,0,0|2,0,0]=4 2553 B6R0.1 NCCC(=O)CN Amb18121893 [1,1,0,0,0,0|2,0,0]=4 2554 B6R0.1 NCCC(=O)NN Amb18559344 [1,1,0,0,0,0|2,0,0]=4 2555 B6R0.1 NCCC(=O)NO Amb33543073 [1,1,0,0,0,0|1,0,0]=3 2556 B6R0.1 NCCC(O)C=O Amb25682881 [1,1,0,0,0,0|1,0,1]=4 2557 B6R0.1 NCC\C(N)=N\O Amb24761482 [1,1,0,0,0,0|2,0,0]=4 2558 B6R0.1 NNC(=O)CCO Amb20622339 [1,1,0,0,0,0|1,0,1]=4 2559 B6R0.1 NNC(=O)CCS Amb20622690 [1,1,0,0,0,0|1,1,0]=4 2560 B6R0.1 N\C(CCCl)=N/O Amb2695182 [1,1,0,0,0,0|2,0,0]=4 2561 B6R0.1 N\C(CCO)=N/O Amb1113605 [1,1,0,0,0,0|1,0,1]=4 2562 B6R0.1 O=C(CBr)CCBr Amb26567374 [1,1,0,0,0,0|2,0,0]=4 2563 B6R0.1 O=C(CBr)CCCl Amb27984732 [1,1,0,0,0,0|2,0,0]=4 2564 B6R0.1 O=C(CCBr)NO Amb28195718 [1,1,0,0,0,0|1,0,0]=3 2565 B6R0.1 O=C(CCCl)NO Amb25865278 [1,1,0,0,0,0|1,0,0]=3 2566 B6R0.1 O=C(CCl)CCCl Amb22395038 [1,1,0,0,0,0|2,0,0]=4 2567 B6R0.1 O=C(CCl)CCF Amb33413998 [1,1,0,0,0,0|2,0,0]=4 2568 B6R0.1 O=C(CF)CCF Amb28424077 [1,1,0,0,0,0|2,0,0]=4 2569 B6R0.1 O=C(CO)CCO Amb10603377 [1,1,0,0,0,0|0,0,1]=3 2570 B6R0.1 O=C(CO)NCO Amb27593459 [1,1,0,0,0,0|1,0,1]=4 2571 B6R0.1 O=C(NO)OCCl Amb29886186 [1,1,0,0,0,0|2,0,0]=4 2572 B6R0.1 O=CC(=O)CCO Amb28050238 [1,1,0,0,0,0|0,0,2]=4 2573 B6R0.1 O=CC(O)CCBr Amb27838276 [1,1,0,0,0,0|1,0,1]=4 2574 B6R0.1 O=CC(O)CCO Amb27955546 [1,1,0,0,0,0|0,0,2]=4 2575 B6R0.1 O=CCC(O)C=O Amb28071061 [1,1,0,0,0,0|0,0,1]=3 2576 B6R0.1 O=COC(=O)CO Amb27457699 [1,1,0,0,0,0|1,0,0]=3 2577 B6R0.1 O=C[C@H](O)CCBr Amb28399793 [1,1,0,0,0,0|1,0,1]=4 2578 B6R0.1 O=C\C=C(/Br)C=O Amb27169466 [1,1,0,0,0,0|1,0,1]=4 2579 B6R0.1 [C-]#[N+]CC(=O)OC Amb2697203 [1,1,0,0,0,0|1,0,1]=4 2580 B6R0.2 C=C(C)CC(=O)O Amb6278832 [1,1,0,0,0,0|0,0,1]=3 2581 B6R0.2 C=C(C)CC(C)=O Amb17593075 [1,1,0,0,0,0|1,0,1]=4 2582 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [1,1,0,0,0,0|0,0,1]=3 2583 B6R0.2 C=C(I)CC(=O)O Amb27598435 [1,1,0,0,0,0|0,0,1]=3 2584 B6R0.2 CC(=O)CC(=O)F Amb28122452 [1,1,0,0,0,0|1,0,0]=3 2585 B6R0.2 CC(=O)CC(=O)O Amb377432 [1,1,0,0,0,0|0,0,0]=2 2586 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [1,1,0,0,0,0|0,0,1]=3 2587 B6R0.2 CC(=O)CC(C)=O Amb2716228 [1,1,0,0,0,0|1,0,0]=3 2588 B6R0.2 CC(=O)CC(C)=S Amb28381251 [1,1,0,0,0,0|1,1,0]=4 2589 B6R0.2 CC(=O)CC(C)C Amb4605990 [1,1,0,0,0,0|1,0,1]=4 2590 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [1,1,0,0,0,0|1,0,1]=4 2591 B6R0.2 CC(=O)CC(C)N Amb22587050 [1,1,0,0,0,0|1,0,1]=4 2592 B6R0.2 CC(=O)CC(C)N Amb2583230 [1,1,0,0,0,0|1,0,1]=4 2593 B6R0.2 CC(=O)CC(C)O Amb17593091 [1,1,0,0,0,0|1,0,1]=4 2594 B6R0.2 CC(=O)CC(C)S Amb24600676 [1,1,0,0,0,0|1,0,1]=4 2595 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [1,1,0,0,0,0|1,0,1]=4 2596 B6R0.2 CC(=O)CC(F)F Amb24669174 [1,1,0,0,0,0|2,0,0]=4 2597 B6R0.2 CC(=O)CC(N)=O Amb6608777 [1,1,0,0,0,0|1,0,0]=3 2598 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [1,1,0,0,0,0|1,0,1]=4 2599 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [1,1,0,0,0,0|1,0,1]=4 2600 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [1,1,0,0,0,0|1,0,1]=4 2601 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [1,1,0,0,0,0|1,0,0]=3 2602 B6R0.2 CC(=O)NC(C)=O Amb4066511 [1,1,0,0,0,0|2,0,0]=4 2603 B6R0.2 CC(=O)NC(N)=O Amb6891959 [1,1,0,0,0,0|2,0,0]=4 2604 B6R0.2 CC(=O)OC(C)=O Amb2793035 [1,1,0,0,0,0|2,0,0]=4 2605 B6R0.2 CC(=O)OC(N)=O Amb28283882 [1,1,0,0,0,0|2,0,0]=4 2606 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [1,1,0,0,0,0|2,0,0]=4 2607 B6R0.2 CC(=O)SC(C)=O Amb4025813 [1,1,0,0,0,0|2,0,0]=4 2608 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [1,1,0,0,0,0|1,0,1]=4 2609 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [1,1,0,0,0,0|1,0,1]=4 2610 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [1,1,0,0,0,0|1,0,1]=4 2611 B6R0.2 CC(=S)CC(=O)O Amb28067768 [1,1,0,0,0,0|0,1,0]=3 2612 B6R0.2 CC(Br)CC(=O)O Amb8517108 [1,1,0,0,0,0|0,0,1]=3 2613 B6R0.2 CC(C)=CC(=O)O Amb1485519 [1,1,0,0,0,0|1,0,1]=4 2614 B6R0.2 CC(C)CC(=O)Br Amb26486664 [1,1,0,0,0,0|1,0,1]=4 2615 B6R0.2 CC(C)CC(=O)Cl Amb2792902 [1,1,0,0,0,0|1,0,1]=4 2616 B6R0.2 CC(C)CC(=O)F Amb32667643 [1,1,0,0,0,0|1,0,1]=4 2617 B6R0.2 CC(C)CC(=O)O Amb3939848 [1,1,0,0,0,0|0,0,1]=3 2618 B6R0.2 CC(C)CC(N)=O Amb2722931 [1,1,0,0,0,0|1,0,1]=4 2619 B6R0.2 CC(Cl)CC(=O)Cl Amb28343061 [1,1,0,0,0,0|1,0,1]=4 2620 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [1,1,0,0,0,0|0,0,1]=3 2621 B6R0.2 CC(I)CC(=O)O Amb28398380 [1,1,0,0,0,0|0,0,1]=3 2622 B6R0.2 CC(N)CC(=O)O Amb8379759 [1,1,0,0,0,0|0,0,1]=3 2623 B6R0.2 CC(N)CC(=O)S Amb27413857 [1,1,0,0,0,0|0,1,1]=4 2624 B6R0.2 CC(N)CC(N)=O Amb18281237 [1,1,0,0,0,0|1,0,1]=4 2625 B6R0.2 CC(N)CC(N)=O Amb33532770 [1,1,0,0,0,0|1,0,1]=4 2626 B6R0.2 CC(O)CC(=O)O Amb8513187 [1,1,0,0,0,0|0,0,1]=3 2627 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [1,1,0,0,0,0|0,0,2]=4 2628 B6R0.2 CC(O)CC(N)=O Amb26394320 [1,1,0,0,0,0|1,0,1]=4 2629 B6R0.2 CC(S)CC(=O)O Amb33538201 [1,1,0,0,0,0|0,0,1]=3 2630 B6R0.2 CN(C)CC(=O)O Amb3319051 [1,1,0,0,0,0|1,0,1]=4 2631 B6R0.2 CN(C)CC(=O)O Amb3940366 [1,1,0,0,0,0|1,0,1]=4 2632 B6R0.2 CN(N)CC(=O)O Amb23592296 [1,1,0,0,0,0|1,0,1]=4 2633 B6R0.2 CN(O)CC(=O)O Amb29838290 [1,1,0,0,0,0|1,0,1]=4 2634 B6R0.2 CS(=O)CC(N)=O Amb24394100 [1,1,0,0,0,0|2,0,0]=4 2635 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [1,1,0,0,0,0|0,0,1]=3 2636 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [1,1,0,0,0,0|0,0,1]=3 2637 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [1,1,0,0,0,0|0,0,1]=3 2638 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [1,1,0,0,0,0|0,0,1]=3 2639 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [1,1,0,0,0,0|0,0,1]=3 2640 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [1,1,0,0,0,0|0,0,2]=4 2641 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [1,1,0,0,0,0|0,0,1]=3 2642 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [1,1,0,0,0,0|0,0,1]=3 2643 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [1,1,0,0,0,0|0,0,1]=3 2644 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [1,1,0,0,0,0|1,0,1]=4 2645 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [1,1,0,0,0,0|0,0,1]=3 2646 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [1,1,0,0,0,0|1,0,1]=4 2647 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [1,1,0,0,0,0|1,0,1]=4 2648 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [1,1,0,0,0,0|1,0,1]=4 2649 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [1,1,0,0,0,0|1,0,1]=4 2650 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [1,1,0,0,0,0|1,0,1]=4 2651 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [1,1,0,0,0,0|1,0,1]=4 2652 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [1,1,0,0,0,0|1,0,1]=4 2653 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [1,1,0,0,0,0|1,0,1]=4 2654 B6R0.2 N=C(N)CC(N)=O Amb1981332 [1,1,0,0,0,0|2,0,0]=4 2655 B6R0.2 N=C(N)CC(N)=O Amb5719691 [1,1,0,0,0,0|2,0,0]=4 2656 B6R0.2 N=C([NH3+])CC(N)=O Amb2439350 [1,1,0,0,0,0|2,0,0]=4 2657 B6R0.2 NC(=O)CC(=O)O Amb4034884 [1,1,0,0,0,0|0,0,0]=2 2658 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [1,1,0,0,0,0|0,0,1]=3 2659 B6R0.2 NC(=O)CC(F)F Amb28401488 [1,1,0,0,0,0|2,0,0]=4 2660 B6R0.2 NC(=O)CC(N)=O Amb1971463 [1,1,0,0,0,0|1,0,0]=3 2661 B6R0.2 NC(=O)CC(N)=S Amb1155422 [1,1,0,0,0,0|1,1,0]=4 2662 B6R0.2 NC(=O)C[N+](=O)[O-] Amb1101925 [1,1,0,0,0,0|1,0,1]=4 2663 B6R0.2 NC(=O)NC(N)=O Amb6346179 [1,1,0,0,0,0|2,0,0]=4 2664 B6R0.2 NC(=S)CC(=O)O Amb17465742 [1,1,0,0,0,0|0,1,0]=3 2665 B6R0.2 NC(N)=CC(=O)O Amb27618962 [1,1,0,0,0,0|1,0,1]=4 2666 B6R0.2 NC(S)CC(=O)O Amb27391244 [1,1,0,0,0,0|0,1,0]=3 2667 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [1,1,0,0,0,0|1,0,0]=3 2668 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [1,1,0,0,0,0|1,0,1]=4 2669 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [1,1,0,0,0,0|1,0,1]=4 2670 B6R0.2 O=C(O)C=C(F)F Amb24116995 [1,1,0,0,0,0|1,0,1]=4 2671 B6R0.2 O=C(O)CB(O)O Amb24053058 [1,1,0,0,0,0|1,0,1]=4 2672 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [1,1,0,0,0,0|0,0,0]=2 2673 B6R0.2 O=C(O)CC(=O)O Amb2689065 [1,1,0,0,0,0|0,0,0]=2 2674 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [1,1,0,0,0,0|1,0,0]=3 2675 B6R0.2 O=C(O)CC(F)F Amb22001551 [1,1,0,0,0,0|1,0,0]=3 2676 B6R0.2 O=C(O)CS(=O)O Amb27788997 [1,1,0,0,0,0|1,0,0]=3 2677 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [1,1,0,0,0,0|1,0,1]=4 2678 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [1,1,0,0,0,0|0,0,1]=3 2679 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [1,1,0,0,0,0|0,0,1]=3 2680 B6R0.2 O=C([O-])CC(F)F Amb24117960 [1,1,0,0,0,0|1,0,1]=4 2681 B6R0.2 O=C([O-])C[N+](=O)[O-] Amb28990930 [1,1,0,0,0,0|1,0,1]=4 2682 B6R0.2 O=S(O)CC(F)F Amb30035176 [1,1,0,0,0,0|2,0,0]=4 2683 B6R0.2 OC(=S)CC(F)F Amb34179023 [1,1,0,0,0,0|1,1,0]=4 2684 B6R0.3 C#CC(N)C(=O)O Amb28282694 [1,1,0,0,0,0|0,0,2]=4 2685 B6R0.3 C#CC(O)C(=O)O Amb22731622 [1,1,0,0,0,0|0,0,2]=4 2686 B6R0.3 C=C(C)C(C)C=O Amb18639176 [1,1,0,0,0,0|2,0,0]=4 2687 B6R0.3 C=C(C)[C@@H](C)C=O Amb27838285 [1,1,0,0,0,0|2,0,0]=4 2688 B6R0.3 C=C(CBr)C(=O)O Amb6296612 [1,1,0,0,0,0|1,0,1]=4 2689 B6R0.3 C=C(CC)C(=O)O Amb18639591 [1,1,0,0,0,0|0,0,2]=4 2690 B6R0.3 C=C(CCl)C(=O)O Amb27851591 [1,1,0,0,0,0|1,0,1]=4 2691 B6R0.3 C=C(CO)C(=O)O Amb18121817 [1,1,0,0,0,0|0,0,2]=4 2692 B6R0.3 C=C(CS)C(=O)O Amb27263242 [1,1,0,0,0,0|0,1,1]=4 2693 B6R0.3 C=C=C(C)C(=O)O Amb17593066 [1,1,0,0,0,0|0,0,2]=4 2694 B6R0.3 C=CC(=C)C(=O)O Amb24394371 [1,1,0,0,0,0|0,0,2]=4 2695 B6R0.3 C=CC(C)C(=O)O Amb21618706 [1,1,0,0,0,0|0,0,1]=3 2696 B6R0.3 C=CC(C)C(N)=O Amb27167730 [1,1,0,0,0,0|1,0,1]=4 2697 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [1,1,0,0,0,0|0,0,1]=3 2698 B6R0.3 C=CC(N)C(=O)O Amb20240543 [1,1,0,0,0,0|0,0,1]=3 2699 B6R0.3 C=CC(O)C(=O)O Amb24061247 [1,1,0,0,0,0|0,0,1]=3 2700 B6R0.3 C=CC(O)C(C)=O Amb27838239 [1,1,0,0,0,0|1,0,1]=4 2701 B6R0.3 C=CC(O)C(N)=O Amb27391902 [1,1,0,0,0,0|1,0,1]=4 2702 B6R0.3 C=CC(S)C(=O)O Amb28069741 [1,1,0,0,0,0|0,0,1]=3 2703 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [1,1,0,0,0,0|0,0,1]=3 2704 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [1,1,0,0,0,0|0,0,1]=3 2705 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [1,1,0,0,0,0|0,0,1]=3 2706 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [1,1,0,0,0,0|0,0,1]=3 2707 B6R0.3 C=C[C@H](O)C(N)=O Amb28282656 [1,1,0,0,0,0|1,0,1]=4 2708 B6R0.3 CC(=O)C(Br)C=O Amb17232509 [1,1,0,0,0,0|1,0,0]=3 2709 B6R0.3 CC(=O)C(Br)CBr Amb27597612 [1,1,0,0,0,0|2,0,0]=4 2710 B6R0.3 CC(=O)C(C)C=N Amb28199842 [1,1,0,0,0,0|2,0,0]=4 2711 B6R0.3 CC(=O)C(C)C=O Amb18639572 [1,1,0,0,0,0|1,0,0]=3 2712 B6R0.3 CC(=O)C(C)CCl Amb26477594 [1,1,0,0,0,0|2,0,0]=4 2713 B6R0.3 CC(=O)C(C)CO Amb10844844 [1,1,0,0,0,0|1,0,1]=4 2714 B6R0.3 CC(=O)C(Cl)C=O Amb28137911 [1,1,0,0,0,0|1,0,0]=3 2715 B6R0.3 CC(=O)C(Cl)CCl Amb27257955 [1,1,0,0,0,0|2,0,0]=4 2716 B6R0.3 CC(=O)C(O)CO Amb26463044 [1,1,0,0,0,0|1,0,1]=4 2717 B6R0.3 CC(=O)C([Na])CN Amb28423432 [1,1,0,0,0,0|2,0,0]=4 2718 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [1,1,0,0,0,0|1,0,1]=4 2719 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [1,1,0,0,0,0|1,0,1]=4 2720 B6R0.3 CC(C#N)C(=O)O Amb17210512 [1,1,0,0,0,0|1,0,1]=4 2721 B6R0.3 CC(C=O)C(=O)O Amb27784775 [1,1,0,0,0,0|0,0,0]=2 2722 B6R0.3 CC(C=O)C(=O)[Na] Amb27439065 [1,1,0,0,0,0|1,0,0]=3 2723 B6R0.3 CC(C=O)S(C)=O Amb29849577 [1,1,0,0,0,0|2,0,0]=4 2724 B6R0.3 CC(CBr)C(=O)O Amb22002601 [1,1,0,0,0,0|1,0,0]=3 2725 B6R0.3 CC(CCl)C(=O)O Amb18522181 [1,1,0,0,0,0|1,0,0]=3 2726 B6R0.3 CC(CF)C(=O)O Amb24432331 [1,1,0,0,0,0|1,0,0]=3 2727 B6R0.3 CC(CN)C(=O)O Amb2699128 [1,1,0,0,0,0|1,0,0]=3 2728 B6R0.3 CC(CN)C(=O)O Amb6773978 [1,1,0,0,0,0|1,0,0]=3 2729 B6R0.3 CC(CN)C(=O)O Amb8631418 [1,1,0,0,0,0|1,0,0]=3 2730 B6R0.3 CC(CO)C(=O)O Amb8011522 [1,1,0,0,0,0|0,0,1]=3 2731 B6R0.3 CC(N=O)C(N)=O Amb26600137 [1,1,0,0,0,0|2,0,0]=4 2732 B6R0.3 CC(NN)C(=O)O Amb18640367 [1,1,0,0,0,0|2,0,0]=4 2733 B6R0.3 CC(O)C(Cl)C=O Amb28121057 [1,1,0,0,0,0|1,0,1]=4 2734 B6R0.3 CC(ON)C(=O)O Amb33038242 [1,1,0,0,0,0|2,0,0]=4 2735 B6R0.3 CCC(=O)C(=O)O Amb3940359 [1,1,0,0,0,0|0,0,2]=4 2736 B6R0.3 CCC(=S)C(=O)O Amb27872099 [1,1,0,0,0,0|0,0,2]=4 2737 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [1,1,0,0,0,0|1,0,1]=4 2738 B6R0.3 CCC(Br)C(=O)Cl Amb17666758 [1,1,0,0,0,0|1,0,1]=4 2739 B6R0.3 CCC(Br)C(=O)O Amb5716858 [1,1,0,0,0,0|0,0,1]=3 2740 B6R0.3 CCC(Br)C(C)=O Amb24615269 [1,1,0,0,0,0|1,0,1]=4 2741 B6R0.3 CCC(Br)C(N)=O Amb13952819 [1,1,0,0,0,0|1,0,1]=4 2742 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [1,1,0,0,0,0|1,0,1]=4 2743 B6R0.3 CCC(C)C(=O)O Amb9703224 [1,1,0,0,0,0|0,0,1]=3 2744 B6R0.3 CCC(C)C(C)=O Amb4605996 [1,1,0,0,0,0|1,0,1]=4 2745 B6R0.3 CCC(C)C(N)=O Amb33548100 [1,1,0,0,0,0|1,0,1]=4 2746 B6R0.3 CCC(Cl)C(=O)Br Amb28384077 [1,1,0,0,0,0|1,0,1]=4 2747 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [1,1,0,0,0,0|1,0,1]=4 2748 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [1,1,0,0,0,0|0,0,1]=3 2749 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [1,1,0,0,0,0|1,0,1]=4 2750 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [1,1,0,0,0,0|1,0,1]=4 2751 B6R0.3 CCC(F)C(=O)O Amb25716167 [1,1,0,0,0,0|0,0,1]=3 2752 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [1,1,0,0,0,0|1,0,1]=4 2753 B6R0.3 CCC(N)C(=O)O Amb9729506 [1,1,0,0,0,0|0,0,1]=3 2754 B6R0.3 CCC(N)C(N)=O Amb1914080 [1,1,0,0,0,0|1,0,1]=4 2755 B6R0.3 CCC(N)C(N)=O Amb33528521 [1,1,0,0,0,0|1,0,1]=4 2756 B6R0.3 CCC(O)C(=O)O Amb6609018 [1,1,0,0,0,0|0,0,1]=3 2757 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [1,1,0,0,0,0|0,0,2]=4 2758 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,1,0,0,0,0|1,0,1]=4 2759 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,1,0,0,0,0|1,0,1]=4 2760 B6R0.3 CCC(S)C(=O)O Amb17501370 [1,1,0,0,0,0|0,0,1]=3 2761 B6R0.3 CCC(S)C(C)=O Amb8393170 [1,1,0,0,0,0|1,0,1]=4 2762 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [1,1,0,0,0,0|0,0,1]=3 2763 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [1,1,0,0,0,0|0,0,1]=3 2764 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [1,1,0,0,0,0|1,0,1]=4 2765 B6R0.3 CC[C@@H](Cl)C(=O)Cl Amb27985877 [1,1,0,0,0,0|1,0,1]=4 2766 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [1,1,0,0,0,0|0,0,1]=3 2767 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [1,1,0,0,0,0|1,0,1]=4 2768 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [1,1,0,0,0,0|0,0,1]=3 2769 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [1,1,0,0,0,0|0,0,1]=3 2770 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [1,1,0,0,0,0|1,0,1]=4 2771 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [1,1,0,0,0,0|1,0,1]=4 2772 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [1,1,0,0,0,0|1,0,1]=4 2773 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [1,1,0,0,0,0|0,0,1]=3 2774 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [1,1,0,0,0,0|1,0,1]=4 2775 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [1,1,0,0,0,0|0,0,1]=3 2776 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [1,1,0,0,0,0|1,0,1]=4 2777 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [1,1,0,0,0,0|0,0,1]=3 2778 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [1,1,0,0,0,0|1,0,1]=4 2779 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [1,1,0,0,0,0|0,0,1]=3 2780 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [1,1,0,0,0,0|0,0,1]=3 2781 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [1,1,0,0,0,0|0,0,1]=3 2782 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [1,1,0,0,0,0|1,0,1]=4 2783 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [1,1,0,0,0,0|1,0,1]=4 2784 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [1,1,0,0,0,0|1,0,1]=4 2785 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [1,1,0,0,0,0|0,0,1]=3 2786 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [1,1,0,0,0,0|0,0,1]=3 2787 B6R0.3 CNC(C)C(=O)O Amb19373699 [1,1,0,0,0,0|1,0,1]=4 2788 B6R0.3 CNC(C)C(=O)O Amb9271766 [1,1,0,0,0,0|1,0,1]=4 2789 B6R0.3 CNC(O)C(=O)O Amb27229907 [1,1,0,0,0,0|1,0,1]=4 2790 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [1,1,0,0,0,0|1,0,1]=4 2791 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [1,1,0,0,0,0|1,0,1]=4 2792 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [1,1,0,0,0,0|1,0,1]=4 2793 B6R0.3 COC(Br)C(=O)O Amb27439128 [1,1,0,0,0,0|1,0,1]=4 2794 B6R0.3 COC(C)C(=O)O Amb9729215 [1,1,0,0,0,0|1,0,1]=4 2795 B6R0.3 COC(Cl)C(=O)O Amb28280799 [1,1,0,0,0,0|1,0,1]=4 2796 B6R0.3 COC(F)C(=O)O Amb27764863 [1,1,0,0,0,0|1,0,1]=4 2797 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [1,1,0,0,0,0|1,0,1]=4 2798 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [1,1,0,0,0,0|1,0,1]=4 2799 B6R0.3 CSC(C)C(=O)O Amb6274567 [1,1,0,0,0,0|1,0,1]=4 2800 B6R0.3 CSC(N)C(=O)O Amb28383509 [1,1,0,0,0,0|1,0,1]=4 2801 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [1,1,0,0,0,0|1,0,1]=4 2802 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [1,1,0,0,0,0|1,0,0]=3 2803 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [1,1,0,0,0,0|1,0,0]=3 2804 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [1,1,0,0,0,0|1,0,0]=3 2805 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [1,1,0,0,0,0|1,0,0]=3 2806 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [1,1,0,0,0,0|0,0,1]=3 2807 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [1,1,0,0,0,0|1,0,1]=4 2808 B6R0.3 C[C@@H](O)[C@H](N)C=O Amb27657440 [1,1,0,0,0,0|1,0,1]=4 2809 B6R0.3 C[C@@H](ON)C(=O)O Amb27169414 [1,1,0,0,0,0|2,0,0]=4 2810 B6R0.3 C[C@@H](ON)C(=O)O Amb33620846 [1,1,0,0,0,0|2,0,0]=4 2811 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [1,1,0,0,0,0|1,0,0]=3 2812 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [1,1,0,0,0,0|2,0,0]=4 2813 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [1,1,0,0,0,0|1,0,0]=3 2814 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [1,1,0,0,0,0|1,0,0]=3 2815 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [1,1,0,0,0,0|1,0,0]=3 2816 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [1,1,0,0,0,0|0,0,1]=3 2817 B6R0.3 C[C@H](NBr)C(=O)O Amb28050211 [1,1,0,0,0,0|2,0,0]=4 2818 B6R0.3 C[C@H](NN)C(=O)O Amb28247936 [1,1,0,0,0,0|2,0,0]=4 2819 B6R0.3 C[C@H](O)[C@H](O)C=O Amb28434698 [1,1,0,0,0,0|1,0,1]=4 2820 B6R0.3 C[C@H](ON)C(=O)O Amb25853808 [1,1,0,0,0,0|2,0,0]=4 2821 B6R0.3 C[C@H](ON)C(=O)O Amb33620847 [1,1,0,0,0,0|2,0,0]=4 2822 B6R0.3 C\C(=C/Br)C(=O)O Amb4014496 [1,1,0,0,0,0|1,0,1]=4 2823 B6R0.3 C\C(=C/F)C(=O)O Amb27469080 [1,1,0,0,0,0|1,0,1]=4 2824 B6R0.3 C\C(=C/I)C(=O)O Amb27838211 [1,1,0,0,0,0|1,0,1]=4 2825 B6R0.3 C\C(O)=C(/C)C=O Amb27238606 [1,1,0,0,0,0|1,0,1]=4 2826 B6R0.3 C\C(O)=C(\Br)C=O Amb27643424 [1,1,0,0,0,0|1,0,1]=4 2827 B6R0.3 C\C(O)=C(\C)C=O Amb27210577 [1,1,0,0,0,0|1,0,1]=4 2828 B6R0.3 C\C=C(/Br)C(=O)O Amb18646193 [1,1,0,0,0,0|1,0,1]=4 2829 B6R0.3 C\C=C(/C)C(=O)O Amb33723768 [1,1,0,0,0,0|1,0,1]=4 2830 B6R0.3 C\C=C(/F)C(=O)O Amb32663762 [1,1,0,0,0,0|1,0,1]=4 2831 B6R0.3 C\C=C(/O)C(=O)O Amb22727962 [1,1,0,0,0,0|1,0,1]=4 2832 B6R0.3 C\C=C(\Br)C(=O)O Amb4014486 [1,1,0,0,0,0|1,0,1]=4 2833 B6R0.3 C\C=C(\C)C(=O)O Amb3445181 [1,1,0,0,0,0|1,0,1]=4 2834 B6R0.3 C\C=C(\Cl)C(=O)O Amb28073985 [1,1,0,0,0,0|1,0,1]=4 2835 B6R0.3 C\C=C(\I)C(=O)O Amb27841305 [1,1,0,0,0,0|1,0,1]=4 2836 B6R0.3 N#CC(N)C(=O)O Amb25328320 [1,1,0,0,0,0|1,0,1]=4 2837 B6R0.3 N#CC(O)C(=O)O Amb27467286 [1,1,0,0,0,0|1,0,1]=4 2838 B6R0.3 NC(=O)C(Br)CBr Amb8390579 [1,1,0,0,0,0|2,0,0]=4 2839 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [1,1,0,0,0,0|2,0,0]=4 2840 B6R0.3 NC(=O)C(N)CO Amb17593097 [1,1,0,0,0,0|1,0,1]=4 2841 B6R0.3 NC(=O)C(N)CO Amb2720301 [1,1,0,0,0,0|1,0,1]=4 2842 B6R0.3 NC(=O)C(N)CS Amb18641990 [1,1,0,0,0,0|1,1,0]=4 2843 B6R0.3 NC(=O)C(N)CS Amb33330875 [1,1,0,0,0,0|1,1,0]=4 2844 B6R0.3 NC(=O)C(O)CO Amb27169520 [1,1,0,0,0,0|1,0,1]=4 2845 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [1,1,0,0,0,0|1,0,1]=4 2846 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [1,1,0,0,0,0|1,0,1]=4 2847 B6R0.3 NC(=O)[C@@H](N)CS Amb23437751 [1,1,0,0,0,0|1,1,0]=4 2848 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [1,1,0,0,0,0|1,0,1]=4 2849 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [1,1,0,0,0,0|1,0,1]=4 2850 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [1,1,0,0,0,0|1,0,1]=4 2851 B6R0.3 NC(CCl)C(=O)O Amb19651457 [1,1,0,0,0,0|1,0,0]=3 2852 B6R0.3 NC(CCl)C(=O)O Amb21961077 [1,1,0,0,0,0|1,0,0]=3 2853 B6R0.3 NC(CF)C(=O)O Amb10839589 [1,1,0,0,0,0|1,0,0]=3 2854 B6R0.3 NC(CO)C(=O)O Amb9702805 [1,1,0,0,0,0|0,0,1]=3 2855 B6R0.3 NC(CP)C(=O)O Amb27234251 [1,1,0,0,0,0|1,0,0]=3 2856 B6R0.3 NC(CS)C(=O)Cl Amb28050358 [1,1,0,0,0,0|1,1,0]=4 2857 B6R0.3 NC(CS)C(=O)O Amb13961966 [1,1,0,0,0,0|0,1,0]=3 2858 B6R0.3 NC(CS)C(=O)O Amb22489523 [1,1,0,0,0,0|0,1,0]=3 2859 B6R0.3 NC(CS)C(=O)O Amb6537913 [1,1,0,0,0,0|0,1,0]=3 2860 B6R0.3 NC(CS)C(=O)O Amb6537914 [1,1,0,0,0,0|0,1,0]=3 2861 B6R0.3 NC(CS)C(=O)S Amb27838279 [1,1,0,0,0,0|0,2,0]=4 2862 B6R0.3 NC(CS)S(=O)O Amb27238568 [1,1,0,0,0,0|1,1,0]=4 2863 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [1,1,0,0,0,0|1,0,0]=3 2864 B6R0.3 NCC(Br)C(=O)O Amb28385732 [1,1,0,0,0,0|1,0,0]=3 2865 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [1,1,0,0,0,0|1,0,0]=3 2866 B6R0.3 NCC(F)C(=O)O Amb22733051 [1,1,0,0,0,0|1,0,0]=3 2867 B6R0.3 NCC(F)C(=O)O Amb2688010 [1,1,0,0,0,0|1,0,0]=3 2868 B6R0.3 NCC(F)C(N)=O Amb26984913 [1,1,0,0,0,0|2,0,0]=4 2869 B6R0.3 NCC(F)C(N)=O Amb32667436 [1,1,0,0,0,0|2,0,0]=4 2870 B6R0.3 NCC(N)C(=O)O Amb22899095 [1,1,0,0,0,0|1,0,0]=3 2871 B6R0.3 NCC(N)C(=O)O Amb2697095 [1,1,0,0,0,0|1,0,0]=3 2872 B6R0.3 NCC(N)C(=O)O Amb8514284 [1,1,0,0,0,0|1,0,0]=3 2873 B6R0.3 NCC(O)C(=O)O Amb8517492 [1,1,0,0,0,0|1,0,0]=3 2874 B6R0.3 NCC(O)C(N)=O Amb27164291 [1,1,0,0,0,0|2,0,0]=4 2875 B6R0.3 NCC(O)C(N)=O Amb28827639 [1,1,0,0,0,0|2,0,0]=4 2876 B6R0.3 NCC(S)C(=O)O Amb17593238 [1,1,0,0,0,0|1,0,0]=3 2877 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [1,1,0,0,0,0|1,0,0]=3 2878 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [1,1,0,0,0,0|1,0,0]=3 2879 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [1,1,0,0,0,0|1,0,0]=3 2880 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [1,1,0,0,0,0|1,0,0]=3 2881 B6R0.3 NC[C@@H](N)C(N)=O Amb27981260 [1,1,0,0,0,0|2,0,0]=4 2882 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [1,1,0,0,0,0|1,0,0]=3 2883 B6R0.3 NC[C@@H](O)C(N)=O Amb28282144 [1,1,0,0,0,0|2,0,0]=4 2884 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [1,1,0,0,0,0|1,0,0]=3 2885 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [1,1,0,0,0,0|1,0,0]=3 2886 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [1,1,0,0,0,0|1,0,0]=3 2887 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [1,1,0,0,0,0|1,0,0]=3 2888 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [1,1,0,0,0,0|1,0,0]=3 2889 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [1,1,0,0,0,0|1,0,0]=3 2890 B6R0.3 NC[C@H](O)C(N)=O Amb32645211 [1,1,0,0,0,0|2,0,0]=4 2891 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [1,1,0,0,0,0|0,1,0]=3 2892 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [1,1,0,0,0,0|1,0,0]=3 2893 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [1,1,0,0,0,0|1,0,0]=3 2894 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [1,1,0,0,0,0|1,0,0]=3 2895 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [1,1,0,0,0,0|0,0,1]=3 2896 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [1,1,0,0,0,0|0,0,1]=3 2897 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [1,1,0,0,0,0|0,1,0]=3 2898 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [1,1,0,0,0,0|0,1,0]=3 2899 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [1,1,0,0,0,0|0,1,0]=3 2900 B6R0.3 N[C@@H](CS)S(=O)O Amb27391675 [1,1,0,0,0,0|1,1,0]=4 2901 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [1,1,0,0,0,0|0,1,0]=3 2902 B6R0.3 N[C@H](CCl)C(=O)Cl Amb28143184 [1,1,0,0,0,0|2,0,0]=4 2903 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [1,1,0,0,0,0|1,0,0]=3 2904 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [1,1,0,0,0,0|1,0,0]=3 2905 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [1,1,0,0,0,0|1,0,1]=4 2906 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [1,1,0,0,0,0|0,0,1]=3 2907 B6R0.3 N[C@H](CS)C(=O)Cl Amb27166396 [1,1,0,0,0,0|1,1,0]=4 2908 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [1,1,0,0,0,0|0,1,0]=3 2909 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [1,1,0,0,0,0|0,1,0]=3 2910 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [1,1,0,0,0,0|0,1,0]=3 2911 B6R0.3 O=C(Cl)C(Br)CBr Amb3940235 [1,1,0,0,0,0|2,0,0]=4 2912 B6R0.3 O=C(Cl)C(Br)CCl Amb28198806 [1,1,0,0,0,0|2,0,0]=4 2913 B6R0.3 O=C(Cl)C(Br)CF Amb28129447 [1,1,0,0,0,0|2,0,0]=4 2914 B6R0.3 O=C(Cl)C(Cl)CCl Amb3940236 [1,1,0,0,0,0|2,0,0]=4 2915 B6R0.3 O=C(O)C(=O)CBr Amb10068671 [1,1,0,0,0,0|1,0,1]=4 2916 B6R0.3 O=C(O)C(=O)CBr Amb8389349 [1,1,0,0,0,0|1,0,1]=4 2917 B6R0.3 O=C(O)C(=O)CCl Amb16233358 [1,1,0,0,0,0|1,0,1]=4 2918 B6R0.3 O=C(O)C(=O)CI Amb27659477 [1,1,0,0,0,0|1,0,1]=4 2919 B6R0.3 O=C(O)C(=O)CO Amb6600025 [1,1,0,0,0,0|0,0,2]=4 2920 B6R0.3 O=C(O)C(=O)CS Amb6600041 [1,1,0,0,0,0|0,1,1]=4 2921 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [1,1,0,0,0,0|1,0,0]=3 2922 B6R0.3 O=C(O)C(Br)CF Amb10605519 [1,1,0,0,0,0|1,0,0]=3 2923 B6R0.3 O=C(O)C(Br)CO Amb18126327 [1,1,0,0,0,0|0,0,1]=3 2924 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [1,1,0,0,0,0|1,0,0]=3 2925 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [1,1,0,0,0,0|0,0,1]=3 2926 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [1,1,0,0,0,0|0,1,0]=3 2927 B6R0.3 O=C(O)C(F)CO Amb17593117 [1,1,0,0,0,0|0,0,1]=3 2928 B6R0.3 O=C(O)C(O)CBr Amb24061932 [1,1,0,0,0,0|1,0,0]=3 2929 B6R0.3 O=C(O)C(O)CCl Amb6371692 [1,1,0,0,0,0|1,0,0]=3 2930 B6R0.3 O=C(O)C(O)CF Amb27476477 [1,1,0,0,0,0|1,0,0]=3 2931 B6R0.3 O=C(O)C(O)CO Amb17593103 [1,1,0,0,0,0|0,0,1]=3 2932 B6R0.3 O=C(O)C(O)CS Amb18642053 [1,1,0,0,0,0|0,1,0]=3 2933 B6R0.3 O=C(O)C(S)CS Amb18643295 [1,1,0,0,0,0|0,1,0]=3 2934 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [1,1,0,0,0,0|0,0,1]=3 2935 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [1,1,0,0,0,0|0,0,1]=3 2936 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [1,1,0,0,0,0|1,0,0]=3 2937 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [1,1,0,0,0,0|1,0,0]=3 2938 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [1,1,0,0,0,0|1,0,0]=3 2939 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [1,1,0,0,0,0|0,0,1]=3 2940 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [1,1,0,0,0,0|0,0,1]=3 2941 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [1,1,0,0,0,0|1,0,0]=3 2942 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [1,1,0,0,0,0|1,0,0]=3 2943 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [1,1,0,0,0,0|0,0,1]=3 2944 B6R0.3 O=C(O)\C(Cl)=C/Cl Amb17593560 [1,1,0,0,0,0|1,0,1]=4 2945 B6R0.3 O=C(O)\C(Cl)=C/O Amb24479774 [1,1,0,0,0,0|0,0,2]=4 2946 B6R0.3 O=C(O)\C(Cl)=C\Cl Amb32409784 [1,1,0,0,0,0|1,0,1]=4 2947 B6R0.3 O=C(O)\C(O)=C/O Amb27220871 [1,1,0,0,0,0|0,0,2]=4 2948 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [1,1,0,0,0,0|0,0,0]=2 2949 B6R0.3 O=CC(F)C(=O)O Amb22055301 [1,1,0,0,0,0|0,0,0]=2 2950 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [1,1,0,0,0,0|0,0,0]=2 2951 B6R0.3 [C-]#[N+]C(C)C(=O)O Amb27974746 [1,1,0,0,0,0|1,0,1]=4 2952 B6R0.5 C=CCP(=O)(O)O Amb24120618 [1,1,0,0,0,0|1,0,1]=4 2953 B6R0.5 C=CCS(=O)(=O)O Amb8479885 [1,1,0,0,0,0|1,0,1]=4 2954 B6R0.5 CCCP(=O)(O)O Amb22230045 [1,1,0,0,0,0|1,0,1]=4 2955 B6R0.5 NCCP(=O)(O)O Amb4297144 [1,1,0,0,0,0|2,0,0]=4 2956 B6R0.5 NCCS(=O)(=O)O Amb2695361 [1,1,0,0,0,0|2,0,0]=4 2957 B6R0.5 NCC[PH](=O)(=O)O Amb28365875 [1,1,0,0,0,0|2,0,0]=4 2958 B6R0.5 O=CCP(=O)(Cl)Cl Amb28388609 [1,1,0,0,0,0|2,0,0]=4 2959 B6R0.5 O=CCP(=O)(O)O Amb27187159 [1,1,0,0,0,0|1,0,0]=3 2960 B6R0.5 O=CCS(=O)(=O)O Amb17593267 [1,1,0,0,0,0|1,0,0]=3 2961 B6R0.5 O=P(O)(O)CCBr Amb8479835 [1,1,0,0,0,0|2,0,0]=4 2962 B6R0.5 O=P(O)(O)CCCl Amb6297766 [1,1,0,0,0,0|2,0,0]=4 2963 B6R0.5 O=P(O)(O)CCO Amb22388824 [1,1,0,0,0,0|1,0,1]=4 2964 B6R0.5 O=S(=O)(O)CCBr Amb17938633 [1,1,0,0,0,0|2,0,0]=4 2965 B6R0.5 O=S(=O)(O)CCCl Amb33513054 [1,1,0,0,0,0|2,0,0]=4 2966 B6R0.5 O=S(=O)(O)CCO Amb8383477 [1,1,0,0,0,0|1,0,1]=4 2967 B6R0.5 O=S(=O)(O)CCS Amb22337676 [1,1,0,0,0,0|1,1,0]=4 2968 B6R0.6 C#CCCCC=O Amb17593060 [1,1,0,0,0,0|1,0,1]=4 2969 B6R0.6 C#CCCNC=O Amb27447032 [1,1,0,0,0,0|1,0,1]=4 2970 B6R0.6 C=C=CCCC=O Amb28208489 [1,1,0,0,0,0|1,0,0]=3 2971 B6R0.6 C=C=CCCCO Amb10605300 [1,1,0,0,0,0|1,0,1]=4 2972 B6R0.6 C=CCC#CC=O Amb28388610 [1,1,0,0,0,0|1,0,1]=4 2973 B6R0.6 C=CCCCC=C Amb22227760 [1,1,0,0,0,0|2,0,0]=4 2974 B6R0.6 C=CCCCC=O Amb13883672 [1,1,0,0,0,0|1,0,0]=3 2975 B6R0.6 C=CCCCCO Amb3940341 [1,1,0,0,0,0|1,0,1]=4 2976 B6R0.6 C=CCCCNO Amb27437399 [1,1,0,0,0,0|1,0,1]=4 2977 B6R0.6 C=CCCCOC Amb24432882 [1,1,0,0,0,0|1,0,1]=4 2978 B6R0.6 C=CCCN=C=O Amb28076943 [1,1,0,0,0,0|1,0,1]=4 2979 B6R0.6 C=CCC\C=C\C Amb22734684 [1,1,0,0,0,0|2,0,0]=4 2980 B6R0.6 C=CCNCC=C Amb3940050 [1,1,0,0,0,0|2,0,0]=4 2981 B6R0.6 C=CCNCCO Amb6706545 [1,1,0,0,0,0|1,0,1]=4 2982 B6R0.6 C=CCOCC=C Amb8515934 [1,1,0,0,0,0|2,0,0]=4 2983 B6R0.6 C=CCOCC=O Amb27402231 [1,1,0,0,0,0|1,0,0]=3 2984 B6R0.6 C=CCOCCO Amb3940609 [1,1,0,0,0,0|1,0,1]=4 2985 B6R0.6 C=CCSCC=C Amb8393147 [1,1,0,0,0,0|2,0,0]=4 2986 B6R0.6 C=CCSCC=O Amb18641509 [1,1,0,0,0,0|1,0,0]=3 2987 B6R0.6 CCCCCC=O Amb3939522 [1,1,0,0,0,0|1,0,1]=4 2988 B6R0.6 CCCCNC=O Amb4017838 [1,1,0,0,0,0|1,0,1]=4 2989 B6R0.6 CCCCOC=O Amb6608882 [1,1,0,0,0,0|1,0,1]=4 2990 B6R0.6 CCOCCC=O Amb25688261 [1,1,0,0,0,0|1,0,1]=4 2991 B6R0.6 CCSCCC=O Amb27254551 [1,1,0,0,0,0|1,0,1]=4 2992 B6R0.6 CC\C=C/CC=O Amb18639157 [1,1,0,0,0,0|1,0,1]=4 2993 B6R0.6 COCCCC=O Amb33530955 [1,1,0,0,0,0|0,0,1]=3 2994 B6R0.6 COCCNC=O Amb24334241 [1,1,0,0,0,0|1,0,1]=4 2995 B6R0.6 COCOCC=O Amb27409311 [1,1,0,0,0,0|1,0,1]=4 2996 B6R0.6 CSCCCC=O Amb25992553 [1,1,0,0,0,0|0,1,1]=4 2997 B6R0.6 CSCCNC=O Amb28437305 [1,1,0,0,0,0|2,0,0]=4 2998 B6R0.6 C\C=C/CCC=O Amb28202620 [1,1,0,0,0,0|1,0,0]=3 2999 B6R0.6 C\C=C/CCCO Amb17614951 [1,1,0,0,0,0|1,0,1]=4 3000 B6R0.6 C\C=C\CCC=O Amb17593074 [1,1,0,0,0,0|1,0,0]=3 3001 B6R0.6 C\C=C\CCCO Amb22347882 [1,1,0,0,0,0|1,0,1]=4 3002 B6R0.6 N#CCCCC=O Amb18120556 [1,1,0,0,0,0|1,0,1]=4 3003 B6R0.6 NCCCCC=O Amb26627836 [1,1,0,0,0,0|1,0,1]=4 3004 B6R0.6 NCCCNC=O Amb5723517 [1,1,0,0,0,0|1,0,1]=4 3005 B6R0.6 O=C=C\C=C/C=O Amb28128301 [1,1,0,0,0,0|0,0,2]=4 3006 B6R0.6 O=CCCCC=O Amb6600455 [1,1,0,0,0,0|0,0,0]=2 3007 B6R0.6 O=CCCCCBr Amb18126353 [1,1,0,0,0,0|1,0,1]=4 3008 B6R0.6 O=CCCCCCl Amb18123550 [1,1,0,0,0,0|1,0,1]=4 3009 B6R0.6 O=CCCCCO Amb10603837 [1,1,0,0,0,0|0,0,1]=3 3010 B6R0.6 O=CCCCN=O Amb27838215 [1,1,0,0,0,0|0,0,1]=3 3011 B6R0.6 O=CCC\C=C/Br Amb27838206 [1,1,0,0,0,0|1,0,0]=3 3012 B6R0.6 O=CCC\C=C\Cl Amb27955198 [1,1,0,0,0,0|1,0,0]=3 3013 B6R0.6 O=CNCCCO Amb27248821 [1,1,0,0,0,0|0,0,1]=3 3014 B6R0.6 O=CNCNC=O Amb4017373 [1,1,0,0,0,0|1,0,0]=3 3015 B6R0.6 O=C\C=C/CC=O Amb28050289 [1,1,0,0,0,0|0,0,1]=3 3016 B6R0.6 O=C\C=C/CCO Amb27235316 [1,1,0,0,0,0|0,0,2]=4 3017 B6R0.6 O=C\C=C\C=C\O Amb27646525 [1,1,0,0,0,0|0,0,2]=4 3018 B6R0.6 O=C\C=C\CC=O Amb17593064 [1,1,0,0,0,0|0,0,1]=3 3019 B6R0.6 O=[PH2]OCCCO Amb27218913 [1,1,0,0,0,0|1,0,1]=4 3020 B6R0.6 OCCC\C=C\Br Amb27483322 [1,1,0,0,0,0|1,0,1]=4 3021 B6R0.6 OCCC\C=C\I Amb27879078 [1,1,0,0,0,0|1,0,1]=4 3022 B6R0.6 [N-]=[N+]=NCCC=O Amb28050185 [1,1,0,0,0,0|2,0,0]=4 3023 B8R0.2 C#C[C@@H](C)[C@H](C)C(=O)O Amb27257738 [0,2,0,0,0,0|1,0,1]=4 3024 B8R0.2 C#C[C@H](C)[C@@H](O)C(=O)O Amb27777980 [0,2,0,0,0,0|1,0,1]=4 3025 B8R0.2 C=C(C(C)=O)C(C)C=O Amb18642419 [0,2,0,0,0,0|1,0,1]=4 3026 B8R0.2 C=CC(=C)C(N)C(=O)O Amb28323133 [0,2,0,0,0,0|1,0,1]=4 3027 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [0,2,0,0,0,0|1,0,0]=3 3028 B8R0.2 C=CC(C)C(C)C(N)=O Amb27835599 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [0,2,0,0,0,0|1,0,0]=3 3030 B8R0.2 C=CC(C)C(N)C(N)=O Amb25993208 [0,2,0,0,0,0|2,0,0]=4 3031 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [0,2,0,0,0,0|1,0,0]=3 3032 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [0,2,0,0,0,0|1,0,0]=3 3033 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [0,2,0,0,0,0|1,0,0]=3 3034 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [0,2,0,0,0,0|1,0,0]=3 3036 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [0,2,0,0,0,0|1,0,0]=3 3037 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [0,2,0,0,0,0|1,0,0]=3 3038 B8R0.2 C=C[C@@H](C)[C@H](C)C(C)=O Amb25986022 [0,2,0,0,0,0|2,0,0]=4 3039 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [0,2,0,0,0,0|1,0,0]=3 3042 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [0,2,0,0,0,0|1,0,0]=3 3043 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [0,2,0,0,0,0|1,0,0]=3 3044 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [0,2,0,0,0,0|1,0,0]=3 3045 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [0,2,0,0,0,0|1,0,0]=3 3046 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [0,2,0,0,0,0|1,0,0]=3 3047 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [0,2,0,0,0,0|1,0,0]=3 3048 B8R0.2 CC(=O)C(C)N(C)C=O Amb28253854 [0,2,0,0,0,0|2,0,0]=4 3049 B8R0.2 CC(C#N)C(N)C(=O)O Amb33065998 [0,2,0,0,0,0|1,0,1]=4 3050 B8R0.2 CC(C#N)[C@@H](N)C(=O)O Amb33308709 [0,2,0,0,0,0|1,0,1]=4 3051 B8R0.2 CC(C#N)[C@H](N)C(=O)O Amb33308645 [0,2,0,0,0,0|1,0,1]=4 3052 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [0,2,0,0,0,0|1,0,1]=4 3053 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [0,2,0,0,0,0|1,0,0]=3 3054 B8R0.2 CC(CCl)C(N)C(=O)O Amb27470876 [0,2,0,0,0,0|1,0,1]=4 3055 B8R0.2 CC(CN)C(C)C(=O)O Amb27217450 [0,2,0,0,0,0|1,0,1]=4 3056 B8R0.2 CC(CN)C(F)C(=O)O Amb35750952 [0,2,0,0,0,0|1,0,1]=4 3057 B8R0.2 CC(CN)C(F)C(=O)O Amb35751592 [0,2,0,0,0,0|1,0,1]=4 3058 B8R0.2 CC(CN)C(O)C(=O)O Amb18642919 [0,2,0,0,0,0|1,0,1]=4 3059 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [0,2,0,0,0,0|0,0,2]=4 3060 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [0,2,0,0,0,0|0,0,2]=4 3061 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [0,2,0,0,0,0|0,0,2]=4 3062 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [0,2,0,0,0,0|0,0,2]=4 3063 B8R0.2 CC(CS)C(C)C(=O)O Amb17593702 [0,2,0,0,0,0|0,1,1]=4 3064 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [0,2,0,0,0,0|1,0,1]=4 3065 B8R0.2 CC(O)C(O)C(O)C=O Amb24711583 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.2 CCC(C)C(Br)C(=O)O Amb4015586 [0,2,0,0,0,0|1,0,1]=4 3067 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [0,2,0,0,0,0|1,0,1]=4 3068 B8R0.2 CCC(C)C(Cl)C(=O)O Amb17593752 [0,2,0,0,0,0|1,0,1]=4 3069 B8R0.2 CCC(C)C(N)C(=O)O Amb9702778 [0,2,0,0,0,0|1,0,1]=4 3070 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [0,2,0,0,0,0|1,0,1]=4 3071 B8R0.2 CCC(C)C(S)C(=O)O Amb27667077 [0,2,0,0,0,0|1,0,1]=4 3072 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [0,2,0,0,0,0|1,0,1]=4 3073 B8R0.2 CCC(C)[C@@H](N)C(=O)O Amb10844500 [0,2,0,0,0,0|1,0,1]=4 3074 B8R0.2 CCC(C)[C@H](Br)C(=O)O Amb28183049 [0,2,0,0,0,0|1,0,1]=4 3075 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [0,2,0,0,0,0|1,0,1]=4 3076 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Amb28314442 [0,2,0,0,0,0|1,0,1]=4 3077 B8R0.2 CCC(C)[C@H](N)C(=O)O Amb10844501 [0,2,0,0,0,0|1,0,1]=4 3078 B8R0.2 CCC(F)C(Br)C(=O)O Amb27858717 [0,2,0,0,0,0|1,0,1]=4 3079 B8R0.2 CCC(N)C(F)C(=O)O Amb33036406 [0,2,0,0,0,0|1,0,1]=4 3080 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [0,2,0,0,0,0|1,0,1]=4 3081 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [0,2,0,0,0,0|1,0,1]=4 3082 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [0,2,0,0,0,0|1,0,1]=4 3083 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [0,2,0,0,0,0|1,0,1]=4 3084 B8R0.2 CC[C@@H](C)C(Cl)C(=O)O Amb27472040 [0,2,0,0,0,0|1,0,1]=4 3085 B8R0.2 CC[C@@H](C)[C@@H](Cl)C(=O)O Amb28130604 [0,2,0,0,0,0|1,0,1]=4 3086 B8R0.2 CC[C@@H](C)[C@@H](F)C(=O)O Amb28347222 [0,2,0,0,0,0|1,0,1]=4 3087 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Amb8513329 [0,2,0,0,0,0|1,0,1]=4 3088 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [0,2,0,0,0,0|1,0,1]=4 3089 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O Amb26866576 [0,2,0,0,0,0|1,0,1]=4 3090 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Amb10068321 [0,2,0,0,0,0|1,0,1]=4 3091 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [0,2,0,0,0,0|1,0,1]=4 3092 B8R0.2 CC[C@H](Br)[C@H](Br)C(=O)O Amb16233350 [0,2,0,0,0,0|1,0,1]=4 3093 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [0,2,0,0,0,0|1,0,1]=4 3094 B8R0.2 CC[C@H](C)C(N)C(=O)O Amb27209489 [0,2,0,0,0,0|1,0,1]=4 3095 B8R0.2 CC[C@H](C)[C@@H](Br)C(=O)O Amb23401386 [0,2,0,0,0,0|1,0,1]=4 3096 B8R0.2 CC[C@H](C)[C@@H](F)C(=O)O Amb27954743 [0,2,0,0,0,0|1,0,1]=4 3097 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Amb8516280 [0,2,0,0,0,0|1,0,1]=4 3098 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O Amb22388560 [0,2,0,0,0,0|1,0,1]=4 3099 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Amb3940753 [0,2,0,0,0,0|1,0,1]=4 3100 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [0,2,0,0,0,0|1,0,1]=4 3101 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [0,2,0,0,0,0|1,0,1]=4 3102 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [0,2,0,0,0,0|1,0,1]=4 3103 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [0,2,0,0,0,0|1,0,1]=4 3104 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [0,2,0,0,0,0|1,0,1]=4 3105 B8R0.2 CNC(C)C(N)C(=O)O Amb18642890 [0,2,0,0,0,0|2,0,0]=4 3106 B8R0.2 COC(C)C(Br)C(=O)O Amb16233352 [0,2,0,0,0,0|2,0,0]=4 3107 B8R0.2 COC(C)C(C)C(=O)O Amb10844268 [0,2,0,0,0,0|2,0,0]=4 3108 B8R0.2 COC(C)C(N)C(=O)O Amb17938689 [0,2,0,0,0,0|2,0,0]=4 3109 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [0,2,0,0,0,0|2,0,0]=4 3110 B8R0.2 COC(C)[C@@H](C)C(=O)O Amb33729616 [0,2,0,0,0,0|2,0,0]=4 3111 B8R0.2 COC(C)[C@@H](N)C(=O)O Amb25733335 [0,2,0,0,0,0|2,0,0]=4 3112 B8R0.2 COC(C)[C@H](C)C(=O)O Amb25722336 [0,2,0,0,0,0|2,0,0]=4 3113 B8R0.2 COC(C)[C@H](N)C(=O)O Amb25881538 [0,2,0,0,0,0|2,0,0]=4 3114 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O Amb26036938 [0,2,0,0,0,0|2,0,0]=4 3115 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O Amb8390422 [0,2,0,0,0,0|2,0,0]=4 3116 B8R0.2 CO[C@H](C)[C@@H](Br)C(=O)O Amb27392325 [0,2,0,0,0,0|2,0,0]=4 3117 B8R0.2 CO[C@H](C)[C@@H](Cl)C(=O)O Amb27424722 [0,2,0,0,0,0|2,0,0]=4 3118 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O Amb16183892 [0,2,0,0,0,0|2,0,0]=4 3119 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [0,2,0,0,0,0|2,0,0]=4 3120 B8R0.2 CS[C@H](C)[C@H](N)C(=O)O Amb27771288 [0,2,0,0,0,0|2,0,0]=4 3121 B8R0.2 C[C@@H](C(=O)O)N(C)N=O Amb27642233 [0,2,0,0,0,0|2,0,0]=4 3122 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [0,2,0,0,0,0|0,0,2]=4 3123 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [0,2,0,0,0,0|0,0,2]=4 3124 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [0,2,0,0,0,0|0,0,2]=4 3125 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 3126 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [0,2,0,0,0,0|1,0,1]=4 3127 B8R0.2 C[C@H](CN)[C@@H](O)C(=O)O Amb27455474 [0,2,0,0,0,0|1,0,1]=4 3128 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)C=O Amb28285149 [0,2,0,0,0,0|1,0,1]=4 3129 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 3130 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O Amb26490972 [0,2,0,0,0,0|1,0,1]=4 3131 B8R0.2 C\C(C=O)=C(/Cl)C(=O)O Amb27199263 [0,2,0,0,0,0|0,0,2]=4 3132 B8R0.2 C\C(C=O)=C(\Cl)C(=O)O Amb28130176 [0,2,0,0,0,0|0,0,2]=4 3133 B8R0.2 C\C=C(/C)C(C)C(=O)O Amb27810548 [0,2,0,0,0,0|1,0,1]=4 3134 B8R0.2 C\C=C(/C)C(N)C(=O)O Amb18642706 [0,2,0,0,0,0|1,0,1]=4 3135 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [0,2,0,0,0,0|1,0,1]=4 3136 B8R0.2 C\C=C(\C)C(C)C(=O)O Amb27626047 [0,2,0,0,0,0|1,0,1]=4 3137 B8R0.2 C\C=C(\C)C(N)C(=O)O Amb27634383 [0,2,0,0,0,0|1,0,1]=4 3138 B8R0.2 C\C=C(\C)[C@H](N)C(=O)O Amb28424373 [0,2,0,0,0,0|1,0,1]=4 3139 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [0,2,0,0,0,0|0,0,2]=4 3140 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [0,2,0,0,0,0|1,0,1]=4 3141 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [0,2,0,0,0,0|1,0,1]=4 3142 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [0,2,0,0,0,0|0,0,2]=4 3143 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [0,2,0,0,0,0|0,0,2]=4 3144 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [0,2,0,0,0,0|1,0,1]=4 3145 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [0,2,0,0,0,0|1,0,1]=4 3146 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [0,2,0,0,0,0|1,0,1]=4 3147 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [0,2,0,0,0,0|1,0,1]=4 3148 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [0,2,0,0,0,0|1,0,1]=4 3149 B8R0.2 NC[C@H](F)[C@H](F)C(=O)O Amb27224824 [0,2,0,0,0,0|1,0,1]=4 3150 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [0,2,0,0,0,0|1,0,1]=4 3151 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [0,2,0,0,0,0|0,0,2]=4 3152 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [0,2,0,0,0,0|0,0,2]=4 3153 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [0,2,0,0,0,0|1,0,1]=4 3154 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [0,2,0,0,0,0|0,0,2]=4 3155 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [0,2,0,0,0,0|0,0,2]=4 3156 B8R0.2 O=C(O)C(Br)C(Br)CBr Amb22347644 [0,2,0,0,0,0|1,0,1]=4 3157 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [0,2,0,0,0,0|0,0,2]=4 3158 B8R0.2 O=C(O)C(O)\C(Cl)=C/Cl Amb28282747 [0,2,0,0,0,0|1,0,1]=4 3159 B8R0.2 O=C(O)C(O)\C(Cl)=C\Cl Amb27439350 [0,2,0,0,0,0|1,0,1]=4 3160 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [0,2,0,0,0,0|0,0,2]=4 3161 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [0,2,0,0,0,0|0,0,2]=4 3162 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [0,2,0,0,0,0|0,0,2]=4 3163 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [0,2,0,0,0,0|0,0,2]=4 3164 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [0,2,0,0,0,0|0,0,0]=2 3165 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [0,2,0,0,0,0|0,0,0]=2 3166 B8R0.2 O=C\C(Br)=C(/Br)C(=O)O Amb26008906 [0,2,0,0,0,0|0,0,2]=4 3167 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O Amb2720702 [0,2,0,0,0,0|0,0,2]=4 3168 B8R0.2 O=C\C(Cl)=C(/Br)C(=O)O Amb4005286 [0,2,0,0,0,0|0,0,2]=4 3169 B8R0.2 O=C\C(Cl)=C(/Cl)C(=O)O Amb18602727 [0,2,0,0,0,0|0,0,2]=4 3170 B8R0.2 O=C\C(Cl)=C(/O)C(=O)O Amb28384527 [0,2,0,0,0,0|0,0,2]=4 3171 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O Amb2720699 [0,2,0,0,0,0|0,0,2]=4 3172 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [0,2,0,0,0,0|1,0,1]=4 3173 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [0,2,0,0,0,0|1,0,1]=4 3174 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [0,2,0,0,0,0|1,0,1]=4 3175 B8R0.5 C#C\C=C(/C)CC(=O)O Amb28410538 [0,2,0,0,0,0|1,0,1]=4 3176 B8R0.5 C=C(Br)CC(C)CC=O Amb27476249 [0,2,0,0,0,0|2,0,0]=4 3177 B8R0.5 C=C(Br)C[C@@H](C)CC=O Amb27270886 [0,2,0,0,0,0|2,0,0]=4 3178 B8R0.5 C=C=CC(C)CC(=O)O Amb27631675 [0,2,0,0,0,0|1,0,0]=3 3179 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [0,2,0,0,0,0|1,0,0]=3 3180 B8R0.5 C=CCC(C)CC(C)=O Amb17593320 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.5 C=CCC(C)NC(C)=O Amb28118292 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [0,2,0,0,0,0|1,0,0]=3 3183 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [0,2,0,0,0,0|1,0,0]=3 3184 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [0,2,0,0,0,0|1,0,0]=3 3185 B8R0.5 C=CCN(C)CC(=O)O Amb9301047 [0,2,0,0,0,0|1,0,0]=3 3186 B8R0.5 C=CCN(C)CC(N)=O Amb28289057 [0,2,0,0,0,0|2,0,0]=4 3187 B8R0.5 C=CC[C@@H](C)CC(C)=O Amb27974516 [0,2,0,0,0,0|2,0,0]=4 3188 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [0,2,0,0,0,0|1,0,0]=3 3189 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [0,2,0,0,0,0|1,0,0]=3 3190 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [0,2,0,0,0,0|1,0,0]=3 3191 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [0,2,0,0,0,0|1,0,0]=3 3192 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [0,2,0,0,0,0|1,0,0]=3 3193 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [0,2,0,0,0,0|1,0,0]=3 3194 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [0,2,0,0,0,0|2,0,0]=4 3195 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [0,2,0,0,0,0|1,0,0]=3 3196 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [0,2,0,0,0,0|1,0,0]=3 3197 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [0,2,0,0,0,0|1,0,0]=3 3198 B8R0.5 CC(=O)OC(C)CC=O Amb18642743 [0,2,0,0,0,0|1,0,0]=3 3199 B8R0.5 CC(=O)SC(C)CC=O Amb27797287 [0,2,0,0,0,0|1,0,0]=3 3200 B8R0.5 CC(=S)NC(C)CC=O Amb28368255 [0,2,0,0,0,0|1,1,0]=4 3201 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [0,2,0,0,0,0|1,0,1]=4 3202 B8R0.5 CC(CC(=O)Cl)N=C=O Amb28397291 [0,2,0,0,0,0|1,0,1]=4 3203 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [0,2,0,0,0,0|0,0,1]=3 3204 B8R0.5 CC(CC(=O)O)N=C=S Amb33471532 [0,2,0,0,0,0|0,1,1]=4 3205 B8R0.5 CC(CC(=O)O)NC#N Amb35634497 [0,2,0,0,0,0|1,0,1]=4 3206 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [0,2,0,0,0,0|0,0,0]=2 3207 B8R0.5 CC(CC(N)=S)NC=O Amb27661366 [0,2,0,0,0,0|1,1,0]=4 3208 B8R0.5 CC(CC=O)CN(=O)=O Amb8391644 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.5 CC(CC=O)NC(N)=O Amb27881145 [0,2,0,0,0,0|1,0,0]=3 3210 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [0,2,0,0,0,0|1,0,1]=4 3211 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [0,2,0,0,0,0|1,0,1]=4 3212 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [0,2,0,0,0,0|1,0,1]=4 3213 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [0,2,0,0,0,0|0,0,2]=4 3214 B8R0.5 CC(O)OC(C)CC=O Amb27827462 [0,2,0,0,0,0|1,0,1]=4 3215 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [0,2,0,0,0,0|1,0,1]=4 3216 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [0,2,0,0,0,0|1,0,1]=4 3217 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [0,2,0,0,0,0|1,0,1]=4 3218 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [0,2,0,0,0,0|1,0,1]=4 3219 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [0,2,0,0,0,0|1,0,1]=4 3220 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [0,2,0,0,0,0|1,0,1]=4 3221 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,2,0,0,0,0|1,0,1]=4 3222 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [0,2,0,0,0,0|1,0,1]=4 3223 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [0,2,0,0,0,0|1,0,1]=4 3224 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [0,2,0,0,0,0|1,0,1]=4 3225 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [0,2,0,0,0,0|1,0,1]=4 3226 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [0,2,0,0,0,0|1,0,1]=4 3227 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [0,2,0,0,0,0|1,0,1]=4 3228 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [0,2,0,0,0,0|1,0,1]=4 3229 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [0,2,0,0,0,0|1,0,1]=4 3230 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [0,2,0,0,0,0|1,0,1]=4 3231 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [0,2,0,0,0,0|1,0,1]=4 3232 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [0,2,0,0,0,0|1,0,1]=4 3233 B8R0.5 CC\C=C(/Br)CC(=O)O Amb28208655 [0,2,0,0,0,0|1,0,1]=4 3234 B8R0.5 CN(CC#N)CC(=O)O Amb9301061 [0,2,0,0,0,0|1,0,1]=4 3235 B8R0.5 CN(CC=O)CC(N)=O Amb28041288 [0,2,0,0,0,0|1,0,0]=3 3236 B8R0.5 CN(CCN)CC(=O)O Amb18313585 [0,2,0,0,0,0|1,0,1]=4 3237 B8R0.5 CN(CCN)CC(=O)O Amb32701580 [0,2,0,0,0,0|1,0,1]=4 3238 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [0,2,0,0,0,0|0,0,2]=4 3239 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [0,2,0,0,0,0|1,0,1]=4 3240 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [0,2,0,0,0,0|1,0,1]=4 3241 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [0,2,0,0,0,0|1,0,1]=4 3242 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,2,0,0,0,0|2,0,0]=4 3243 B8R0.5 COCC(C)CC(=O)O Amb19024342 [0,2,0,0,0,0|0,0,2]=4 3244 B8R0.5 COCC(N)CC(=O)O Amb26641146 [0,2,0,0,0,0|0,0,2]=4 3245 B8R0.5 COCC(O)CC(=O)O Amb18832518 [0,2,0,0,0,0|0,0,2]=4 3246 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [0,2,0,0,0,0|0,0,2]=4 3247 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [0,2,0,0,0,0|0,0,2]=4 3248 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [0,2,0,0,0,0|0,0,2]=4 3249 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [0,2,0,0,0,0|0,0,2]=4 3250 B8R0.5 CONC(C)CC(=O)O Amb26844930 [0,2,0,0,0,0|1,0,1]=4 3251 B8R0.5 CO\C=C(\C)CC(=O)O Amb27410916 [0,2,0,0,0,0|0,0,2]=4 3252 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [0,2,0,0,0,0|1,0,1]=4 3253 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [0,2,0,0,0,0|0,1,1]=4 3254 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [0,2,0,0,0,0|0,1,1]=4 3255 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [0,2,0,0,0,0|0,1,1]=4 3256 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [0,2,0,0,0,0|0,1,1]=4 3257 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [0,2,0,0,0,0|0,1,1]=4 3258 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [0,2,0,0,0,0|0,1,1]=4 3259 B8R0.5 C[C@@H](CC(=O)O)N=[N+]=[N-] Amb27657105 [0,2,0,0,0,0|2,0,0]=4 3260 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [0,2,0,0,0,0|0,0,1]=3 3261 B8R0.5 C[C@H](CC(=O)O)N=C=S Amb33471590 [0,2,0,0,0,0|0,1,1]=4 3262 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [0,2,0,0,0,0|0,0,2]=4 3263 B8R0.5 C\C=C\C(Cl)CC(=O)Cl Amb27407059 [0,2,0,0,0,0|2,0,0]=4 3264 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [0,2,0,0,0,0|1,0,0]=3 3265 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [0,2,0,0,0,0|2,0,0]=4 3266 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [0,2,0,0,0,0|1,0,0]=3 3267 B8R0.5 C\C=C\[C@@H](C)CC(C)=O Amb27598952 [0,2,0,0,0,0|2,0,0]=4 3268 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [0,2,0,0,0,0|1,0,0]=3 3269 B8R0.5 C\C=C\[C@H](C)CC(C)=O Amb28246522 [0,2,0,0,0,0|2,0,0]=4 3270 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [0,2,0,0,0,0|1,0,1]=4 3271 B8R0.5 N#CCS(=O)CC(=O)O Amb18984975 [0,2,0,0,0,0|1,0,1]=4 3272 B8R0.5 NC(=O)CS(=O)CC=O Amb28246278 [0,2,0,0,0,0|1,0,0]=3 3273 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [0,2,0,0,0,0|1,0,1]=4 3274 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [0,2,0,0,0,0|1,0,1]=4 3275 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [0,2,0,0,0,0|1,0,1]=4 3276 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [0,2,0,0,0,0|1,0,1]=4 3277 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [0,2,0,0,0,0|1,0,1]=4 3278 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [0,2,0,0,0,0|1,0,1]=4 3279 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [0,2,0,0,0,0|0,0,2]=4 3280 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [0,2,0,0,0,0|1,0,1]=4 3281 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [0,2,0,0,0,0|0,0,2]=4 3282 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [0,2,0,0,0,0|0,0,2]=4 3283 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [0,2,0,0,0,0|1,0,1]=4 3284 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [0,2,0,0,0,0|1,0,1]=4 3285 B8R0.16 C#CC(C#N)CC(=O)O Amb28144249 [0,2,0,0,0,0|1,0,1]=4 3286 B8R0.16 C=CC(C=C)CC(=O)O Amb18642422 [0,2,0,0,0,0|1,0,0]=3 3287 B8R0.16 C=CC(CC(C)=O)OC Amb26556400 [0,2,0,0,0,0|2,0,0]=4 3288 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [0,2,0,0,0,0|1,0,0]=3 3289 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [0,2,0,0,0,0|1,0,0]=3 3290 B8R0.16 CC(=O)CC(C=O)C=O Amb25767018 [0,2,0,0,0,0|1,0,0]=3 3291 B8R0.16 CC(=O)NC(C=O)CO Amb27816982 [0,2,0,0,0,0|2,0,0]=4 3292 B8R0.16 CC(=O)OC(C=O)C=O Amb28184717 [0,2,0,0,0,0|2,0,0]=4 3293 B8R0.16 CCC(C#N)CC(=O)O Amb26871850 [0,2,0,0,0,0|1,0,1]=4 3294 B8R0.16 CCC(C=O)CC(C)=O Amb18642641 [0,2,0,0,0,0|1,0,0]=3 3295 B8R0.16 CCC(CC(=O)O)OC Amb19037306 [0,2,0,0,0,0|1,0,1]=4 3296 B8R0.16 CCC(CC(=O)O)SC Amb18316304 [0,2,0,0,0,0|1,0,1]=4 3297 B8R0.16 CCC(CC)CC(=O)O Amb6749211 [0,2,0,0,0,0|1,0,1]=4 3298 B8R0.16 CCC(CN)CC(=O)O Amb20669457 [0,2,0,0,0,0|1,0,1]=4 3299 B8R0.16 CCC(CN)CC(=O)O Amb22059482 [0,2,0,0,0,0|1,0,1]=4 3300 B8R0.16 CCN(C=O)CC(=O)O Amb18972736 [0,2,0,0,0,0|1,0,0]=3 3301 B8R0.16 CCN(C=O)CC(N)=O Amb27593321 [0,2,0,0,0,0|2,0,0]=4 3302 B8R0.16 CC[C@H](C=O)CC(=O)[O-] Amb28198369 [0,2,0,0,0,0|0,0,1]=3 3303 B8R0.16 COC(C=O)CC(C)O Amb27830119 [0,2,0,0,0,0|1,0,1]=4 3304 B8R0.16 COC(CC(=O)O)OC Amb22231899 [0,2,0,0,0,0|2,0,0]=4 3305 B8R0.16 COC(CN)CC(=O)O Amb27806172 [0,2,0,0,0,0|1,0,1]=4 3306 B8R0.16 COC(CN)CC(=O)O Amb28555397 [0,2,0,0,0,0|1,0,1]=4 3307 B8R0.16 CSC(CC(=O)O)SC Amb27165674 [0,2,0,0,0,0|2,0,0]=4 3308 B8R0.16 CSC(CCl)CC(=O)O Amb28042698 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.16 C\C=C(/CC)CC(=O)O Amb27473412 [0,2,0,0,0,0|1,0,1]=4 3310 B8R0.16 NCC(CF)CC(=O)O Amb27244579 [0,2,0,0,0,0|1,0,1]=4 3311 B8R0.16 NCC(CO)CC(=O)O Amb22546422 [0,2,0,0,0,0|0,0,2]=4 3312 B8R0.16 NC\C(=C/F)CC(=O)O Amb27960296 [0,2,0,0,0,0|1,0,1]=4 3313 B8R0.16 O=C(O)CC(CF)CF Amb27448541 [0,2,0,0,0,0|1,0,1]=4 3314 B8R0.16 O=C(O)CC(CO)CCl Amb27468690 [0,2,0,0,0,0|0,0,2]=4 3315 B8R0.16 O=C\C(=C/C(=O)O)CCl Amb24656100 [0,2,0,0,0,0|0,0,2]=4 3316 B8R0.19 C#CC(O)CC(=O)OC Amb28078873 [0,2,0,0,0,0|1,0,1]=4 3317 B8R0.19 C#C[C@@H](N)CC(=O)OC Amb27393788 [0,2,0,0,0,0|1,0,1]=4 3318 B8R0.19 C=CC(=O)CC(=O)OC Amb17593339 [0,2,0,0,0,0|1,0,1]=4 3319 B8R0.19 C=CC(O)CC(=C)CO Amb27208236 [0,2,0,0,0,0|2,0,0]=4 3320 B8R0.19 CC(CN)CC(=O)NO Amb27395401 [0,2,0,0,0,0|1,0,1]=4 3321 B8R0.19 CCC(Br)CC(=O)OC Amb27477901 [0,2,0,0,0,0|1,0,1]=4 3322 B8R0.19 CCC(C)CC(=O)CO Amb26515791 [0,2,0,0,0,0|1,0,1]=4 3323 B8R0.19 CCC(C)CC(=O)NO Amb28321295 [0,2,0,0,0,0|1,0,1]=4 3324 B8R0.19 CCC(C)CC(=O)OC Amb22352867 [0,2,0,0,0,0|1,0,1]=4 3325 B8R0.19 CCC(Cl)CC(=O)OC Amb27971680 [0,2,0,0,0,0|1,0,1]=4 3326 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [0,2,0,0,0,0|1,0,1]=4 3327 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [0,2,0,0,0,0|1,0,1]=4 3328 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [0,2,0,0,0,0|1,0,1]=4 3329 B8R0.19 CC[C@@H](C)CC(=O)OC Amb28059460 [0,2,0,0,0,0|1,0,1]=4 3330 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [0,2,0,0,0,0|1,0,1]=4 3331 B8R0.19 CC[C@@H](N)CC(=O)OC Amb26016603 [0,2,0,0,0,0|1,0,1]=4 3332 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [0,2,0,0,0,0|1,0,1]=4 3333 B8R0.19 CC[C@H](N)CC(=O)OC Amb27411455 [0,2,0,0,0,0|1,0,1]=4 3334 B8R0.19 CC[C@H](N)CC(=O)OC Amb33457880 [0,2,0,0,0,0|1,0,1]=4 3335 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [0,2,0,0,0,0|1,0,1]=4 3336 B8R0.19 CNC(C)CC(=O)OC Amb9398364 [0,2,0,0,0,0|2,0,0]=4 3337 B8R0.19 CN[C@H](C)CC(=O)OC Amb33495831 [0,2,0,0,0,0|2,0,0]=4 3338 B8R0.19 COC(=O)CC(C)C#N Amb17334095 [0,2,0,0,0,0|1,0,1]=4 3339 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [0,2,0,0,0,0|0,0,0]=2 3340 B8R0.19 COC(=O)CC(C)CBr Amb24692917 [0,2,0,0,0,0|1,0,1]=4 3341 B8R0.19 COC(=O)CC(C)CN Amb18642843 [0,2,0,0,0,0|1,0,1]=4 3342 B8R0.19 COC(=O)CC(C)CN Amb33457749 [0,2,0,0,0,0|1,0,1]=4 3343 B8R0.19 COC(=O)CC(C)OC Amb9397848 [0,2,0,0,0,0|2,0,0]=4 3344 B8R0.19 COC(=O)CC(C)SC Amb19374125 [0,2,0,0,0,0|2,0,0]=4 3345 B8R0.19 COC(=O)CC(F)C=O Amb27173133 [0,2,0,0,0,0|0,0,0]=2 3346 B8R0.19 COC(=O)CC(F)CBr Amb28400231 [0,2,0,0,0,0|1,0,1]=4 3347 B8R0.19 COC(=O)CC(F)CN Amb28400247 [0,2,0,0,0,0|1,0,1]=4 3348 B8R0.19 COC(=O)CC(N)CN Amb22264781 [0,2,0,0,0,0|1,0,1]=4 3349 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [0,2,0,0,0,0|1,0,1]=4 3350 B8R0.19 COC(=O)CC(O)CF Amb26920791 [0,2,0,0,0,0|1,0,1]=4 3351 B8R0.19 COC(=O)CC(O)CN Amb25146166 [0,2,0,0,0,0|1,0,1]=4 3352 B8R0.19 COC(=O)CC(O)CN Amb32668884 [0,2,0,0,0,0|1,0,1]=4 3353 B8R0.19 COC(=O)CC(O)CO Amb6600485 [0,2,0,0,0,0|0,0,2]=4 3354 B8R0.19 COC(=O)CC([NH3+])C[NH3+] Amb24112943 [0,2,0,0,0,0|1,0,1]=4 3355 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [0,2,0,0,0,0|1,0,0]=3 3356 B8R0.19 COC(=O)CN(C)N=O Amb17618624 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.19 COC(=O)C[C@@H](C)C=O Amb27863686 [0,2,0,0,0,0|0,0,0]=2 3358 B8R0.19 COC(=O)C[C@@H](C)CN Amb27216066 [0,2,0,0,0,0|1,0,1]=4 3359 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [0,2,0,0,0,0|0,0,2]=4 3360 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [0,2,0,0,0,0|1,0,1]=4 3361 B8R0.19 COC(=O)C[C@@H](O)CCl Amb8394990 [0,2,0,0,0,0|1,0,1]=4 3362 B8R0.19 COC(=O)C[C@@H](O)CF Amb33358243 [0,2,0,0,0,0|1,0,1]=4 3363 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [0,2,0,0,0,0|1,0,1]=4 3364 B8R0.19 COC(=O)C[C@@H](O)CN Amb33330793 [0,2,0,0,0,0|1,0,1]=4 3365 B8R0.19 COC(=O)C[C@H](C)C=O Amb28366984 [0,2,0,0,0,0|0,0,0]=2 3366 B8R0.19 COC(=O)C[C@H](C)CN Amb27202560 [0,2,0,0,0,0|1,0,1]=4 3367 B8R0.19 COC(=O)C[C@H](C)CO Amb27831499 [0,2,0,0,0,0|0,0,2]=4 3368 B8R0.19 COC(=O)C[C@H](O)CBr Amb8384043 [0,2,0,0,0,0|1,0,1]=4 3369 B8R0.19 COC(=O)C[C@H](O)CCl Amb2695337 [0,2,0,0,0,0|1,0,1]=4 3370 B8R0.19 COC(=O)C[C@H](O)CF Amb33358247 [0,2,0,0,0,0|1,0,1]=4 3371 B8R0.19 COC(=O)C[C@H](O)CN Amb26604358 [0,2,0,0,0,0|1,0,1]=4 3372 B8R0.19 COC(=O)C[C@H](O)CN Amb33331047 [0,2,0,0,0,0|1,0,1]=4 3373 B8R0.19 COC(=O)C[C@H](O)CO Amb13883661 [0,2,0,0,0,0|0,0,2]=4 3374 B8R0.19 COC(=O)\C=C(/C)C=O Amb25702407 [0,2,0,0,0,0|0,0,2]=4 3375 B8R0.19 C[C@H](C=O)C[C@@H](C)CO Amb27844405 [0,2,0,0,0,0|1,0,1]=4 3376 B8R0.19 C\C(C=O)=C\C(C)C=O Amb27440437 [0,2,0,0,0,0|1,0,1]=4 3377 B8R0.19 C\C=C(/Br)CC(C)C=O Amb27828881 [0,2,0,0,0,0|2,0,0]=4 3378 B8R0.19 C\C=C(\Br)CC(C)C=O Amb28198158 [0,2,0,0,0,0|2,0,0]=4 3379 B8R0.19 O=C(CO)CC(O)CO Amb26067178 [0,2,0,0,0,0|0,0,2]=4 3380 B8R0.19 O=CC(O)CC(=O)CO Amb28144194 [0,2,0,0,0,0|0,0,0]=2 3381 B8R0.19 O=CC(O)CC(O)CO Amb22731319 [0,2,0,0,0,0|0,0,2]=4 3382 B8R0.19 O=C[C@@H](O)C[C@@H](O)CO Amb27394636 [0,2,0,0,0,0|0,0,2]=4 3383 B8R0.19 O=C[C@@H](O)C[C@H](O)CO Amb28388612 [0,2,0,0,0,0|0,0,2]=4 3384 B8R0.19 O=C[C@H](O)CC(=O)CO Amb28121885 [0,2,0,0,0,0|0,0,0]=2 3385 B8R0.19 [C-]#[N+]C(C)CC(=O)OC Amb2688934 [0,2,0,0,0,0|2,0,0]=4 3386 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,2,0,0,0,0|0,0,0]=2 3387 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,2,0,0,0,0|1,0,0]=3 3389 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,2,0,0,0,0|1,0,0]=3 3390 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,2,0,0,0,0|1,0,0]=3 3391 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,2,0,0,0,0|1,0,0]=3 3392 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,2,0,0,0,0|2,0,0]=4 3393 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,2,0,0,0,0|1,0,0]=3 3394 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,2,0,0,0,0|2,0,0]=4 3395 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,2,0,0,0,0|1,0,0]=3 3396 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,2,0,0,0,0|2,0,0]=4 3397 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,2,0,0,0,0|1,0,1]=4 3398 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,2,0,0,0,0|1,0,0]=3 3399 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,2,0,0,0,0|2,0,0]=4 3400 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,2,0,0,0,0|2,0,0]=4 3401 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,2,0,0,0,0|1,0,0]=3 3402 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,2,0,0,0,0|2,0,0]=4 3403 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,2,0,0,0,0|1,0,0]=3 3404 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,2,0,0,0,0|1,0,0]=3 3405 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,2,0,0,0,0|1,0,0]=3 3408 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,2,0,0,0,0|1,0,0]=3 3409 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,2,0,0,0,0|2,0,0]=4 3410 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,2,0,0,0,0|1,0,0]=3 3411 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,2,0,0,0,0|2,0,0]=4 3413 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,2,0,0,0,0|1,0,1]=4 3414 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,2,0,0,0,0|0,0,1]=3 3415 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,2,0,0,0,0|0,0,1]=3 3416 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,2,0,0,0,0|0,0,1]=3 3417 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,2,0,0,0,0|1,0,0]=3 3418 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,2,0,0,0,0|1,0,0]=3 3419 B8R0.23 C=C(Cl)CC(N)C(N)=O Amb33308519 [0,2,0,0,0,0|2,0,0]=4 3420 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,2,0,0,0,0|1,0,0]=3 3421 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,2,0,0,0,0|1,0,0]=3 3422 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,2,0,0,0,0|1,0,0]=3 3423 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,2,0,0,0,0|1,0,0]=3 3424 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,2,0,0,0,0|1,0,0]=3 3425 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,2,0,0,0,0|1,0,0]=3 3426 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,2,0,0,0,0|1,0,0]=3 3427 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,2,0,0,0,0|1,0,1]=4 3428 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,2,0,0,0,0|0,0,1]=3 3429 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,2,0,0,0,0|0,0,0]=2 3430 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,2,0,0,0,0|0,0,0]=2 3431 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,2,0,0,0,0|2,0,0]=4 3432 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,2,0,0,0,0|1,0,1]=4 3434 B8R0.23 CC(=O)C(Cl)C[N+](=O)[O-] Amb27954705 [0,2,0,0,0,0|1,0,1]=4 3435 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,2,0,0,0,0|0,0,0]=2 3436 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,2,0,0,0,0|1,0,0]=3 3437 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,2,0,0,0,0|0,0,0]=2 3438 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,2,0,0,0,0|0,0,1]=3 3439 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,2,0,0,0,0|1,0,1]=4 3440 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,2,0,0,0,0|0,0,0]=2 3441 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,2,0,0,0,0|1,0,0]=3 3442 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,2,0,0,0,0|1,0,1]=4 3443 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,2,0,0,0,0|0,0,0]=2 3444 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,2,0,0,0,0|0,0,0]=2 3445 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,2,0,0,0,0|1,0,0]=3 3446 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,2,0,0,0,0|0,0,0]=2 3447 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,2,0,0,0,0|2,0,0]=4 3448 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,2,0,0,0,0|0,0,0]=2 3449 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,2,0,0,0,0|0,0,0]=2 3450 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,2,0,0,0,0|0,0,0]=2 3451 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,2,0,0,0,0|1,0,0]=3 3452 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,2,0,0,0,0|0,0,0]=2 3453 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,2,0,0,0,0|0,0,0]=2 3454 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,2,0,0,0,0|1,0,0]=3 3455 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,2,0,0,0,0|1,0,0]=3 3457 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,2,0,0,0,0|2,0,0]=4 3458 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,2,0,0,0,0|1,0,0]=3 3459 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,2,0,0,0,0|2,0,0]=4 3460 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,2,0,0,0,0|2,0,0]=4 3461 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,2,0,0,0,0|1,0,0]=3 3462 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,2,0,0,0,0|2,0,0]=4 3463 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,2,0,0,0,0|1,0,0]=3 3464 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,2,0,0,0,0|1,0,0]=3 3466 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,2,0,0,0,0|2,0,0]=4 3467 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,2,0,0,0,0|2,0,0]=4 3468 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,2,0,0,0,0|2,0,0]=4 3469 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,2,0,0,0,0|1,0,0]=3 3470 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,2,0,0,0,0|2,0,0]=4 3471 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,2,0,0,0,0|2,0,0]=4 3472 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,2,0,0,0,0|1,0,0]=3 3473 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,2,0,0,0,0|2,0,0]=4 3474 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,2,0,0,0,0|1,0,0]=3 3475 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,2,0,0,0,0|1,0,0]=3 3477 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,2,0,0,0,0|0,0,0]=2 3478 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,2,0,0,0,0|0,0,0]=2 3479 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,2,0,0,0,0|0,0,2]=4 3480 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,2,0,0,0,0|0,0,2]=4 3481 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,2,0,0,0,0|0,0,2]=4 3482 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,2,0,0,0,0|0,0,2]=4 3483 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,2,0,0,0,0|0,0,2]=4 3484 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,2,0,0,0,0|0,0,2]=4 3485 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,2,0,0,0,0|0,0,2]=4 3486 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,2,0,0,0,0|1,1,0]=4 3487 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,2,0,0,0,0|1,0,1]=4 3488 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,2,0,0,0,0|1,0,1]=4 3489 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,2,0,0,0,0|1,0,1]=4 3490 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,2,0,0,0,0|1,0,1]=4 3491 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,2,0,0,0,0|1,0,1]=4 3492 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,2,0,0,0,0|1,0,1]=4 3493 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,2,0,0,0,0|1,0,1]=4 3494 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,2,0,0,0,0|1,0,1]=4 3495 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,2,0,0,0,0|1,0,1]=4 3496 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,2,0,0,0,0|1,0,1]=4 3497 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,2,0,0,0,0|1,0,1]=4 3498 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,2,0,0,0,0|1,0,1]=4 3499 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,2,0,0,0,0|1,0,1]=4 3500 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,2,0,0,0,0|1,0,1]=4 3501 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,2,0,0,0,0|1,0,1]=4 3502 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,2,0,0,0,0|1,0,1]=4 3503 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,2,0,0,0,0|1,0,1]=4 3504 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,2,0,0,0,0|1,0,1]=4 3505 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,2,0,0,0,0|1,0,1]=4 3506 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,2,0,0,0,0|1,0,1]=4 3507 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,2,0,0,0,0|1,0,1]=4 3508 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,2,0,0,0,0|1,0,1]=4 3509 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,2,0,0,0,0|1,0,1]=4 3510 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,2,0,0,0,0|1,0,1]=4 3511 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,2,0,0,0,0|1,0,1]=4 3512 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,2,0,0,0,0|1,0,1]=4 3513 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,2,0,0,0,0|1,0,1]=4 3514 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,2,0,0,0,0|1,0,1]=4 3515 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,2,0,0,0,0|1,0,1]=4 3516 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,2,0,0,0,0|1,0,1]=4 3517 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,2,0,0,0,0|1,0,1]=4 3518 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,2,0,0,0,0|1,0,1]=4 3519 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,2,0,0,0,0|1,0,1]=4 3520 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,2,0,0,0,0|1,0,1]=4 3521 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,2,0,0,0,0|1,0,1]=4 3522 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,2,0,0,0,0|1,0,1]=4 3523 B8R0.23 CC(CC(=N)N)C(N)=O Amb27209796 [0,2,0,0,0,0|2,0,0]=4 3524 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,2,0,0,0,0|1,0,0]=3 3525 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,2,0,0,0,0|0,0,0]=2 3526 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,2,0,0,0,0|1,0,1]=4 3527 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,2,0,0,0,0|0,0,0]=2 3528 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,2,0,0,0,0|1,0,1]=4 3529 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,2,0,0,0,0|2,0,0]=4 3530 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,2,0,0,0,0|1,0,1]=4 3532 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [0,2,0,0,0,0|1,0,1]=4 3533 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,2,0,0,0,0|0,0,0]=2 3534 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,2,0,0,0,0|1,0,0]=3 3535 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,2,0,0,0,0|2,0,0]=4 3536 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,2,0,0,0,0|2,0,0]=4 3538 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,2,0,0,0,0|1,0,0]=3 3539 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,2,0,0,0,0|1,0,0]=3 3540 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,2,0,0,0,0|2,0,0]=4 3541 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,2,0,0,0,0|1,0,0]=3 3542 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,2,0,0,0,0|1,0,1]=4 3543 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,2,0,0,0,0|1,0,1]=4 3544 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,2,0,0,0,0|1,0,1]=4 3545 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,2,0,0,0,0|1,0,1]=4 3546 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,2,0,0,0,0|1,1,0]=4 3548 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,2,0,0,0,0|1,0,0]=3 3549 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,2,0,0,0,0|0,0,2]=4 3551 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,2,0,0,0,0|1,0,1]=4 3552 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,2,0,0,0,0|0,0,2]=4 3553 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [0,2,0,0,0,0|1,0,1]=4 3554 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,2,0,0,0,0|0,0,2]=4 3555 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,2,0,0,0,0|0,0,2]=4 3556 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,2,0,0,0,0|1,0,0]=3 3557 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,2,0,0,0,0|2,0,0]=4 3558 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,2,0,0,0,0|1,1,0]=4 3559 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,2,0,0,0,0|2,0,0]=4 3560 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,2,0,0,0,0|2,0,0]=4 3561 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,2,0,0,0,0|2,0,0]=4 3562 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,2,0,0,0,0|2,0,0]=4 3563 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,2,0,0,0,0|2,0,0]=4 3564 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,2,0,0,0,0|2,0,0]=4 3565 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,2,0,0,0,0|2,0,0]=4 3568 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,2,0,0,0,0|2,0,0]=4 3569 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,2,0,0,0,0|2,0,0]=4 3570 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,2,0,0,0,0|1,0,0]=3 3571 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,2,0,0,0,0|1,1,0]=4 3572 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,2,0,0,0,0|1,0,0]=3 3573 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,2,0,0,0,0|2,0,0]=4 3574 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,2,0,0,0,0|2,0,0]=4 3576 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,2,0,0,0,0|1,0,0]=3 3577 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,2,0,0,0,0|2,0,0]=4 3578 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,2,0,0,0,0|1,0,0]=3 3579 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,2,0,0,0,0|0,0,0]=2 3581 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [0,2,0,0,0,0|1,0,1]=4 3582 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,2,0,0,0,0|1,0,1]=4 3583 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,2,0,0,0,0|1,0,0]=3 3584 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,2,0,0,0,0|2,0,0]=4 3585 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,2,0,0,0,0|0,0,2]=4 3586 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,2,0,0,0,0|0,0,2]=4 3587 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,2,0,0,0,0|1,0,0]=3 3588 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,2,0,0,0,0|0,0,0]=2 3589 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,2,0,0,0,0|1,0,1]=4 3590 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,2,0,0,0,0|0,0,0]=2 3591 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [0,2,0,0,0,0|1,0,1]=4 3593 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,2,0,0,0,0|1,0,1]=4 3594 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,2,0,0,0,0|1,0,1]=4 3595 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,2,0,0,0,0|1,0,1]=4 3596 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,2,0,0,0,0|1,0,1]=4 3597 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,2,0,0,0,0|1,0,1]=4 3598 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,2,0,0,0,0|2,0,0]=4 3599 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,2,0,0,0,0|2,0,0]=4 3600 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,2,0,0,0,0|2,0,0]=4 3602 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,2,0,0,0,0|0,0,2]=4 3603 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,2,0,0,0,0|1,0,0]=3 3604 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,2,0,0,0,0|1,0,0]=3 3605 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,2,0,0,0,0|1,0,0]=3 3606 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,2,0,0,0,0|0,0,2]=4 3607 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,2,0,0,0,0|0,0,2]=4 3608 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,2,0,0,0,0|0,0,2]=4 3609 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,2,0,0,0,0|0,0,2]=4 3610 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,2,0,0,0,0|1,0,1]=4 3611 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,2,0,0,0,0|1,0,1]=4 3612 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,2,0,0,0,0|0,1,1]=4 3613 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,2,0,0,0,0|0,0,0]=2 3614 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,2,0,0,0,0|0,0,0]=2 3615 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,2,0,0,0,0|0,0,0]=2 3616 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,2,0,0,0,0|0,0,1]=3 3617 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,2,0,0,0,0|0,0,0]=2 3618 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,2,0,0,0,0|0,0,0]=2 3619 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,2,0,0,0,0|0,0,0]=2 3620 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,2,0,0,0,0|0,0,0]=2 3621 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,2,0,0,0,0|1,0,0]=3 3622 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,2,0,0,0,0|0,0,0]=2 3623 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,2,0,0,0,0|0,0,0]=2 3625 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,2,0,0,0,0|0,0,0]=2 3626 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,2,0,0,0,0|0,0,0]=2 3627 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,2,0,0,0,0|0,0,0]=2 3628 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,2,0,0,0,0|1,0,0]=3 3629 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,2,0,0,0,0|0,0,0]=2 3630 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,2,0,0,0,0|1,0,0]=3 3631 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,2,0,0,0,0|0,0,0]=2 3632 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,2,0,0,0,0|0,0,0]=2 3633 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,2,0,0,0,0|0,0,0]=2 3634 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,2,0,0,0,0|1,0,0]=3 3635 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,2,0,0,0,0|0,0,0]=2 3636 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,2,0,0,0,0|1,0,1]=4 3638 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,2,0,0,0,0|1,0,0]=3 3639 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,2,0,0,0,0|1,0,0]=3 3640 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,2,0,0,0,0|0,0,0]=2 3641 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,2,0,0,0,0|0,0,0]=2 3642 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,2,0,0,0,0|0,0,0]=2 3643 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,2,0,0,0,0|0,0,0]=2 3644 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,2,0,0,0,0|0,0,2]=4 3645 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,2,0,0,0,0|0,0,2]=4 3646 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,2,0,0,0,0|0,0,2]=4 3647 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,2,0,0,0,0|0,1,0]=3 3648 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,2,0,0,0,0|1,0,1]=4 3649 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,2,0,0,0,0|1,0,1]=4 3650 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [0,2,0,0,0,0|1,0,1]=4 3651 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [0,2,0,0,0,0|1,0,1]=4 3652 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,2,0,0,0,0|0,0,0]=2 3653 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,2,0,0,0,0|0,0,0]=2 3654 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,2,0,0,0,0|0,0,0]=2 3655 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,2,0,0,0,0|1,0,1]=4 3656 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,2,0,0,0,0|1,0,1]=4 3657 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [0,2,0,0,0,0|1,0,1]=4 3658 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,2,0,0,0,0|1,0,0]=3 3661 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,2,0,0,0,0|0,0,0]=2 3662 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,2,0,0,0,0|0,0,0]=2 3663 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,2,0,0,0,0|0,0,0]=2 3664 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,2,0,0,0,0|0,0,0]=2 3665 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,2,0,0,0,0|0,0,0]=2 3666 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,2,0,0,0,0|0,0,1]=3 3667 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [0,2,0,0,0,0|1,0,1]=4 3668 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [0,2,0,0,0,0|1,0,1]=4 3669 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,2,0,0,0,0|1,0,0]=3 3670 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,2,0,0,0,0|1,0,0]=3 3671 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,2,0,0,0,0|1,0,0]=3 3672 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,2,0,0,0,0|0,0,0]=2 3673 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [0,2,0,0,0,0|1,0,1]=4 3674 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [0,2,0,0,0,0|1,0,1]=4 3675 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,2,0,0,0,0|1,0,0]=3 3676 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,2,0,0,0,0|1,0,1]=4 3677 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [0,2,0,0,0,0|1,0,1]=4 3678 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [0,2,0,0,0,0|0,0,2]=4 3679 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,2,0,0,0,0|1,0,0]=3 3680 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,2,0,0,0,0|0,0,1]=3 3681 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,2,0,0,0,0|0,0,1]=3 3682 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,2,0,0,0,0|0,0,0]=2 3683 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,2,0,0,0,0|1,0,1]=4 3684 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,2,0,0,0,0|0,0,0]=2 3685 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,2,0,0,0,0|0,0,0]=2 3686 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,2,0,0,0,0|0,0,0]=2 3688 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,2,0,0,0,0|0,0,0]=2 3689 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,2,0,0,0,0|0,0,0]=2 3690 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,2,0,0,0,0|0,0,0]=2 3691 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,2,0,0,0,0|0,0,0]=2 3692 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [0,2,0,0,0,0|1,0,1]=4 3693 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,2,0,0,0,0|0,0,0]=2 3694 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,2,0,0,0,0|0,0,0]=2 3695 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,2,0,0,0,0|0,0,0]=2 3696 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,2,0,0,0,0|0,0,0]=2 3697 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [0,2,0,0,0,0|1,0,1]=4 3698 B8R0.23 O=C(O)[C@H](Cl)CC(Cl)Cl Amb27831354 [0,2,0,0,0,0|1,0,1]=4 3699 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,2,0,0,0,0|0,0,2]=4 3700 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,2,0,0,0,0|0,0,2]=4 3701 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,2,0,0,0,0|0,0,2]=4 3702 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,2,0,0,0,0|0,0,2]=4 3703 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,2,0,0,0,0|0,0,2]=4 3704 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,2,0,0,0,0|0,0,2]=4 3705 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,2,0,0,0,0|0,0,1]=3 3706 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,2,0,0,0,0|0,0,1]=3 3707 B8R0.24 CC(C=O)CS(C)(=O)=O Amb33056353 [0,2,0,0,0,0|1,0,1]=4 3708 B8R0.24 O=CC(O)OS(=O)(=O)O Amb27761016 [0,2,0,0,0,0|2,0,0]=4 3709 B8R0.34 C=C(Br)CC(C)(C)C=O Amb27793346 [0,2,0,0,0,0|2,0,0]=4 3710 B8R0.34 C=C(C)CC(C)(C)C=O Amb17593324 [0,2,0,0,0,0|2,0,0]=4 3711 B8R0.34 C=C(Cl)CC(C)(C)C=O Amb25668263 [0,2,0,0,0,0|2,0,0]=4 3712 B8R0.34 C=CC(C)(C)CC(=O)O Amb5718701 [0,2,0,0,0,0|1,0,0]=3 3713 B8R0.34 C=CC(C)(C)CC(C)=O Amb27624403 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.34 C=CC(C)(C)CC(N)=O Amb25680144 [0,2,0,0,0,0|2,0,0]=4 3715 B8R0.34 C=CC(C)(N)CC(=O)O Amb22641965 [0,2,0,0,0,0|1,0,0]=3 3716 B8R0.34 C=CC(C)(N)CC(=O)O Amb31307623 [0,2,0,0,0,0|1,0,0]=3 3717 B8R0.34 C=CC(C)(O)CC(=O)O Amb18642755 [0,2,0,0,0,0|1,0,0]=3 3718 B8R0.34 C=CS(=O)(=O)CC(=O)O Amb25065243 [0,2,0,0,0,0|2,0,0]=4 3719 B8R0.34 C=C[Si](C)(C)CC(=O)O Amb28255729 [0,2,0,0,0,0|1,1,0]=4 3720 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [0,2,0,0,0,0|1,0,0]=3 3721 B8R0.34 CC(=O)CC(C)(C)N=O Amb17593358 [0,2,0,0,0,0|2,0,0]=4 3722 B8R0.34 CC(=O)OC(C)(C)C=O Amb18642744 [0,2,0,0,0,0|2,0,0]=4 3723 B8R0.34 CC(=O)SC(C)(C)C=O Amb27614331 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.34 CC(C)(C#N)CC(=O)O Amb25887307 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.34 CC(C)(C=O)CC(=O)O Amb28401504 [0,2,0,0,0,0|0,0,0]=2 3726 B8R0.34 CC(C)(CBr)CC(=O)O Amb24480039 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.34 CC(C)(CC(=O)O)NO Amb27859691 [0,2,0,0,0,0|1,0,1]=4 3728 B8R0.34 CC(C)(CF)CC(=O)O Amb26575195 [0,2,0,0,0,0|1,0,1]=4 3729 B8R0.34 CC(C)(CI)CC(=O)O Amb33295131 [0,2,0,0,0,0|1,0,1]=4 3730 B8R0.34 CC(C)(CN)CC(=O)O Amb4245619 [0,2,0,0,0,0|1,0,1]=4 3731 B8R0.34 CC(C)(CN)CC(=O)O Amb578353 [0,2,0,0,0,0|1,0,1]=4 3732 B8R0.34 CC(C)(CO)CC(=O)O Amb24116870 [0,2,0,0,0,0|0,0,2]=4 3733 B8R0.34 CC(N)(CCl)CC(=O)O Amb22641961 [0,2,0,0,0,0|1,0,1]=4 3734 B8R0.34 CC(N)(CN)CC(=O)O Amb32787831 [0,2,0,0,0,0|1,0,1]=4 3735 B8R0.34 CC(N)(CO)CC(=O)O Amb27162086 [0,2,0,0,0,0|0,0,2]=4 3736 B8R0.34 CC(O)(CCl)CC(=O)O Amb27409236 [0,2,0,0,0,0|1,0,1]=4 3737 B8R0.34 CC(O)(CN)CC(=O)O Amb25188898 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.34 CC(O)(CN)CC(=O)O Amb28935004 [0,2,0,0,0,0|1,0,1]=4 3739 B8R0.34 CC(O)CC(C)(C)C=O Amb25899702 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.34 CCC(C)(C)CC(=O)O Amb10573669 [0,2,0,0,0,0|1,0,1]=4 3741 B8R0.34 CCC(C)(F)CC(=O)O Amb27645740 [0,2,0,0,0,0|1,0,1]=4 3742 B8R0.34 CCC(C)(N)CC(=O)O Amb25853863 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.34 CCC(C)(O)CC(=O)O Amb18298122 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.34 CCC(F)(F)CC(=O)O Amb32666992 [0,2,0,0,0,0|1,0,1]=4 3745 B8R0.34 CC[C@@](C)(N)CC(=O)O Amb25738026 [0,2,0,0,0,0|1,0,1]=4 3746 B8R0.34 COC(C)(C)CC(=O)O Amb25887304 [0,2,0,0,0,0|2,0,0]=4 3747 B8R0.34 NCC(F)(F)CC(=O)O Amb19148532 [0,2,0,0,0,0|1,0,1]=4 3748 B8R0.34 NCC(F)(F)CC(=O)O Amb32693401 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.34 O=C(O)CC(F)(F)CBr Amb27592325 [0,2,0,0,0,0|1,0,1]=4 3750 B8R0.34 O=C(O)CC(F)(F)CCl Amb33741692 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.34 O=C(O)CC(F)(F)CF Amb33402041 [0,2,0,0,0,0|1,0,1]=4 3752 B8R0.1 C#CCCC(=O)CCO Amb24384003 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.1 C#CCCC(=O)COC Amb28041985 [0,2,0,0,0,0|1,0,1]=4 3754 B8R0.1 C#CCCC(=O)OCC Amb18636093 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.1 C=C(CCO)CCC=O Amb28367058 [0,2,0,0,0,0|1,0,0]=3 3756 B8R0.1 C=CCCC(=C)CCO Amb27218611 [0,2,0,0,0,0|2,0,0]=4 3757 B8R0.1 C=CCCC(=O)CCC Amb9031599 [0,2,0,0,0,0|2,0,0]=4 3758 B8R0.1 C=CCCC(=O)NOC Amb27837663 [0,2,0,0,0,0|1,0,0]=3 3759 B8R0.1 C=CCCC(=O)OCC Amb10601809 [0,2,0,0,0,0|1,0,0]=3 3760 B8R0.1 C=CCCC(=O)\C=C\C Amb27227017 [0,2,0,0,0,0|2,0,0]=4 3761 B8R0.1 C=CCC\C(C)=N/OC Amb28381973 [0,2,0,0,0,0|2,0,0]=4 3762 B8R0.1 C=CCC\C(Cl)=C/CO Amb28205777 [0,2,0,0,0,0|2,0,0]=4 3763 B8R0.1 C=CCNC(=O)CCO Amb17334106 [0,2,0,0,0,0|2,0,0]=4 3764 B8R0.1 C=CCNC(=O)CON Amb27465678 [0,2,0,0,0,0|2,0,0]=4 3765 B8R0.1 C=CCNC(=O)OCC Amb17792413 [0,2,0,0,0,0|2,0,0]=4 3766 B8R0.1 C=CCOC(=O)COC Amb28064916 [0,2,0,0,0,0|2,0,0]=4 3767 B8R0.1 C=CCOC(=O)NOC Amb27977470 [0,2,0,0,0,0|2,0,0]=4 3768 B8R0.1 C=CCOC(=O)OCC Amb22230384 [0,2,0,0,0,0|2,0,0]=4 3769 B8R0.1 CC(CCC=O)NC=O Amb17593357 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.1 CCCC(=O)CCC=O Amb18642627 [0,2,0,0,0,0|1,0,0]=3 3771 B8R0.1 CCCC(=O)NCC=O Amb17102055 [0,2,0,0,0,0|2,0,0]=4 3772 B8R0.1 CCCCC(=O)COC Amb19374627 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.1 CCCCC(=O)OCC Amb6296060 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.1 CCCCC(=O)OCCl Amb28314260 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.1 CCCCC(=O)\C=C\O Amb26515841 [0,2,0,0,0,0|1,0,1]=4 3776 B8R0.1 CCCCC(=O)\C=N\O Amb27963887 [0,2,0,0,0,0|1,0,1]=4 3777 B8R0.1 CCCC\C(O)=C\C=O Amb27257932 [0,2,0,0,0,0|1,0,1]=4 3778 B8R0.1 CCNC(=O)CCC=O Amb27665109 [0,2,0,0,0,0|1,0,0]=3 3779 B8R0.1 CCOC(=O)CCC#N Amb3941721 [0,2,0,0,0,0|1,0,1]=4 3780 B8R0.1 CCOC(=O)CCC=O Amb17593369 [0,2,0,0,0,0|0,0,0]=2 3781 B8R0.1 CCOC(=O)CCCBr Amb3940218 [0,2,0,0,0,0|1,0,1]=4 3782 B8R0.1 CCOC(=O)CCCCl Amb1153203 [0,2,0,0,0,0|1,0,1]=4 3783 B8R0.1 CCOC(=O)CCCN Amb2720231 [0,2,0,0,0,0|1,0,1]=4 3784 B8R0.1 CCOC(=O)CCCN Amb3938993 [0,2,0,0,0,0|1,0,1]=4 3785 B8R0.1 CCOC(=O)CCCO Amb22733346 [0,2,0,0,0,0|0,0,2]=4 3786 B8R0.1 CCOC(=O)CCCS Amb27424650 [0,2,0,0,0,0|0,1,1]=4 3787 B8R0.1 CCOC(=O)CCNC Amb28934933 [0,2,0,0,0,0|2,0,0]=4 3788 B8R0.1 CCOC(=O)CCNC Amb9026169 [0,2,0,0,0,0|2,0,0]=4 3789 B8R0.1 CCOC(=O)CCNN Amb23504114 [0,2,0,0,0,0|2,0,0]=4 3790 B8R0.1 CCOC(=O)CCNO Amb27406192 [0,2,0,0,0,0|1,0,1]=4 3791 B8R0.1 CCOC(=O)CCON Amb24481776 [0,2,0,0,0,0|2,0,0]=4 3792 B8R0.1 CCOC(=O)CN=C=O Amb3939125 [0,2,0,0,0,0|1,0,1]=4 3793 B8R0.1 CCOC(=O)CNC=O Amb16232466 [0,2,0,0,0,0|1,0,0]=3 3794 B8R0.1 CCOC(=O)CNC=S Amb27425028 [0,2,0,0,0,0|1,1,0]=4 3795 B8R0.1 CCOC(=O)C\C=C/Br Amb27482442 [0,2,0,0,0,0|1,0,1]=4 3796 B8R0.1 CCOC(=O)C\C=C\Br Amb27659217 [0,2,0,0,0,0|1,0,1]=4 3797 B8R0.1 CCOC(=O)\C=C\C=O Amb18642570 [0,2,0,0,0,0|0,0,2]=4 3798 B8R0.1 CCOC(=S)SCC=O Amb27827809 [0,2,0,0,0,0|1,1,0]=4 3799 B8R0.1 CCOC(C)CCC=O Amb33424979 [0,2,0,0,0,0|1,0,1]=4 3800 B8R0.1 CCSC(=O)CNC=O Amb27873219 [0,2,0,0,0,0|1,1,0]=4 3801 B8R0.1 CN(CCO)CCC=O Amb27837419 [0,2,0,0,0,0|2,0,0]=4 3802 B8R0.1 COCC(=O)CCC=O Amb28343164 [0,2,0,0,0,0|0,0,0]=2 3803 B8R0.1 COCC(=O)CCCCl Amb27838444 [0,2,0,0,0,0|1,0,1]=4 3804 B8R0.1 COCC(=O)CCCO Amb27869244 [0,2,0,0,0,0|0,0,2]=4 3805 B8R0.1 COCC(C)CCC=O Amb27783800 [0,2,0,0,0,0|1,0,1]=4 3806 B8R0.1 COCC(N)CCC=O Amb33036305 [0,2,0,0,0,0|1,0,1]=4 3807 B8R0.1 COCCC(=O)COC Amb27441027 [0,2,0,0,0,0|2,0,0]=4 3808 B8R0.1 COCCC(=O)NOC Amb27776650 [0,2,0,0,0,0|2,0,0]=4 3809 B8R0.1 CONC(=O)CCC=O Amb27837664 [0,2,0,0,0,0|0,0,0]=2 3810 B8R0.1 CONC(=O)CCCO Amb27810629 [0,2,0,0,0,0|0,0,2]=4 3811 B8R0.1 C[C@H](CC=O)CCC=O Amb28461250 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.1 C\C(=C/C=O)CCC=O Amb27210461 [0,2,0,0,0,0|1,0,0]=3 3813 B8R0.1 C\C(=C/CCl)CCC=O Amb27622941 [0,2,0,0,0,0|2,0,0]=4 3814 B8R0.1 C\C(=C/CO)CCC=O Amb27827380 [0,2,0,0,0,0|1,0,0]=3 3815 B8R0.1 C\C(=C\CCl)CCC=O Amb27865820 [0,2,0,0,0,0|2,0,0]=4 3816 B8R0.1 C\C=C\C(=O)CCC=O Amb24610089 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.1 O=C\C=C/C(=O)CCO Amb27643576 [0,2,0,0,0,0|0,0,2]=4 3818 B8R0.1 [C-]#[N+]CCC(=O)OCC Amb2592648 [0,2,0,0,0,0|2,0,0]=4 3819 B8R0.3 C#CCC(C)C(=O)OC Amb18115942 [0,2,0,0,0,0|1,0,1]=4 3820 B8R0.3 C#CCC(N)C(=O)OC Amb24426865 [0,2,0,0,0,0|1,0,1]=4 3821 B8R0.3 C#CCC(N)C(=O)OC Amb32663324 [0,2,0,0,0,0|1,0,1]=4 3822 B8R0.3 C#CC[C@@H](N)C(=O)OC Amb26919399 [0,2,0,0,0,0|1,0,1]=4 3823 B8R0.3 C#CC[C@H](N)C(=O)OC Amb22746034 [0,2,0,0,0,0|1,0,1]=4 3824 B8R0.3 C#CC[C@H](N)C(=O)OC Amb27870421 [0,2,0,0,0,0|1,0,1]=4 3825 B8R0.3 C=C(NC=O)C(=O)OC Amb8392475 [0,2,0,0,0,0|1,0,1]=4 3826 B8R0.3 C=CCC(=O)C(=O)OC Amb27838686 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.3 C=CCC(C)C(=O)OC Amb27787724 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.3 C=CCC(Cl)C(=O)OC Amb25365264 [0,2,0,0,0,0|1,0,0]=3 3829 B8R0.3 C=CCC(N)C(=O)NO Amb28322025 [0,2,0,0,0,0|1,0,0]=3 3830 B8R0.3 C=CCC(N)C(=O)OC Amb18642703 [0,2,0,0,0,0|1,0,0]=3 3831 B8R0.3 C=CCC(N)C(=O)OC Amb22757544 [0,2,0,0,0,0|1,0,0]=3 3832 B8R0.3 C=CCC(O)C(=C)CO Amb28188293 [0,2,0,0,0,0|2,0,0]=4 3833 B8R0.3 C=CCC(O)C(=O)CC Amb27199094 [0,2,0,0,0,0|2,0,0]=4 3834 B8R0.3 C=CCC(O)C(=O)OC Amb28435077 [0,2,0,0,0,0|1,0,0]=3 3835 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb24635550 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.3 C=CC[C@@H](N)C(=O)OC Amb33868785 [0,2,0,0,0,0|1,0,0]=3 3837 B8R0.3 C=CC[C@H](N)C(=O)OC Amb22750599 [0,2,0,0,0,0|1,0,0]=3 3838 B8R0.3 C=CC[C@H](N)C(=O)OC Amb24120340 [0,2,0,0,0,0|1,0,0]=3 3839 B8R0.3 CC(CCN)C(=O)CO Amb24478589 [0,2,0,0,0,0|1,0,1]=4 3840 B8R0.3 CCC(=O)C(C)OC=O Amb27227136 [0,2,0,0,0,0|2,0,0]=4 3841 B8R0.3 CCC(=O)N(C)CC=O Amb17080669 [0,2,0,0,0,0|2,0,0]=4 3842 B8R0.3 CCCC(Br)C(=O)OC Amb20621576 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.3 CCCC(Cl)C(=O)OF Amb28399722 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.3 CCCC(N)C(=O)NO Amb22059373 [0,2,0,0,0,0|1,0,1]=4 3845 B8R0.3 CCCC(N)C(=O)OC Amb2786376 [0,2,0,0,0,0|1,0,1]=4 3846 B8R0.3 CCCC(N)C(=O)OC Amb33549293 [0,2,0,0,0,0|1,0,1]=4 3847 B8R0.3 CCCC(O)C(=O)CO Amb27802691 [0,2,0,0,0,0|1,0,1]=4 3848 B8R0.3 CCCC(O)C(=O)OC Amb23454534 [0,2,0,0,0,0|1,0,1]=4 3849 B8R0.3 CCC[C@@H](Br)C(=O)OC Amb27166248 [0,2,0,0,0,0|1,0,1]=4 3850 B8R0.3 CCC[C@@H](Cl)C(=O)OC Amb27179954 [0,2,0,0,0,0|1,0,1]=4 3851 B8R0.3 CCC[C@@H](N)C(=O)NO Amb28314574 [0,2,0,0,0,0|1,0,1]=4 3852 B8R0.3 CCC[C@@H](N)C(=O)OC Amb25146086 [0,2,0,0,0,0|1,0,1]=4 3853 B8R0.3 CCC[C@@H](N)C(=O)OC Amb30526950 [0,2,0,0,0,0|1,0,1]=4 3854 B8R0.3 CCC[C@@H](O)C(=O)CO Amb27802757 [0,2,0,0,0,0|1,0,1]=4 3855 B8R0.3 CCC[C@@H](O)C(=O)OC Amb28344665 [0,2,0,0,0,0|1,0,1]=4 3856 B8R0.3 CCC[C@H](Br)C(=O)OC Amb28346240 [0,2,0,0,0,0|1,0,1]=4 3857 B8R0.3 CCC[C@H](C)C(=O)OC Amb28344077 [0,2,0,0,0,0|1,0,1]=4 3858 B8R0.3 CCC[C@H](N)C(=O)OC Amb10844887 [0,2,0,0,0,0|1,0,1]=4 3859 B8R0.3 CCC[C@H](N)C(=O)OC Amb17942871 [0,2,0,0,0,0|1,0,1]=4 3860 B8R0.3 CCC[C@H](O)C(=O)CO Amb27838685 [0,2,0,0,0,0|1,0,1]=4 3861 B8R0.3 CNC(=O)[C@@H](C)NC=O Amb35601863 [0,2,0,0,0,0|2,0,0]=4 3862 B8R0.3 CNCC(C)C(=O)NO Amb28120671 [0,2,0,0,0,0|2,0,0]=4 3863 B8R0.3 CNCC(C)C(=O)OC Amb9288459 [0,2,0,0,0,0|2,0,0]=4 3864 B8R0.3 CNCC(N)C(=O)OC Amb27758128 [0,2,0,0,0,0|2,0,0]=4 3865 B8R0.3 COC(=O)C(=O)CC=O Amb26620730 [0,2,0,0,0,0|0,0,1]=3 3866 B8R0.3 COC(=O)C(Br)CCBr Amb4441764 [0,2,0,0,0,0|1,0,1]=4 3867 B8R0.3 COC(=O)C(Br)CCCl Amb27424625 [0,2,0,0,0,0|1,0,1]=4 3868 B8R0.3 COC(=O)C(Br)CSC Amb28321151 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.3 COC(=O)C(C)CC#N Amb17334094 [0,2,0,0,0,0|1,0,1]=4 3870 B8R0.3 COC(=O)C(C)CC=O Amb18642746 [0,2,0,0,0,0|0,0,0]=2 3871 B8R0.3 COC(=O)C(C)CCBr Amb26493267 [0,2,0,0,0,0|1,0,1]=4 3872 B8R0.3 COC(=O)C(C)CCCl Amb16230918 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.3 COC(=O)C(C)CCN Amb26438013 [0,2,0,0,0,0|1,0,1]=4 3874 B8R0.3 COC(=O)C(C)CCN Amb31156338 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.3 COC(=O)C(C)CON Amb27944891 [0,2,0,0,0,0|2,0,0]=4 3876 B8R0.3 COC(=O)C(C)CSC Amb28203970 [0,2,0,0,0,0|2,0,0]=4 3877 B8R0.3 COC(=O)C(C)N=C=O Amb2688925 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.3 COC(=O)C(F)CCN Amb22388532 [0,2,0,0,0,0|1,0,1]=4 3879 B8R0.3 COC(=O)C(N)CC#N Amb26573884 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.3 COC(=O)C(N)CCBr Amb2695255 [0,2,0,0,0,0|1,0,1]=4 3881 B8R0.3 COC(=O)C(N)CCBr Amb4296941 [0,2,0,0,0,0|1,0,1]=4 3882 B8R0.3 COC(=O)C(N)CCCl Amb27855259 [0,2,0,0,0,0|1,0,1]=4 3883 B8R0.3 COC(=O)C(N)CCF Amb25066743 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.3 COC(=O)C(N)CCN Amb24113143 [0,2,0,0,0,0|1,0,1]=4 3885 B8R0.3 COC(=O)C(N)CCN Amb25733368 [0,2,0,0,0,0|1,0,1]=4 3886 B8R0.3 COC(=O)C(N)CCO Amb18305497 [0,2,0,0,0,0|0,0,2]=4 3887 B8R0.3 COC(=O)C(N)CON Amb27451370 [0,2,0,0,0,0|2,0,0]=4 3888 B8R0.3 COC(=O)C(N)CON Amb33329476 [0,2,0,0,0,0|2,0,0]=4 3889 B8R0.3 COC(=O)C(N)CSC Amb19878256 [0,2,0,0,0,0|2,0,0]=4 3890 B8R0.3 COC(=O)C(N)CSC Amb22052594 [0,2,0,0,0,0|2,0,0]=4 3891 B8R0.3 COC(=O)C(O)CC#N Amb25716720 [0,2,0,0,0,0|1,0,1]=4 3892 B8R0.3 COC(=O)C(O)CCBr Amb28385691 [0,2,0,0,0,0|1,0,1]=4 3893 B8R0.3 COC(=O)C(O)CCF Amb25114455 [0,2,0,0,0,0|1,0,1]=4 3894 B8R0.3 COC(=O)C(O)CCN Amb26960420 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.3 COC(=O)C(O)CSC Amb26009506 [0,2,0,0,0,0|2,0,0]=4 3896 B8R0.3 COC(=O)N(C)CC=O Amb25216418 [0,2,0,0,0,0|1,0,0]=3 3897 B8R0.3 COC(=O)[C@@H](C)N=C=O Amb18015711 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.3 COC(=O)[C@@H](C)NC=O Amb25716179 [0,2,0,0,0,0|1,0,0]=3 3899 B8R0.3 COC(=O)[C@@H](N)CCBr Amb2695271 [0,2,0,0,0,0|1,0,1]=4 3900 B8R0.3 COC(=O)[C@@H](N)CCBr Amb4296950 [0,2,0,0,0,0|1,0,1]=4 3901 B8R0.3 COC(=O)[C@@H](N)CCI Amb27806573 [0,2,0,0,0,0|1,0,1]=4 3902 B8R0.3 COC(=O)[C@@H](N)CCN Amb25727598 [0,2,0,0,0,0|1,0,1]=4 3903 B8R0.3 COC(=O)[C@@H](N)CCN Amb32658006 [0,2,0,0,0,0|1,0,1]=4 3904 B8R0.3 COC(=O)[C@@H](N)CCO Amb24746756 [0,2,0,0,0,0|0,0,2]=4 3905 B8R0.3 COC(=O)[C@@H](N)CSC Amb15701265 [0,2,0,0,0,0|2,0,0]=4 3906 B8R0.3 COC(=O)[C@@H](N)CSC Amb17322841 [0,2,0,0,0,0|2,0,0]=4 3907 B8R0.3 COC(=O)[C@@H](O)CCN Amb25146066 [0,2,0,0,0,0|1,0,1]=4 3908 B8R0.3 COC(=O)[C@@H](O)CCN Amb33457506 [0,2,0,0,0,0|1,0,1]=4 3909 B8R0.3 COC(=O)[C@@H](O)CCO Amb27406740 [0,2,0,0,0,0|0,0,2]=4 3910 B8R0.3 COC(=O)[C@H](C)CC=O Amb28388611 [0,2,0,0,0,0|0,0,0]=2 3911 B8R0.3 COC(=O)[C@H](C)CCO Amb28134520 [0,2,0,0,0,0|0,0,2]=4 3912 B8R0.3 COC(=O)[C@H](C)N=C=O Amb3905386 [0,2,0,0,0,0|1,0,1]=4 3913 B8R0.3 COC(=O)[C@H](C)NC=O Amb24476955 [0,2,0,0,0,0|1,0,0]=3 3914 B8R0.3 COC(=O)[C@H](N)CCBr Amb2695267 [0,2,0,0,0,0|1,0,1]=4 3915 B8R0.3 COC(=O)[C@H](N)CCO Amb26475851 [0,2,0,0,0,0|0,0,2]=4 3916 B8R0.3 COC(=O)[C@H](N)CON Amb27949646 [0,2,0,0,0,0|2,0,0]=4 3917 B8R0.3 COC(=O)[C@H](N)CSC Amb27788444 [0,2,0,0,0,0|2,0,0]=4 3918 B8R0.3 COC(=O)[C@H](O)CCBr Amb27863444 [0,2,0,0,0,0|1,0,1]=4 3919 B8R0.3 COC(=O)[C@H](O)CCO Amb28315513 [0,2,0,0,0,0|0,0,2]=4 3920 B8R0.3 COC(=O)\C(Br)=C\C=O Amb27230610 [0,2,0,0,0,0|0,0,2]=4 3921 B8R0.3 COCC(Br)C(=O)OC Amb10070673 [0,2,0,0,0,0|2,0,0]=4 3922 B8R0.3 COCC(Cl)C(=O)OC Amb27477958 [0,2,0,0,0,0|2,0,0]=4 3923 B8R0.3 COCC(N)C(=O)NO Amb27838499 [0,2,0,0,0,0|2,0,0]=4 3924 B8R0.3 COCC(N)C(=O)OC Amb23454660 [0,2,0,0,0,0|2,0,0]=4 3925 B8R0.3 COCC(N)C(=O)OC Amb32941874 [0,2,0,0,0,0|2,0,0]=4 3926 B8R0.3 COCC(O)C(=O)OC Amb23596463 [0,2,0,0,0,0|2,0,0]=4 3927 B8R0.3 COC[C@@H](N)C(=O)OC Amb33871640 [0,2,0,0,0,0|2,0,0]=4 3928 B8R0.3 COC[C@@H](O)C(=O)CO Amb27180388 [0,2,0,0,0,0|2,0,0]=4 3929 B8R0.3 COC[C@H](N)C(=O)OC Amb27882809 [0,2,0,0,0,0|2,0,0]=4 3930 B8R0.3 CSCC(O)C(=O)CO Amb28141435 [0,2,0,0,0,0|2,0,0]=4 3931 B8R0.3 C\C=C\C(Br)C(=O)OC Amb27476466 [0,2,0,0,0,0|1,0,1]=4 3932 B8R0.3 O=CCC(O)C(O)CO Amb8513489 [0,2,0,0,0,0|0,0,2]=4 3933 B8R0.3 O=CCC(O)C(O)CS Amb27750353 [0,2,0,0,0,0|0,1,1]=4 3934 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO Amb17943012 [0,2,0,0,0,0|0,0,2]=4 3935 B8R0.3 O=CC[C@H](O)[C@H](O)CO Amb2725665 [0,2,0,0,0,0|0,0,2]=4 3936 B8R0.6 C#CC(=O)CNCC=C Amb28282818 [0,2,0,0,0,0|2,0,0]=4 3937 B8R0.6 C#CC(=O)NCCC=C Amb27272673 [0,2,0,0,0,0|2,0,0]=4 3938 B8R0.6 C#CCCCC(=O)OC Amb2721693 [0,2,0,0,0,0|1,0,1]=4 3939 B8R0.6 C#CCCNC(=O)OC Amb24477847 [0,2,0,0,0,0|1,0,1]=4 3940 B8R0.6 C#CCCOC(=O)CO Amb27632704 [0,2,0,0,0,0|1,0,1]=4 3941 B8R0.6 C#CCNCC(=O)NO Amb28410283 [0,2,0,0,0,0|1,0,1]=4 3942 B8R0.6 C#CCNCC(=O)OC Amb6706474 [0,2,0,0,0,0|1,0,1]=4 3943 B8R0.6 C#CCOCC(=O)OC Amb9208653 [0,2,0,0,0,0|1,0,1]=4 3944 B8R0.6 C=C=CCCC(=O)OC Amb10605302 [0,2,0,0,0,0|1,0,0]=3 3945 B8R0.6 C=CC(=C)CCCC=O Amb18642214 [0,2,0,0,0,0|2,0,0]=4 3946 B8R0.6 C=CC(=O)CC\C=C/C Amb27838702 [0,2,0,0,0,0|2,0,0]=4 3947 B8R0.6 C=CCCCC(=C)C=O Amb27802486 [0,2,0,0,0,0|2,0,0]=4 3948 B8R0.6 C=CCCCC(=O)CBr Amb27966828 [0,2,0,0,0,0|2,0,0]=4 3949 B8R0.6 C=CCCCC(=O)CC Amb27249620 [0,2,0,0,0,0|2,0,0]=4 3950 B8R0.6 C=CCCCC(=O)OC Amb22730759 [0,2,0,0,0,0|1,0,0]=3 3951 B8R0.6 C=CCCNC(=O)C=C Amb27185528 [0,2,0,0,0,0|2,0,0]=4 3952 B8R0.6 C=CCCNC(=O)NC Amb27883334 [0,2,0,0,0,0|2,0,0]=4 3953 B8R0.6 C=CCCOC(=O)CO Amb27487083 [0,2,0,0,0,0|1,0,0]=3 3954 B8R0.6 C=CCC\C=C(/C)C=O Amb8392692 [0,2,0,0,0,0|2,0,0]=4 3955 B8R0.6 C=CCC\C=C(\C)C=O Amb27854940 [0,2,0,0,0,0|2,0,0]=4 3956 B8R0.6 C=CCNCC(=O)C=C Amb27165322 [0,2,0,0,0,0|2,0,0]=4 3957 B8R0.6 C=CCNCC(=O)NO Amb27755815 [0,2,0,0,0,0|1,0,0]=3 3958 B8R0.6 C=CCNCC(=O)OC Amb6706546 [0,2,0,0,0,0|1,0,0]=3 3959 B8R0.6 C=CCNC\C(N)=N/O Amb28059897 [0,2,0,0,0,0|2,0,0]=4 3960 B8R0.6 C=CCOCC(=O)CC Amb27181141 [0,2,0,0,0,0|2,0,0]=4 3961 B8R0.6 C=CCOCC(=O)CN Amb26046396 [0,2,0,0,0,0|2,0,0]=4 3962 B8R0.6 C=CCOCC(=O)CO Amb27256454 [0,2,0,0,0,0|1,0,0]=3 3963 B8R0.6 C=CCOCC(=O)NO Amb28204931 [0,2,0,0,0,0|1,0,0]=3 3964 B8R0.6 C=CCOCC(=O)OC Amb7793827 [0,2,0,0,0,0|1,0,0]=3 3965 B8R0.6 C=CCONC(=O)OC Amb27476433 [0,2,0,0,0,0|2,0,0]=4 3966 B8R0.6 C=CCSCC(=O)CC Amb27856651 [0,2,0,0,0,0|2,0,0]=4 3967 B8R0.6 C=CCSCC(=O)NN Amb28121530 [0,2,0,0,0,0|2,0,0]=4 3968 B8R0.6 C=CCSCC(=O)NO Amb27837659 [0,2,0,0,0,0|1,0,0]=3 3969 B8R0.6 C=COCCC(=O)OC Amb27394977 [0,2,0,0,0,0|1,0,0]=3 3970 B8R0.6 C=C\C(C)=C/CCC=O Amb18642241 [0,2,0,0,0,0|2,0,0]=4 3971 B8R0.6 C=C\C=C\CC(=O)OC Amb32675209 [0,2,0,0,0,0|1,0,1]=4 3972 B8R0.6 CC(C=O)CCCC=O Amb18642651 [0,2,0,0,0,0|1,0,1]=4 3973 B8R0.6 CCC(=O)NCCC=O Amb17102166 [0,2,0,0,0,0|1,0,0]=3 3974 B8R0.6 CCCCCC(=O)CO Amb27956467 [0,2,0,0,0,0|1,0,1]=4 3975 B8R0.6 CCCCCC(=O)NO Amb2720996 [0,2,0,0,0,0|1,0,1]=4 3976 B8R0.6 CCCCCC(=O)OC Amb6608968 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.6 CCCCNC(=O)CO Amb5798171 [0,2,0,0,0,0|1,0,1]=4 3978 B8R0.6 CCCCNC(=O)OC Amb3364701 [0,2,0,0,0,0|1,0,1]=4 3979 B8R0.6 CCCCOC(=O)CO Amb9277787 [0,2,0,0,0,0|1,0,1]=4 3980 B8R0.6 CCCCOC(=O)OC Amb25921901 [0,2,0,0,0,0|1,0,1]=4 3981 B8R0.6 CCCNCC(=O)NO Amb27171730 [0,2,0,0,0,0|1,0,1]=4 3982 B8R0.6 CCCNCC(=O)OC Amb28934926 [0,2,0,0,0,0|1,0,1]=4 3983 B8R0.6 CCCNCC(=O)OC Amb6687123 [0,2,0,0,0,0|1,0,1]=4 3984 B8R0.6 CCCSCC(=O)OC Amb7753194 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.6 CCNCCC(=O)OC Amb6739987 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.6 CCOCCC(=O)OC Amb7773814 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.6 CCSCCC(=O)OC Amb4016403 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.6 CC\C(C)=C\CCC=O Amb28131737 [0,2,0,0,0,0|2,0,0]=4 3989 B8R0.6 CC\C=C\CC(=O)OC Amb8517644 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.6 CN(CCCC=O)N=O Amb27966682 [0,2,0,0,0,0|2,0,0]=4 3991 B8R0.6 CNC(=S)SCCC=O Amb27790916 [0,2,0,0,0,0|1,1,0]=4 3992 B8R0.6 CNCCCC(=O)NO Amb28041873 [0,2,0,0,0,0|1,0,1]=4 3993 B8R0.6 CNCCCC(=O)OC Amb7969745 [0,2,0,0,0,0|1,0,1]=4 3994 B8R0.6 CNCCCC(=O)OC Amb8841493 [0,2,0,0,0,0|1,0,1]=4 3995 B8R0.6 COC(=O)CC=C=CBr Amb28195545 [0,2,0,0,0,0|1,0,1]=4 3996 B8R0.6 COC(=O)CCCC#N Amb8961157 [0,2,0,0,0,0|1,0,1]=4 3997 B8R0.6 COC(=O)CCCCBr Amb3940220 [0,2,0,0,0,0|1,0,1]=4 3998 B8R0.6 COC(=O)CCCCCl Amb3940767 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.6 COC(=O)CCCCI Amb4018545 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.6 COC(=O)CCCCN Amb13951283 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.6 COC(=O)CCCCN Amb18642844 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.6 COC(=O)CCCCO Amb22641583 [0,2,0,0,0,0|0,0,2]=4 4003 B8R0.6 COC(=O)CCCCS Amb27218229 [0,2,0,0,0,0|0,1,1]=4 4004 B8R0.6 COC(=O)CCCON Amb25266351 [0,2,0,0,0,0|0,0,2]=4 4005 B8R0.6 COC(=O)CCCON Amb32753844 [0,2,0,0,0,0|0,0,2]=4 4006 B8R0.6 COC(=O)CCN=C=O Amb3905408 [0,2,0,0,0,0|0,0,1]=3 4007 B8R0.6 COC(=O)CCN=C=S Amb520874 [0,2,0,0,0,0|0,1,1]=4 4008 B8R0.6 COC(=O)CCN=[N+]=[N-] Amb22900901 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.6 COC(=O)CCSC#N Amb27624712 [0,2,0,0,0,0|1,0,1]=4 4010 B8R0.6 COC(=O)CC\C=C\Br Amb26433263 [0,2,0,0,0,0|1,0,0]=3 4011 B8R0.6 COC(=O)CNCC#N Amb6707511 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.6 COC(=O)CNCCF Amb27175508 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.6 COC(=O)CNCCN Amb27755951 [0,2,0,0,0,0|1,0,1]=4 4014 B8R0.6 COC(=O)CNCCS Amb28285258 [0,2,0,0,0,0|0,1,1]=4 4015 B8R0.6 COC(=O)COCCBr Amb27657286 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.6 COC(=O)COCCCl Amb8389878 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.6 COC(=O)COCCN Amb24401799 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.6 COC(=O)COCCN Amb33495145 [0,2,0,0,0,0|1,0,1]=4 4019 B8R0.6 COC(=O)COCCO Amb24113538 [0,2,0,0,0,0|0,0,2]=4 4020 B8R0.6 COC(=O)CSCCN Amb19268671 [0,2,0,0,0,0|1,0,1]=4 4021 B8R0.6 COC(=O)CSCCN Amb6272538 [0,2,0,0,0,0|1,0,1]=4 4022 B8R0.6 COC(=O)CSCCO Amb9245011 [0,2,0,0,0,0|0,0,2]=4 4023 B8R0.6 COC(=O)C\C=C\CBr Amb27444630 [0,2,0,0,0,0|1,0,1]=4 4024 B8R0.6 COC(=O)C\C=C\CCl Amb25084500 [0,2,0,0,0,0|1,0,1]=4 4025 B8R0.6 COC(=O)NCCC#N Amb28049746 [0,2,0,0,0,0|1,0,1]=4 4026 B8R0.6 COC(=O)NCCCF Amb27968335 [0,2,0,0,0,0|1,0,1]=4 4027 B8R0.6 COC(=O)NCOC=N Amb27413109 [0,2,0,0,0,0|2,0,0]=4 4028 B8R0.6 COC(=O)N\C=C/C=O Amb27636964 [0,2,0,0,0,0|0,0,2]=4 4029 B8R0.6 COC(=O)N\C=C\C=O Amb18642693 [0,2,0,0,0,0|0,0,2]=4 4030 B8R0.6 COC(=O)OCCCF Amb24088642 [0,2,0,0,0,0|1,0,1]=4 4031 B8R0.6 COC(C)CCCC=O Amb28285296 [0,2,0,0,0,0|1,0,1]=4 4032 B8R0.6 COCCCC(=O)OC Amb8952328 [0,2,0,0,0,0|0,0,2]=4 4033 B8R0.6 COCCNC(=O)CO Amb9421655 [0,2,0,0,0,0|2,0,0]=4 4034 B8R0.6 COCCNC(=O)OC Amb3361553 [0,2,0,0,0,0|2,0,0]=4 4035 B8R0.6 COCCOC(=O)OC Amb26026830 [0,2,0,0,0,0|2,0,0]=4 4036 B8R0.6 COCSCC(=O)OC Amb27972043 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.6 CONCCC(=O)OC Amb26511384 [0,2,0,0,0,0|1,0,1]=4 4038 B8R0.6 CSCCOC(=O)CO Amb28193244 [0,2,0,0,0,0|2,0,0]=4 4039 B8R0.6 C[C@H](C=O)CCCC=O Amb28388637 [0,2,0,0,0,0|1,0,1]=4 4040 B8R0.6 C\C(=C/CCC=O)CO Amb28248122 [0,2,0,0,0,0|1,0,0]=3 4041 B8R0.6 C\C(=C\CCC=O)CO Amb18642621 [0,2,0,0,0,0|1,0,0]=3 4042 B8R0.6 C\C(C#N)=C/CCC=O Amb27424729 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.6 C\C=C\CCC(=O)NC Amb25339401 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.6 NCCCNC(=O)CO Amb28346767 [0,2,0,0,0,0|1,0,1]=4 4045 B8R0.6 NCCSCC(=O)NO Amb28455962 [0,2,0,0,0,0|1,0,1]=4 4046 B8R0.6 O=C(CCCCBr)NO Amb27494446 [0,2,0,0,0,0|1,0,1]=4 4047 B8R0.6 O=C(CCCCCl)NO Amb28326259 [0,2,0,0,0,0|1,0,1]=4 4048 B8R0.6 O=C(CO)NCCCO Amb5798092 [0,2,0,0,0,0|0,0,2]=4 4049 B8R0.6 O=C(CO)OCCCCl Amb27457140 [0,2,0,0,0,0|1,0,1]=4 4050 B8R0.6 O=C(CO)OCCCF Amb27765133 [0,2,0,0,0,0|1,0,1]=4 4051 B8R0.6 O=CCSCC(O)CO Amb27249896 [0,2,0,0,0,0|0,0,2]=4 4052 B8R0.6 [C-]#[N+]CCCC(=O)OC Amb2688933 [0,2,0,0,0,0|1,0,1]=4 4053 B8R0.8 C#CCCC(=O)C(O)O Amb27405278 [0,2,0,0,0,0|1,0,1]=4 4054 B8R0.8 C#CCCC(=O)N(C)O Amb35735506 [0,2,0,0,0,0|1,0,1]=4 4055 B8R0.8 C#CCCC(C)C(=O)O Amb27464960 [0,2,0,0,0,0|1,0,1]=4 4056 B8R0.8 C#CCCC(N)C(=O)O Amb6277526 [0,2,0,0,0,0|1,0,1]=4 4057 B8R0.8 C#CCC[C@@H](N)C(=O)O Amb24088809 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.8 C#CCC[C@H](N)C(=O)O Amb24088866 [0,2,0,0,0,0|1,0,1]=4 4059 B8R0.8 C#CCC[C@H](N)C(=O)O Amb33744060 [0,2,0,0,0,0|1,0,1]=4 4060 B8R0.8 C#CCNC(C)C(=O)O Amb9327029 [0,2,0,0,0,0|1,0,1]=4 4061 B8R0.8 C#CCN[C@H](C)C(=O)O Amb27815665 [0,2,0,0,0,0|1,0,1]=4 4062 B8R0.8 C#CCOC(C)C(=O)O Amb9208661 [0,2,0,0,0,0|1,0,1]=4 4063 B8R0.8 C#CCO[C@H](C)C(=O)O Amb28042909 [0,2,0,0,0,0|1,0,1]=4 4064 B8R0.8 C#CCSC(C)C(=O)O Amb6274343 [0,2,0,0,0,0|1,0,1]=4 4065 B8R0.8 C=C(CCC=O)C(C)=O Amb26006569 [0,2,0,0,0,0|1,0,0]=3 4066 B8R0.8 C=C(CCCC)C(=O)O Amb18642649 [0,2,0,0,0,0|1,0,1]=4 4067 B8R0.8 C=C(CCCO)C(=O)O Amb28313844 [0,2,0,0,0,0|0,0,2]=4 4068 B8R0.8 C=C(CCOC)C(=O)O Amb26588153 [0,2,0,0,0,0|2,0,0]=4 4069 B8R0.8 C=C(CCSC)C(=O)O Amb27188177 [0,2,0,0,0,0|2,0,0]=4 4070 B8R0.8 C=C=CCC(N)C(=O)O Amb25843448 [0,2,0,0,0,0|1,0,0]=3 4071 B8R0.8 C=C=CC[C@@H](N)C(=O)O Amb28070890 [0,2,0,0,0,0|1,0,0]=3 4072 B8R0.8 C=C=CC[C@@H](N)C(N)=O Amb27623437 [0,2,0,0,0,0|2,0,0]=4 4073 B8R0.8 C=CCCC(=C)C(C)=O Amb27834459 [0,2,0,0,0,0|2,0,0]=4 4074 B8R0.8 C=CCCC(=C)C(C)O Amb27812383 [0,2,0,0,0,0|2,0,0]=4 4075 B8R0.8 C=CCCC(=O)C(=C)F Amb27167139 [0,2,0,0,0,0|2,0,0]=4 4076 B8R0.8 C=CCCC(=O)C(=O)O Amb25738669 [0,2,0,0,0,0|1,0,0]=3 4077 B8R0.8 C=CCCC(=O)C(C)Cl Amb28193735 [0,2,0,0,0,0|2,0,0]=4 4078 B8R0.8 C=CCCC(=O)C(C)F Amb27838690 [0,2,0,0,0,0|2,0,0]=4 4079 B8R0.8 C=CCCC(=O)C(F)F Amb27762686 [0,2,0,0,0,0|2,0,0]=4 4080 B8R0.8 C=CCCC(=O)N(C)C Amb25888832 [0,2,0,0,0,0|2,0,0]=4 4081 B8R0.8 C=CCCC(Br)C(=O)O Amb28047448 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.8 C=CCCC(C)C(=O)O Amb18642656 [0,2,0,0,0,0|1,0,0]=3 4083 B8R0.8 C=CCCC(C)C(C)=O Amb27470888 [0,2,0,0,0,0|2,0,0]=4 4084 B8R0.8 C=CCCC(N)C(=O)O Amb24383848 [0,2,0,0,0,0|1,0,0]=3 4085 B8R0.8 C=CCCC(N)C(=O)O Amb28934988 [0,2,0,0,0,0|1,0,0]=3 4086 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [0,2,0,0,0,0|2,0,0]=4 4087 B8R0.8 C=CCCN(C)C(C)=O Amb28370172 [0,2,0,0,0,0|2,0,0]=4 4088 B8R0.8 C=CCC[C@@H](N)C(=O)O Amb23439045 [0,2,0,0,0,0|1,0,0]=3 4089 B8R0.8 C=CCC[C@@H](N)C(N)=O Amb27168705 [0,2,0,0,0,0|2,0,0]=4 4090 B8R0.8 C=CCC[C@H](N)C(=O)O Amb28285244 [0,2,0,0,0,0|1,0,0]=3 4091 B8R0.8 C=CCC[C@H](O)C(=O)O Amb28122952 [0,2,0,0,0,0|1,0,0]=3 4092 B8R0.8 C=CCNC(=O)C(=O)O Amb9238894 [0,2,0,0,0,0|1,0,1]=4 4093 B8R0.8 C=CCNC(=O)C(C)O Amb9421404 [0,2,0,0,0,0|2,0,0]=4 4094 B8R0.8 C=CCNC(=O)[C@@H](C)O Amb27458752 [0,2,0,0,0,0|2,0,0]=4 4095 B8R0.8 C=CCNC(C)C(=O)O Amb9326762 [0,2,0,0,0,0|1,0,0]=3 4096 B8R0.8 C=CCNC(C)C(N)=O Amb9203284 [0,2,0,0,0,0|2,0,0]=4 4097 B8R0.8 C=CCOC(=O)C(=O)O Amb27849418 [0,2,0,0,0,0|1,0,1]=4 4098 B8R0.8 C=CCOC(=O)C(C)O Amb17593366 [0,2,0,0,0,0|2,0,0]=4 4099 B8R0.8 C=CCOC(=O)[C@H](C)O Amb16191895 [0,2,0,0,0,0|2,0,0]=4 4100 B8R0.8 C=CCOC(C)C(=O)O Amb9208699 [0,2,0,0,0,0|1,0,0]=3 4101 B8R0.8 C=CCOC(C)C(C)=O Amb27837483 [0,2,0,0,0,0|2,0,0]=4 4102 B8R0.8 C=CCSC(=S)C(=O)O Amb27953379 [0,2,0,0,0,0|1,0,1]=4 4103 B8R0.8 C=CCSC(C)C(=O)O Amb6273705 [0,2,0,0,0,0|1,0,0]=3 4104 B8R0.8 C=CSCC(N)C(=O)O Amb28321669 [0,2,0,0,0,0|1,0,0]=3 4105 B8R0.8 C=C\C=C\C(C)C(=O)O Amb27595636 [0,2,0,0,0,0|1,0,1]=4 4106 B8R0.8 C=C\C=C\[C@@H](C)C(=O)O Amb27188218 [0,2,0,0,0,0|1,0,1]=4 4107 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [0,2,0,0,0,0|1,0,1]=4 4108 B8R0.8 CC#CCC(C)C(=O)O Amb28281174 [0,2,0,0,0,0|1,0,1]=4 4109 B8R0.8 CC#CCC(N)C(=O)O Amb18988250 [0,2,0,0,0,0|1,0,1]=4 4110 B8R0.8 CC#CCC(N)C(=O)O Amb33551077 [0,2,0,0,0,0|1,0,1]=4 4111 B8R0.8 CC#CC[C@@H](N)C(=O)O Amb22746783 [0,2,0,0,0,0|1,0,1]=4 4112 B8R0.8 CC#CC[C@H](N)C(=O)O Amb27815040 [0,2,0,0,0,0|1,0,1]=4 4113 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [0,2,0,0,0,0|0,0,1]=3 4114 B8R0.8 CC(=O)N(C)CCC=O Amb27985872 [0,2,0,0,0,0|1,0,0]=3 4115 B8R0.8 CC(C)C(=O)NCC=O Amb17102056 [0,2,0,0,0,0|2,0,0]=4 4116 B8R0.8 CC(CCC#N)C(=O)O Amb24462559 [0,2,0,0,0,0|1,0,1]=4 4117 B8R0.8 CC(CCCCl)C(=O)O Amb2720283 [0,2,0,0,0,0|1,0,1]=4 4118 B8R0.8 CC(CCCF)C(=O)O Amb25244585 [0,2,0,0,0,0|1,0,1]=4 4119 B8R0.8 CC(CCCN)C(=O)O Amb25146072 [0,2,0,0,0,0|1,0,1]=4 4120 B8R0.8 CC(CCCN)C(=O)O Amb32686960 [0,2,0,0,0,0|1,0,1]=4 4121 B8R0.8 CC(CN=C=O)C(=O)O Amb33471309 [0,2,0,0,0,0|0,0,1]=3 4122 B8R0.8 CC(CN=C=S)C(=O)O Amb33471538 [0,2,0,0,0,0|0,1,1]=4 4123 B8R0.8 CC(CNC#N)C(=O)O Amb35634505 [0,2,0,0,0,0|1,0,1]=4 4124 B8R0.8 CC(CNC=O)S(C)=O Amb28137624 [0,2,0,0,0,0|2,0,0]=4 4125 B8R0.8 CC(C\C=N\O)C(=O)O Amb27217284 [0,2,0,0,0,0|0,0,1]=3 4126 B8R0.8 CC(NCCS)C(=O)O Amb28057720 [0,2,0,0,0,0|0,1,1]=4 4127 B8R0.8 CC(O)C(=O)CCC=O Amb28430094 [0,2,0,0,0,0|0,0,0]=2 4128 B8R0.8 CC(OCC#N)C(=O)O Amb27465969 [0,2,0,0,0,0|1,0,1]=4 4129 B8R0.8 CC(OCCF)C(=O)O Amb27240801 [0,2,0,0,0,0|1,0,1]=4 4130 B8R0.8 CC(OCCN)C(=O)O Amb22546285 [0,2,0,0,0,0|1,0,1]=4 4131 B8R0.8 CC(OCCO)C(=O)O Amb6680915 [0,2,0,0,0,0|0,0,2]=4 4132 B8R0.8 CC(OCCS)C(=O)O Amb27857332 [0,2,0,0,0,0|0,1,1]=4 4133 B8R0.8 CC(SCC#N)C(=O)O Amb6260833 [0,2,0,0,0,0|1,0,1]=4 4134 B8R0.8 CC(SCCCl)C(=O)O Amb27404902 [0,2,0,0,0,0|1,0,1]=4 4135 B8R0.8 CC(SCCN)C(=O)O Amb17500447 [0,2,0,0,0,0|1,0,1]=4 4136 B8R0.8 CCCCC(=O)C(=O)O Amb18642761 [0,2,0,0,0,0|1,0,1]=4 4137 B8R0.8 CCCCC(=O)[C@@H](C)O Amb25829551 [0,2,0,0,0,0|1,0,1]=4 4138 B8R0.8 CCCCC(=O)[C@H](C)O Amb25097116 [0,2,0,0,0,0|1,0,1]=4 4139 B8R0.8 CCCCC(Br)C(=O)O Amb9703129 [0,2,0,0,0,0|1,0,1]=4 4140 B8R0.8 CCCCC(C)C(=O)O Amb3939937 [0,2,0,0,0,0|1,0,1]=4 4141 B8R0.8 CCCCC(Cl)C(=O)O Amb17593750 [0,2,0,0,0,0|1,0,1]=4 4142 B8R0.8 CCCCC(F)C(=O)O Amb25238781 [0,2,0,0,0,0|1,0,1]=4 4143 B8R0.8 CCCCC(N)C(=O)O Amb4134813 [0,2,0,0,0,0|1,0,1]=4 4144 B8R0.8 CCCCC(O)C(=O)O Amb3941634 [0,2,0,0,0,0|1,0,1]=4 4145 B8R0.8 CCCCC(S)C(=O)O Amb25323873 [0,2,0,0,0,0|1,0,1]=4 4146 B8R0.8 CCCC[C@@H](C)C(=O)O Amb24590691 [0,2,0,0,0,0|1,0,1]=4 4147 B8R0.8 CCCC[C@@H](Cl)C(=O)O Amb27471038 [0,2,0,0,0,0|1,0,1]=4 4148 B8R0.8 CCCC[C@@H](N)C(=O)O Amb1995006 [0,2,0,0,0,0|1,0,1]=4 4149 B8R0.8 CCCC[C@H](Br)C(=O)O Amb28385588 [0,2,0,0,0,0|1,0,1]=4 4150 B8R0.8 CCCC[C@H](C)C(=O)O Amb25850678 [0,2,0,0,0,0|1,0,1]=4 4151 B8R0.8 CCCC[C@H](Cl)C(=O)O Amb27955265 [0,2,0,0,0,0|1,0,1]=4 4152 B8R0.8 CCCC[C@H](N)C(=O)O Amb1995007 [0,2,0,0,0,0|1,0,1]=4 4153 B8R0.8 CCCC[C@H](O)C(=O)O Amb27626002 [0,2,0,0,0,0|1,0,1]=4 4154 B8R0.8 CCCNC(C)C(=O)O Amb9326994 [0,2,0,0,0,0|1,0,1]=4 4155 B8R0.8 CCCN[C@H](C)C(=O)O Amb28073462 [0,2,0,0,0,0|1,0,1]=4 4156 B8R0.8 CCCOC(C)C(=O)O Amb8874518 [0,2,0,0,0,0|1,0,1]=4 4157 B8R0.8 CCCSC(C)C(=O)O Amb6274283 [0,2,0,0,0,0|1,0,1]=4 4158 B8R0.8 CCCSC(F)C(=O)O Amb27655346 [0,2,0,0,0,0|1,0,1]=4 4159 B8R0.8 CCCSC(N)C(=O)O Amb27865736 [0,2,0,0,0,0|1,0,1]=4 4160 B8R0.8 CCCSC(O)C(=O)O Amb27592135 [0,2,0,0,0,0|1,0,1]=4 4161 B8R0.8 CCNCC(C)C(=O)O Amb13952782 [0,2,0,0,0,0|1,0,1]=4 4162 B8R0.8 CCNCC(C)C(=O)O Amb9400285 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.8 CCOCC(Br)C(=O)O Amb28458425 [0,2,0,0,0,0|1,0,1]=4 4164 B8R0.8 CCOCC(C)C(=O)O Amb9172215 [0,2,0,0,0,0|1,0,1]=4 4165 B8R0.8 CCOCC(N)C(=O)O Amb28048685 [0,2,0,0,0,0|1,0,1]=4 4166 B8R0.8 CCOCC(N)C(=O)O Amb33542705 [0,2,0,0,0,0|1,0,1]=4 4167 B8R0.8 CCOC[C@@H](C)C(=O)O Amb25790635 [0,2,0,0,0,0|1,0,1]=4 4168 B8R0.8 CCOC[C@@H](N)C(=O)O Amb25889733 [0,2,0,0,0,0|1,0,1]=4 4169 B8R0.8 CCOC[C@@H](N)C(=O)O Amb30585227 [0,2,0,0,0,0|1,0,1]=4 4170 B8R0.8 CCOC[C@@H](O)C(=O)O Amb33347463 [0,2,0,0,0,0|1,0,1]=4 4171 B8R0.8 CCOC[C@H](C)C(=O)O Amb10844265 [0,2,0,0,0,0|1,0,1]=4 4172 B8R0.8 CCOC[C@H](N)C(=O)O Amb22737184 [0,2,0,0,0,0|1,0,1]=4 4173 B8R0.8 CCOC[C@H](N)C(=O)O Amb24478577 [0,2,0,0,0,0|1,0,1]=4 4174 B8R0.8 CCSCC(C)C(=O)O Amb9400067 [0,2,0,0,0,0|1,0,1]=4 4175 B8R0.8 CCSCC(N)C(=O)O Amb6257004 [0,2,0,0,0,0|1,0,1]=4 4176 B8R0.8 CCSCC(O)C(=O)O Amb27231753 [0,2,0,0,0,0|1,0,1]=4 4177 B8R0.8 CCSC[C@H](O)C(=O)O Amb27983830 [0,2,0,0,0,0|1,0,1]=4 4178 B8R0.8 CC\C=C\C(C)C(=O)O Amb33172515 [0,2,0,0,0,0|1,0,1]=4 4179 B8R0.8 CC\C=C\C(N)C(=O)O Amb33449874 [0,2,0,0,0,0|1,0,1]=4 4180 B8R0.8 CC\C=C\C(O)C(=O)O Amb27781864 [0,2,0,0,0,0|1,0,1]=4 4181 B8R0.8 CC\C=C\[C@@H](N)C(=O)O Amb27239476 [0,2,0,0,0,0|1,0,1]=4 4182 B8R0.8 CN(C)C(=O)CCC=O Amb26512871 [0,2,0,0,0,0|1,0,0]=3 4183 B8R0.8 CN(C)C(=O)CNC=O Amb27774847 [0,2,0,0,0,0|2,0,0]=4 4184 B8R0.8 CN(C)C(=O)OCC=O Amb26986954 [0,2,0,0,0,0|2,0,0]=4 4185 B8R0.8 COCCC(=O)C(=O)O Amb27959741 [0,2,0,0,0,0|2,0,0]=4 4186 B8R0.8 COCCC(C)C(=O)O Amb18523823 [0,2,0,0,0,0|0,0,2]=4 4187 B8R0.8 COCCC(Cl)C(=O)O Amb27424361 [0,2,0,0,0,0|0,0,2]=4 4188 B8R0.8 COCCC(N)C(=O)O Amb32675454 [0,2,0,0,0,0|0,0,2]=4 4189 B8R0.8 COCCC(N)C(=O)O Amb6281324 [0,2,0,0,0,0|0,0,2]=4 4190 B8R0.8 COCCC(O)C(=O)O Amb27647966 [0,2,0,0,0,0|0,0,2]=4 4191 B8R0.8 COCCN(C)C(=O)O Amb32677018 [0,2,0,0,0,0|2,0,0]=4 4192 B8R0.8 COCC[C@@H](N)C(=O)O Amb16183870 [0,2,0,0,0,0|0,0,2]=4 4193 B8R0.8 COCC[C@H](N)C(=O)O Amb16183872 [0,2,0,0,0,0|0,0,2]=4 4194 B8R0.8 COCC[C@H](N)C(=O)O Amb24054991 [0,2,0,0,0,0|0,0,2]=4 4195 B8R0.8 COCOC(C)C(=O)O Amb28120688 [0,2,0,0,0,0|2,0,0]=4 4196 B8R0.8 COCSC(C)C(=O)O Amb28410278 [0,2,0,0,0,0|2,0,0]=4 4197 B8R0.8 CO\C=C\[C@@H](N)C(=O)O Amb27427471 [0,2,0,0,0,0|0,0,2]=4 4198 B8R0.8 CPOC[C@H](N)C(=O)O Amb27424475 [0,2,0,0,0,0|2,0,0]=4 4199 B8R0.8 CSCCC(=N)C(=O)O Amb27196552 [0,2,0,0,0,0|2,0,0]=4 4200 B8R0.8 CSCCC(=O)C(=O)O Amb18643588 [0,2,0,0,0,0|2,0,0]=4 4201 B8R0.8 CSCCC(C)C(=O)O Amb24739356 [0,2,0,0,0,0|0,1,1]=4 4202 B8R0.8 CSCCC(Cl)C(=O)O Amb27468599 [0,2,0,0,0,0|0,1,1]=4 4203 B8R0.8 CSCCC(N)C(=O)O Amb9703095 [0,2,0,0,0,0|0,1,1]=4 4204 B8R0.8 CSCCC(O)C(=O)O Amb18304609 [0,2,0,0,0,0|0,1,1]=4 4205 B8R0.8 CSCC[C@@H](N)C(=O)O Amb2720567 [0,2,0,0,0,0|0,1,1]=4 4206 B8R0.8 CSCC[C@@H](O)C(=O)O Amb25124092 [0,2,0,0,0,0|0,1,1]=4 4207 B8R0.8 CSCC[C@H](Cl)C(=O)O Amb28286496 [0,2,0,0,0,0|0,1,1]=4 4208 B8R0.8 CSCC[C@H](N)C(=O)O Amb5720611 [0,2,0,0,0,0|0,1,1]=4 4209 B8R0.8 CSCC[C@H](O)C(=O)O Amb28285270 [0,2,0,0,0,0|0,1,1]=4 4210 B8R0.8 CSCOC(N)C(=O)O Amb27634144 [0,2,0,0,0,0|2,0,0]=4 4211 B8R0.8 CSCO[C@H](N)C(=O)O Amb28183053 [0,2,0,0,0,0|2,0,0]=4 4212 B8R0.8 CSOCC(N)C(=O)O Amb28285144 [0,2,0,0,0,0|1,1,0]=4 4213 B8R0.8 CSSCC(C)C(=O)O Amb27240302 [0,2,0,0,0,0|1,1,0]=4 4214 B8R0.8 CSSC[C@@H](N)C(=O)O Amb28381312 [0,2,0,0,0,0|1,1,0]=4 4215 B8R0.8 CSSC[C@H](N)C(=O)O Amb28118786 [0,2,0,0,0,0|1,1,0]=4 4216 B8R0.8 CS\C=C/[C@H](N)C(=O)O Amb26006745 [0,2,0,0,0,0|0,1,1]=4 4217 B8R0.8 CS\C=C\C(N)C(=O)O Amb27759361 [0,2,0,0,0,0|0,1,1]=4 4218 B8R0.8 C[C@@H](CCC#N)C(=O)O Amb27870712 [0,2,0,0,0,0|1,0,1]=4 4219 B8R0.8 C[C@@H](CCCN)C(=O)O Amb28314637 [0,2,0,0,0,0|1,0,1]=4 4220 B8R0.8 C[C@@H](CN=[N+]=[N-])C(=O)O Amb27955982 [0,2,0,0,0,0|2,0,0]=4 4221 B8R0.8 C[C@@H](NCCF)C(=O)O Amb28073998 [0,2,0,0,0,0|1,0,1]=4 4222 B8R0.8 C[C@@H](NCCO)C(=O)O Amb26885478 [0,2,0,0,0,0|0,0,2]=4 4223 B8R0.8 C[C@@H](OCCF)C(=O)O Amb27763930 [0,2,0,0,0,0|1,0,1]=4 4224 B8R0.8 C[C@@H](OCCO)C(=O)O Amb28318043 [0,2,0,0,0,0|0,0,2]=4 4225 B8R0.8 C[C@@H](SCCN)C(=O)O Amb27170977 [0,2,0,0,0,0|1,0,1]=4 4226 B8R0.8 C[C@H](NCC#N)C(=O)O Amb28079480 [0,2,0,0,0,0|1,0,1]=4 4227 B8R0.8 C[C@H](NCCO)C(=O)O Amb28058421 [0,2,0,0,0,0|0,0,2]=4 4228 B8R0.8 C[C@H](O)[C@@H](O)CCC=O Amb28042891 [0,2,0,0,0,0|0,0,2]=4 4229 B8R0.8 C[C@H](OCCN)C(=O)O Amb27479935 [0,2,0,0,0,0|1,0,1]=4 4230 B8R0.8 C[C@H](OCCO)C(=O)O Amb27398048 [0,2,0,0,0,0|0,0,2]=4 4231 B8R0.8 C[Se]CCC(N)C(=O)O Amb8514803 [0,2,0,0,0,0|0,1,1]=4 4232 B8R0.8 C[Se]CC[C@@H](N)C(=O)O Amb31031165 [0,2,0,0,0,0|0,1,1]=4 4233 B8R0.8 C[Se]CC[C@H](N)C(=O)O Amb8514895 [0,2,0,0,0,0|0,1,1]=4 4234 B8R0.8 C\C=C/CC(=O)C(=O)O Amb27450808 [0,2,0,0,0,0|1,0,1]=4 4235 B8R0.8 C\C=C\CC(=O)C(=O)O Amb18642583 [0,2,0,0,0,0|1,0,1]=4 4236 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [0,2,0,0,0,0|1,0,0]=3 4237 B8R0.8 C\C=C\CC(C)C(C)=O Amb27799374 [0,2,0,0,0,0|2,0,0]=4 4238 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [0,2,0,0,0,0|1,0,0]=3 4239 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [0,2,0,0,0,0|1,0,0]=3 4240 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [0,2,0,0,0,0|2,0,0]=4 4241 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [0,2,0,0,0,0|2,0,0]=4 4242 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [0,2,0,0,0,0|1,0,0]=3 4243 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [0,2,0,0,0,0|1,0,0]=3 4244 B8R0.8 C\C=C\C[C@H](C)C(C)=O Amb26891739 [0,2,0,0,0,0|2,0,0]=4 4245 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [0,2,0,0,0,0|1,0,0]=3 4246 B8R0.8 N#CCCC(Br)C(=O)O Amb27863558 [0,2,0,0,0,0|1,0,1]=4 4247 B8R0.8 N#CCCC(N)C(=O)O Amb18642589 [0,2,0,0,0,0|1,0,1]=4 4248 B8R0.8 N#CCCC(O)C(=O)O Amb28239951 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.8 N#CCCC([AlH5])C(=O)O Amb31132465 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.8 N#CCC[C@@H](N)C(=O)O Amb25063958 [0,2,0,0,0,0|1,0,1]=4 4251 B8R0.8 N#CCC[C@H](N)C(=O)O Amb16183912 [0,2,0,0,0,0|1,0,1]=4 4252 B8R0.8 N#CCC[C@H](O)C(=O)O Amb28144260 [0,2,0,0,0,0|1,0,1]=4 4253 B8R0.8 N#CNCC(O)C(=O)O Amb35634509 [0,2,0,0,0,0|1,0,1]=4 4254 B8R0.8 N#CNC[C@H](O)C(=O)O Amb35634507 [0,2,0,0,0,0|1,0,1]=4 4255 B8R0.8 N#CSCC(N)C(=O)O Amb17593655 [0,2,0,0,0,0|1,0,1]=4 4256 B8R0.8 NC(=O)C(N)C\C=C\Cl Amb27860856 [0,2,0,0,0,0|2,0,0]=4 4257 B8R0.8 NC(=O)C(O)CNC=O Amb27784034 [0,2,0,0,0,0|1,0,0]=3 4258 B8R0.8 NC(CCCBr)C(=O)O Amb24480263 [0,2,0,0,0,0|1,0,1]=4 4259 B8R0.8 NC(CCCF)C(=O)O Amb25366994 [0,2,0,0,0,0|1,0,1]=4 4260 B8R0.8 NC(CCCO)C(=O)O Amb18642915 [0,2,0,0,0,0|0,0,2]=4 4261 B8R0.8 NC(CCCO)C(=O)O Amb22900028 [0,2,0,0,0,0|0,0,2]=4 4262 B8R0.8 NC(CCCS)C(=O)O Amb27947968 [0,2,0,0,0,0|0,1,1]=4 4263 B8R0.8 NC(CCNO)C(=O)O Amb28285114 [0,2,0,0,0,0|0,0,2]=4 4264 B8R0.8 NC(CN=C=S)C(=O)O Amb28281778 [0,2,0,0,0,0|0,1,1]=4 4265 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [0,2,0,0,0,0|1,0,0]=3 4266 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [0,2,0,0,0,0|1,0,0]=3 4267 B8R0.8 NCCCC(Br)C(=O)O Amb17595166 [0,2,0,0,0,0|1,0,1]=4 4268 B8R0.8 NCCCC(F)C(=O)O Amb27235092 [0,2,0,0,0,0|1,0,1]=4 4269 B8R0.8 NCCCC(N)C(=O)O Amb22489477 [0,2,0,0,0,0|1,0,1]=4 4270 B8R0.8 NCCCC(N)C(=O)O Amb4006442 [0,2,0,0,0,0|1,0,1]=4 4271 B8R0.8 NCCCC(N)C(=O)O Amb9173756 [0,2,0,0,0,0|1,0,1]=4 4272 B8R0.8 NCCC[C@@H](N)C(=O)O Amb32411789 [0,2,0,0,0,0|1,0,1]=4 4273 B8R0.8 NCCC[C@@H](N)C(=O)O Amb6600152 [0,2,0,0,0,0|1,0,1]=4 4274 B8R0.8 NCCC[C@@H](N)C(=O)O Amb8390415 [0,2,0,0,0,0|1,0,1]=4 4275 B8R0.8 NCCC[C@H](N)C(=O)O Amb20240598 [0,2,0,0,0,0|1,0,1]=4 4276 B8R0.8 NCCC[C@H](N)C(=O)O Amb22746434 [0,2,0,0,0,0|1,0,1]=4 4277 B8R0.8 NCCC[C@H](N)C(=O)O Amb8513279 [0,2,0,0,0,0|1,0,1]=4 4278 B8R0.8 NCCC[C@H](N)C(=O)O Amb8627869 [0,2,0,0,0,0|1,0,1]=4 4279 B8R0.8 NCCC[C@H](O)C(=O)O Amb27804309 [0,2,0,0,0,0|1,0,1]=4 4280 B8R0.8 NCOCC(N)C(=O)O Amb27429950 [0,2,0,0,0,0|1,0,1]=4 4281 B8R0.8 NCOC[C@@H](N)C(=O)O Amb27233969 [0,2,0,0,0,0|1,0,1]=4 4282 B8R0.8 NC\C=C\[C@H](N)C(=O)O Amb24580033 [0,2,0,0,0,0|1,0,1]=4 4283 B8R0.8 NOCCC(N)C(=O)O Amb17593409 [0,2,0,0,0,0|0,0,2]=4 4284 B8R0.8 NOCCC(N)C(=O)O Amb21858490 [0,2,0,0,0,0|0,0,2]=4 4285 B8R0.8 NOCC[C@H](N)C(=O)O Amb26346874 [0,2,0,0,0,0|0,0,2]=4 4286 B8R0.8 NOCC[C@H](N)C(=O)O Amb33038084 [0,2,0,0,0,0|0,0,2]=4 4287 B8R0.8 N[C@@H](CCCCl)C(=O)O Amb27227989 [0,2,0,0,0,0|1,0,1]=4 4288 B8R0.8 N[C@@H](CCCF)C(=O)O Amb27223043 [0,2,0,0,0,0|1,0,1]=4 4289 B8R0.8 N[C@@H](CCCO)C(=O)O Amb16183887 [0,2,0,0,0,0|0,0,2]=4 4290 B8R0.8 N[C@@H](CCNO)C(=O)O Amb24117852 [0,2,0,0,0,0|0,0,2]=4 4291 B8R0.8 N[C@@H](CSCO)C(=O)O Amb27470985 [0,2,0,0,0,0|0,0,2]=4 4292 B8R0.8 N[C@@H](CSN=O)C(=O)O Amb28182982 [0,2,0,0,0,0|1,0,0]=3 4293 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [0,2,0,0,0,0|1,0,0]=3 4294 B8R0.8 N[C@H](CCCBr)C(=O)O Amb26080278 [0,2,0,0,0,0|1,0,1]=4 4295 B8R0.8 N[C@H](CCCF)C(=O)O Amb26908418 [0,2,0,0,0,0|1,0,1]=4 4296 B8R0.8 N[C@H](CCCO)C(=O)O Amb28120579 [0,2,0,0,0,0|0,0,2]=4 4297 B8R0.8 N[C@H](CCCO)C(=O)O Amb34913429 [0,2,0,0,0,0|0,0,2]=4 4298 B8R0.8 N[C@H](CSN=O)C(=O)O Amb27845439 [0,2,0,0,0,0|1,0,0]=3 4299 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [0,2,0,0,0,0|1,0,0]=3 4300 B8R0.8 O=C(O)C(=O)CCCF Amb33196459 [0,2,0,0,0,0|1,0,1]=4 4301 B8R0.8 O=C(O)C(=O)CCCO Amb27470301 [0,2,0,0,0,0|0,0,2]=4 4302 B8R0.8 O=C(O)C(=O)CCCO Amb30666618 [0,2,0,0,0,0|0,0,2]=4 4303 B8R0.8 O=C(O)C(Br)CCCCl Amb17595866 [0,2,0,0,0,0|1,0,1]=4 4304 B8R0.8 O=C(O)C(Br)CCCO Amb28313364 [0,2,0,0,0,0|0,0,2]=4 4305 B8R0.8 O=C(O)C(O)CC#CBr Amb27634839 [0,2,0,0,0,0|1,0,1]=4 4306 B8R0.8 O=C(O)C(O)CCCF Amb33196454 [0,2,0,0,0,0|1,0,1]=4 4307 B8R0.8 O=C(O)C(O)CCCO Amb18642939 [0,2,0,0,0,0|0,0,2]=4 4308 B8R0.8 O=C(O)[C@H](F)CN=C=S Amb33471626 [0,2,0,0,0,0|0,1,1]=4 4309 B8R0.8 O=C=NC[C@@H](F)C(=O)O Amb33037069 [0,2,0,0,0,0|0,0,1]=3 4310 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [0,2,0,0,0,0|0,0,0]=2 4311 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [0,2,0,0,0,0|0,0,0]=2 4312 B8R0.8 O=CNC[C@@H](O)C(=O)O Amb27637039 [0,2,0,0,0,0|0,0,0]=2 4313 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [0,2,0,0,0,0|0,0,0]=2 4314 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb28342834 [0,2,0,0,0,0|2,0,0]=4 4315 B8R0.8 [N-]=[N+]=NCC(N)C(=O)O Amb35752605 [0,2,0,0,0,0|2,0,0]=4 4316 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb26007532 [0,2,0,0,0,0|2,0,0]=4 4317 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O Amb33734276 [0,2,0,0,0,0|2,0,0]=4 4318 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb25072668 [0,2,0,0,0,0|2,0,0]=4 4319 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O Amb30586485 [0,2,0,0,0,0|2,0,0]=4 4320 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,2,0,0,0,0|0,0,2]=4 4321 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [0,2,0,0,0,0|1,0,0]=3 4322 B8R0.9 C#CC(=C)CCC(C)=O Amb27179805 [0,2,0,0,0,0|2,0,0]=4 4323 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,2,0,0,0,0|1,0,0]=3 4324 B8R0.9 C#CC(C)NCC(=O)O Amb27207997 [0,2,0,0,0,0|1,0,1]=4 4325 B8R0.9 C#CC(C)SCC(=O)O Amb27168265 [0,2,0,0,0,0|1,0,1]=4 4326 B8R0.9 C#CC(F)CCC(=O)O Amb28041990 [0,2,0,0,0,0|1,0,1]=4 4327 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [0,2,0,0,0,0|1,0,1]=4 4328 B8R0.9 C=C(Br)COC(=O)CO Amb27837568 [0,2,0,0,0,0|2,0,0]=4 4329 B8R0.9 C=C(C)CCC(=O)CN Amb27809573 [0,2,0,0,0,0|2,0,0]=4 4330 B8R0.9 C=C(C)CNC(=O)CO Amb27866006 [0,2,0,0,0,0|2,0,0]=4 4331 B8R0.9 C=C(C)CNC(=O)OC Amb27473324 [0,2,0,0,0,0|2,0,0]=4 4332 B8R0.9 C=C(C)COC(=O)CO Amb28280952 [0,2,0,0,0,0|2,0,0]=4 4333 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,2,0,0,0,0|0,0,0]=2 4334 B8R0.9 C=C(Cl)CNC(=O)CO Amb27857427 [0,2,0,0,0,0|2,0,0]=4 4335 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,2,0,0,0,0|1,0,0]=3 4336 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [0,2,0,0,0,0|2,0,0]=4 4337 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,2,0,0,0,0|1,0,0]=3 4338 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,2,0,0,0,0|1,0,0]=3 4339 B8R0.9 C=CC(=O)OCC(N)=O Amb27468552 [0,2,0,0,0,0|2,0,0]=4 4340 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,2,0,0,0,0|1,0,0]=3 4341 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [0,2,0,0,0,0|2,0,0]=4 4342 B8R0.9 C=CC(C)OCC(=O)O Amb18642764 [0,2,0,0,0,0|1,0,0]=3 4343 B8R0.9 C=CC(C)SCC(C)=O Amb27837610 [0,2,0,0,0,0|2,0,0]=4 4344 B8R0.9 C=CC(Cl)COC(C)=O Amb27860523 [0,2,0,0,0,0|2,0,0]=4 4345 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [0,2,0,0,0,0|1,0,0]=3 4346 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [0,2,0,0,0,0|1,0,0]=3 4347 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [0,2,0,0,0,0|1,0,0]=3 4348 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [0,2,0,0,0,0|1,0,0]=3 4349 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [0,2,0,0,0,0|1,0,0]=3 4350 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [0,2,0,0,0,0|1,0,0]=3 4351 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,2,0,0,0,0|1,0,1]=4 4352 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,2,0,0,0,0|1,0,0]=3 4353 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,2,0,0,0,0|0,0,0]=2 4354 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [0,2,0,0,0,0|1,0,0]=3 4355 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [0,2,0,0,0,0|1,0,1]=4 4356 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,2,0,0,0,0|1,0,1]=4 4357 B8R0.9 CC(=O)CCC(O)CF Amb28322193 [0,2,0,0,0,0|1,0,1]=4 4358 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [0,2,0,0,0,0|1,0,0]=3 4359 B8R0.9 CC(=O)CCN(C)N=O Amb28364300 [0,2,0,0,0,0|2,0,0]=4 4360 B8R0.9 CC(=O)CNC(=O)CCl Amb27880921 [0,2,0,0,0,0|2,0,0]=4 4361 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,2,0,0,0,0|2,0,0]=4 4362 B8R0.9 CC(=O)COC(=O)CN Amb27168864 [0,2,0,0,0,0|2,0,0]=4 4363 B8R0.9 CC(=O)NCC(=O)CN Amb35789045 [0,2,0,0,0,0|2,0,0]=4 4364 B8R0.9 CC(=O)NCC(=O)CN Amb35789904 [0,2,0,0,0,0|2,0,0]=4 4365 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [0,2,0,0,0,0|1,0,0]=3 4366 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,2,0,0,0,0|2,0,0]=4 4367 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,2,0,0,0,0|1,0,0]=3 4368 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [0,2,0,0,0,0|1,0,0]=3 4369 B8R0.9 CC(=O)NC\C(N)=N/O Amb19650814 [0,2,0,0,0,0|2,0,0]=4 4370 B8R0.9 CC(=O)NC\C(N)=N\O Amb21912454 [0,2,0,0,0,0|2,0,0]=4 4371 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,2,0,0,0,0|2,0,0]=4 4372 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,2,0,0,0,0|2,0,0]=4 4373 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [0,2,0,0,0,0|1,0,0]=3 4374 B8R0.9 CC(=O)OCC(=O)NN Amb27480937 [0,2,0,0,0,0|2,0,0]=4 4375 B8R0.9 CC(=O)OCN(C)C=O Amb28285201 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [0,2,0,0,0,0|1,0,0]=3 4377 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [0,2,0,0,0,0|1,0,0]=3 4378 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [0,2,0,0,0,0|1,0,1]=4 4379 B8R0.9 CC(C#N)NCC(=O)O Amb18293465 [0,2,0,0,0,0|1,0,1]=4 4380 B8R0.9 CC(C)=CCC(C)C=O Amb18642441 [0,2,0,0,0,0|2,0,0]=4 4381 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,2,0,0,0,0|1,0,1]=4 4382 B8R0.9 CC(C)CCC(=O)NO Amb6744847 [0,2,0,0,0,0|1,0,1]=4 4383 B8R0.9 CC(C=O)CC[N+](=O)[O-] Amb27985090 [0,2,0,0,0,0|1,0,1]=4 4384 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [0,2,0,0,0,0|0,0,2]=4 4385 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [0,2,0,0,0,0|1,0,1]=4 4386 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [0,2,0,0,0,0|1,0,1]=4 4387 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [0,2,0,0,0,0|1,0,1]=4 4388 B8R0.9 CC(CN)OCC(=O)O Amb18629591 [0,2,0,0,0,0|1,0,1]=4 4389 B8R0.9 CC(CN)SCC(=O)O Amb28142553 [0,2,0,0,0,0|1,0,1]=4 4390 B8R0.9 CC(N)CCC(=O)NO Amb27606094 [0,2,0,0,0,0|1,0,1]=4 4391 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,2,0,0,0,0|1,0,1]=4 4392 B8R0.9 CC(O)CCN(C)C=O Amb27485177 [0,2,0,0,0,0|1,0,1]=4 4393 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,2,0,0,0,0|2,0,0]=4 4394 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,2,0,0,0,0|0,0,0]=2 4395 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,2,0,0,0,0|1,0,0]=3 4396 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,2,0,0,0,0|2,0,0]=4 4397 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,2,0,0,0,0|2,0,0]=4 4398 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,2,0,0,0,0|1,0,0]=3 4399 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,2,0,0,0,0|2,0,0]=4 4400 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,2,0,0,0,0|2,0,0]=4 4401 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,2,0,0,0,0|2,0,0]=4 4402 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,2,0,0,0,0|0,0,2]=4 4403 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,2,0,0,0,0|0,0,2]=4 4404 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,2,0,0,0,0|1,0,1]=4 4405 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,2,0,0,0,0|1,0,1]=4 4406 B8R0.9 CCC(C)NCC(=O)O Amb7766416 [0,2,0,0,0,0|1,0,1]=4 4407 B8R0.9 CCC(C)NCC(=O)O Amb9184562 [0,2,0,0,0,0|1,0,1]=4 4408 B8R0.9 CCC(C)OCC(=O)O Amb18307944 [0,2,0,0,0,0|1,0,1]=4 4409 B8R0.9 CCC(C)SCC(=O)O Amb6680193 [0,2,0,0,0,0|1,0,1]=4 4410 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,2,0,0,0,0|1,0,1]=4 4411 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,2,0,0,0,0|1,0,1]=4 4412 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,2,0,0,0,0|1,0,1]=4 4413 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,2,0,0,0,0|0,0,2]=4 4414 B8R0.9 CCC(O)CCC(N)=O Amb27234638 [0,2,0,0,0,0|1,0,1]=4 4415 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,2,0,0,0,0|0,1,1]=4 4416 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,2,0,0,0,0|1,0,1]=4 4417 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,2,0,0,0,0|1,0,1]=4 4418 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,2,0,0,0,0|1,0,0]=3 4419 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,2,0,0,0,0|2,0,0]=4 4420 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,2,0,0,0,0|1,0,1]=4 4421 B8R0.9 CC[C@@H](O)CCC(N)=O Amb27254154 [0,2,0,0,0,0|1,0,1]=4 4422 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,2,0,0,0,0|0,0,2]=4 4423 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,2,0,0,0,0|1,0,1]=4 4424 B8R0.9 CN(C#N)CCC(=O)O Amb35634504 [0,2,0,0,0,0|1,0,1]=4 4425 B8R0.9 CN(C)CCC(=O)NO Amb27762089 [0,2,0,0,0,0|2,0,0]=4 4426 B8R0.9 CN(C=O)CCC(N)=S Amb27771196 [0,2,0,0,0,0|1,1,0]=4 4427 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [0,2,0,0,0,0|1,0,0]=3 4428 B8R0.9 CN(CCC(N)=O)N=O Amb27487572 [0,2,0,0,0,0|2,0,0]=4 4429 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,2,0,0,0,0|0,0,0]=2 4430 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [0,2,0,0,0,0|1,0,0]=3 4431 B8R0.9 CNC(=O)CCC(C)O Amb17334125 [0,2,0,0,0,0|1,0,1]=4 4432 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [0,2,0,0,0,0|1,0,0]=3 4433 B8R0.9 CNC(=O)CC[C@H](C)O Amb27799232 [0,2,0,0,0,0|1,0,1]=4 4434 B8R0.9 CNC(=O)CNC(C)=O Amb4034777 [0,2,0,0,0,0|2,0,0]=4 4435 B8R0.9 CNC(=O)COC(C)=O Amb26872495 [0,2,0,0,0,0|2,0,0]=4 4436 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,2,0,0,0,0|1,0,0]=3 4437 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,2,0,0,0,0|1,0,0]=3 4438 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,2,0,0,0,0|0,0,2]=4 4439 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,2,0,0,0,0|0,0,2]=4 4440 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,2,0,0,0,0|1,1,0]=4 4441 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,2,0,0,0,0|1,0,1]=4 4442 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,2,0,0,0,0|0,0,0]=2 4443 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,2,0,0,0,0|0,0,0]=2 4444 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,2,0,0,0,0|0,0,0]=2 4445 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,2,0,0,0,0|1,0,1]=4 4446 B8R0.9 COC(=O)CCC(C)C Amb9241809 [0,2,0,0,0,0|1,0,1]=4 4447 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,2,0,0,0,0|1,0,1]=4 4448 B8R0.9 COC(=O)CCC(C)I Amb27445524 [0,2,0,0,0,0|1,0,1]=4 4449 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,2,0,0,0,0|1,0,1]=4 4450 B8R0.9 COC(=O)CCC(C)N Amb35750839 [0,2,0,0,0,0|1,0,1]=4 4451 B8R0.9 COC(=O)CCC(C)O Amb26459430 [0,2,0,0,0,0|0,0,2]=4 4452 B8R0.9 COC(=O)CCC(C)S Amb28066829 [0,2,0,0,0,0|0,1,1]=4 4453 B8R0.9 COC(=O)CCC(C)[O-] Amb30988005 [0,2,0,0,0,0|0,0,2]=4 4454 B8R0.9 COC(=O)CCC(F)F Amb27770565 [0,2,0,0,0,0|1,0,1]=4 4455 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,2,0,0,0,0|0,0,0]=2 4456 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,2,0,0,0,0|0,1,0]=3 4457 B8R0.9 COC(=O)CCN(C)C Amb7757843 [0,2,0,0,0,0|2,0,0]=4 4458 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [0,2,0,0,0,0|1,0,0]=3 4459 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,2,0,0,0,0|1,0,0]=3 4460 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [0,2,0,0,0,0|1,0,0]=3 4461 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [0,2,0,0,0,0|1,0,0]=3 4462 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,2,0,0,0,0|1,0,1]=4 4463 B8R0.9 COC(=O)CC[C@H](C)N Amb27950697 [0,2,0,0,0,0|1,0,1]=4 4464 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [0,2,0,0,0,0|1,0,0]=3 4465 B8R0.9 COC(=O)CNC(=N)N Amb27259956 [0,2,0,0,0,0|2,0,0]=4 4466 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,2,0,0,0,0|1,0,0]=3 4467 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,2,0,0,0,0|1,0,0]=3 4468 B8R0.9 COC(=O)CNC(N)=S Amb9212124 [0,2,0,0,0,0|1,1,0]=4 4469 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,2,0,0,0,0|1,0,0]=3 4470 B8R0.9 COC(=O)CSC(=N)N Amb20676059 [0,2,0,0,0,0|2,0,0]=4 4471 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,2,0,0,0,0|1,0,0]=3 4472 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,2,0,0,0,0|1,0,0]=3 4473 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,2,0,0,0,0|1,0,0]=3 4474 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,2,0,0,0,0|1,0,0]=3 4475 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,2,0,0,0,0|2,0,0]=4 4476 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,2,0,0,0,0|1,0,0]=3 4477 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,2,0,0,0,0|1,0,0]=3 4478 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,2,0,0,0,0|0,0,2]=4 4479 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,2,0,0,0,0|0,0,2]=4 4480 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,2,0,0,0,0|0,0,2]=4 4481 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,2,0,0,0,0|0,0,2]=4 4482 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,2,0,0,0,0|1,0,1]=4 4483 B8R0.9 COC(=S)SCC(N)=O Amb28325528 [0,2,0,0,0,0|1,1,0]=4 4484 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,2,0,0,0,0|0,0,2]=4 4485 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,2,0,0,0,0|1,0,1]=4 4486 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,2,0,0,0,0|1,0,1]=4 4487 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,2,0,0,0,0|0,0,2]=4 4488 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,2,0,0,0,0|0,0,2]=4 4489 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,2,0,0,0,0|1,0,1]=4 4490 B8R0.9 CS(=O)CC\C(N)=N\O Amb27852254 [0,2,0,0,0,0|2,0,0]=4 4491 B8R0.9 CSC(=O)CCC(C)O Amb28065144 [0,2,0,0,0,0|1,0,1]=4 4492 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,2,0,0,0,0|0,1,1]=4 4493 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,2,0,0,0,0|1,0,1]=4 4494 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,2,0,0,0,0|0,0,1]=3 4495 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,2,0,0,0,0|2,0,0]=4 4496 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [0,2,0,0,0,0|1,0,1]=4 4497 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [0,2,0,0,0,0|1,0,1]=4 4498 B8R0.9 N=C(CCl)NCC(=O)O Amb28282661 [0,2,0,0,0,0|2,0,0]=4 4499 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [0,2,0,0,0,0|0,0,2]=4 4500 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [0,2,0,0,0,0|1,0,1]=4 4501 B8R0.9 NC(=O)CNC(=O)C=O Amb27236949 [0,2,0,0,0,0|1,0,1]=4 4502 B8R0.9 NC(=O)NC\C(N)=N\O Amb27487653 [0,2,0,0,0,0|2,0,0]=4 4503 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,2,0,0,0,0|2,0,0]=4 4504 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [0,2,0,0,0,0|1,0,1]=4 4505 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [0,2,0,0,0,0|1,0,1]=4 4506 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [0,2,0,0,0,0|1,0,1]=4 4507 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [0,2,0,0,0,0|0,0,2]=4 4508 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [0,2,0,0,0,0|0,0,2]=4 4509 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [0,2,0,0,0,0|0,1,1]=4 4510 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,2,0,0,0,0|0,0,0]=2 4511 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,2,0,0,0,0|0,0,0]=2 4512 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,2,0,0,0,0|1,0,0]=3 4513 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,2,0,0,0,0|1,0,0]=3 4514 B8R0.9 NCC(=O)OCC(N)=O Amb27829178 [0,2,0,0,0,0|2,0,0]=4 4515 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [0,2,0,0,0,0|1,0,1]=4 4516 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [0,2,0,0,0,0|1,0,1]=4 4517 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [0,2,0,0,0,0|0,0,2]=4 4518 B8R0.9 NCC(O)CCC(=O)[O-] Amb33330648 [0,2,0,0,0,0|1,0,1]=4 4519 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [0,2,0,0,0,0|0,0,2]=4 4520 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [0,2,0,0,0,0|1,0,1]=4 4521 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [0,2,0,0,0,0|1,0,0]=3 4522 B8R0.9 NNC(=O)CNC(N)=O Amb24477825 [0,2,0,0,0,0|2,0,0]=4 4523 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,2,0,0,0,0|1,0,0]=3 4524 B8R0.9 NNC(=O)NCC(N)=O Amb8854040 [0,2,0,0,0,0|2,0,0]=4 4525 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [0,2,0,0,0,0|0,1,1]=4 4526 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [0,2,0,0,0,0|1,0,1]=4 4527 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [0,2,0,0,0,0|0,0,2]=4 4528 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [0,2,0,0,0,0|0,0,2]=4 4529 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,2,0,0,0,0|0,0,0]=2 4530 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [0,2,0,0,0,0|0,0,2]=4 4531 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [0,2,0,0,0,0|0,1,1]=4 4532 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,2,0,0,0,0|0,0,1]=3 4533 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,2,0,0,0,0|1,0,0]=3 4534 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,2,0,0,0,0|1,0,0]=3 4535 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,2,0,0,0,0|1,0,0]=3 4536 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,2,0,0,0,0|1,0,0]=3 4537 B8R0.9 O=C(O)CS\C(Cl)=C\Cl Amb27858758 [0,2,0,0,0,0|1,0,1]=4 4538 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,2,0,0,0,0|0,0,2]=4 4539 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,2,0,0,0,0|0,0,0]=2 4540 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [0,2,0,0,0,0|1,0,0]=3 4541 B8R0.11 C=CCC\C(=C/F)CO Amb27807093 [0,2,0,0,0,0|2,0,0]=4 4542 B8R0.11 CCC(CCC=O)OC Amb33224235 [0,2,0,0,0,0|1,0,1]=4 4543 B8R0.11 CCCC\C(C=O)=C/O Amb27789093 [0,2,0,0,0,0|1,0,1]=4 4544 B8R0.11 COC(C=O)OCC=O Amb28239480 [0,2,0,0,0,0|1,0,1]=4 4545 B8R0.11 COC(CCC=O)OC Amb22235540 [0,2,0,0,0,0|0,0,2]=4 4546 B8R0.11 C\C=C(\CC)CCC=O Amb27818045 [0,2,0,0,0,0|2,0,0]=4 4547 B8R0.11 O=CNC[C@@H](C=O)CO Amb27952044 [0,2,0,0,0,0|1,0,1]=4 4548 B8R0.25 CC(C)(CO)CCC=O Amb27963349 [0,2,0,0,0,0|1,0,1]=4 4549 B8R0.25 CC(O)(C=O)CCC=O Amb27238412 [0,2,0,0,0,0|0,0,1]=3 4550 B8R0.25 COC(C)(C)CCC=O Amb27179813 [0,2,0,0,0,0|1,0,1]=4 4551 B8R0.7 C#CCCCCC(=O)O Amb2721485 [0,2,0,0,0,0|1,0,1]=4 4552 B8R0.7 C#CCCOCC(=O)O Amb28118359 [0,2,0,0,0,0|1,0,1]=4 4553 B8R0.7 C#CCOCCC(=O)O Amb9208654 [0,2,0,0,0,0|1,0,1]=4 4554 B8R0.7 C#C\C=C\CCC(=O)O Amb10605297 [0,2,0,0,0,0|1,0,0]=3 4555 B8R0.7 C#C\C=C\CCC(C)=O Amb24633380 [0,2,0,0,0,0|2,0,0]=4 4556 B8R0.7 C=C(Br)CCCCC=O Amb28200066 [0,2,0,0,0,0|2,0,0]=4 4557 B8R0.7 C=C(C)CCCCC=O Amb27750320 [0,2,0,0,0,0|2,0,0]=4 4558 B8R0.7 C=C(C)CC\C=C\C=O Amb18642228 [0,2,0,0,0,0|2,0,0]=4 4559 B8R0.7 C=CC#CCCC(=O)O Amb28422492 [0,2,0,0,0,0|1,0,0]=3 4560 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [0,2,0,0,0,0|1,0,1]=4 4561 B8R0.7 C=CCCC#CC(=O)O Amb28201250 [0,2,0,0,0,0|1,0,0]=3 4562 B8R0.7 C=CCCCCC(=O)O Amb6299578 [0,2,0,0,0,0|1,0,0]=3 4563 B8R0.7 C=CCCCCC(C)=O Amb24546961 [0,2,0,0,0,0|2,0,0]=4 4564 B8R0.7 C=CCCCCC(N)=O Amb27236725 [0,2,0,0,0,0|2,0,0]=4 4565 B8R0.7 C=CCCCOC(C)=O Amb6366589 [0,2,0,0,0,0|2,0,0]=4 4566 B8R0.7 C=CCCNCC(N)=O Amb33545653 [0,2,0,0,0,0|2,0,0]=4 4567 B8R0.7 C=CCCOCC(=O)O Amb7793843 [0,2,0,0,0,0|1,0,0]=3 4568 B8R0.7 C=CCCOCC(C)=O Amb27465238 [0,2,0,0,0,0|2,0,0]=4 4569 B8R0.7 C=CCCSCC(=O)O Amb27810806 [0,2,0,0,0,0|1,0,0]=3 4570 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [0,2,0,0,0,0|1,0,0]=3 4571 B8R0.7 C=CCNCCC(=O)O Amb33527032 [0,2,0,0,0,0|1,0,0]=3 4572 B8R0.7 C=CCNCCC(=O)O Amb7755724 [0,2,0,0,0,0|1,0,0]=3 4573 B8R0.7 C=CCNCCC(N)=O Amb8841114 [0,2,0,0,0,0|2,0,0]=4 4574 B8R0.7 C=CCOCCC(N)=O Amb27844989 [0,2,0,0,0,0|2,0,0]=4 4575 B8R0.7 C=CCONCC(N)=O Amb27424379 [0,2,0,0,0,0|2,0,0]=4 4576 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [0,2,0,0,0,0|1,0,0]=3 4577 B8R0.7 C=COCCSC(C)=O Amb35788457 [0,2,0,0,0,0|2,0,0]=4 4578 B8R0.7 C=CSCCOC(N)=O Amb28282683 [0,2,0,0,0,0|2,0,0]=4 4579 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [0,2,0,0,0,0|1,0,0]=3 4580 B8R0.7 CC#CCCCC(=O)O Amb28046337 [0,2,0,0,0,0|1,0,1]=4 4581 B8R0.7 CC#CCNCC(=O)O Amb28410306 [0,2,0,0,0,0|1,0,1]=4 4582 B8R0.7 CC(=O)CCCOC=O Amb1033032 [0,2,0,0,0,0|1,0,0]=3 4583 B8R0.7 CC(=O)CCC\C=C\Cl Amb26336040 [0,2,0,0,0,0|2,0,0]=4 4584 B8R0.7 CC(=O)CC\C=C/CO Amb27828969 [0,2,0,0,0,0|1,0,1]=4 4585 B8R0.7 CC(=O)CC\C=C\C#N Amb18642112 [0,2,0,0,0,0|2,0,0]=4 4586 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [0,2,0,0,0,0|1,0,0]=3 4587 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [0,2,0,0,0,0|1,0,1]=4 4588 B8R0.7 CC(=O)NCCSN=O Amb27423715 [0,2,0,0,0,0|2,0,0]=4 4589 B8R0.7 CC(=O)OCC#CC=O Amb28401397 [0,2,0,0,0,0|1,0,1]=4 4590 B8R0.7 CC(=O)OCCN=C=O Amb25779227 [0,2,0,0,0,0|1,0,1]=4 4591 B8R0.7 CC(=O)OCCNC=O Amb27212825 [0,2,0,0,0,0|1,0,0]=3 4592 B8R0.7 CC(=O)SCCCC=O Amb22524698 [0,2,0,0,0,0|1,0,0]=3 4593 B8R0.7 CC(C)=CCOCC=O Amb27643571 [0,2,0,0,0,0|2,0,0]=4 4594 B8R0.7 CC(C)=COCCC=O Amb18642665 [0,2,0,0,0,0|2,0,0]=4 4595 B8R0.7 CC(O)CCCNC=O Amb28318284 [0,2,0,0,0,0|1,0,1]=4 4596 B8R0.7 CC(O)CCCOC=O Amb27946413 [0,2,0,0,0,0|1,0,1]=4 4597 B8R0.7 CC(O)\C=C\CCC=O Amb28134828 [0,2,0,0,0,0|1,0,1]=4 4598 B8R0.7 CC=C=CCCC(C)=O Amb27180942 [0,2,0,0,0,0|2,0,0]=4 4599 B8R0.7 CCC#CCCC(=O)O Amb28046178 [0,2,0,0,0,0|1,0,1]=4 4600 B8R0.7 CCCC#CCC(=O)O Amb17593307 [0,2,0,0,0,0|1,0,1]=4 4601 B8R0.7 CCCCC#CC(=O)O Amb2721486 [0,2,0,0,0,0|1,0,1]=4 4602 B8R0.7 CCCCCCC(=O)O Amb34915914 [0,2,0,0,0,0|1,0,1]=4 4603 B8R0.7 CCCCCCC(=O)O Amb3499439 [0,2,0,0,0,0|1,0,1]=4 4604 B8R0.7 CCCCNCC(=O)O Amb7766471 [0,2,0,0,0,0|1,0,1]=4 4605 B8R0.7 CCCCOCC(=O)O Amb8514871 [0,2,0,0,0,0|1,0,1]=4 4606 B8R0.7 CCCCSCC(=O)O Amb1138789 [0,2,0,0,0,0|1,0,1]=4 4607 B8R0.7 CCCC\C=C\C(=O)O Amb17778752 [0,2,0,0,0,0|1,0,1]=4 4608 B8R0.7 CCCNCCC(=O)O Amb18633174 [0,2,0,0,0,0|1,0,1]=4 4609 B8R0.7 CCCNCCC(=O)O Amb2372065 [0,2,0,0,0,0|1,0,1]=4 4610 B8R0.7 CCCOCCC(=O)O Amb8874502 [0,2,0,0,0,0|1,0,1]=4 4611 B8R0.7 CCCONCC(=O)O Amb27401902 [0,2,0,0,0,0|1,0,1]=4 4612 B8R0.7 CCC\C=C\CC(=O)O Amb18642602 [0,2,0,0,0,0|1,0,1]=4 4613 B8R0.7 CCNCCCC(=O)O Amb30585148 [0,2,0,0,0,0|1,0,1]=4 4614 B8R0.7 CCNCCCC(=O)O Amb6253896 [0,2,0,0,0,0|1,0,1]=4 4615 B8R0.7 CCOCCCC(=O)O Amb6257602 [0,2,0,0,0,0|0,0,2]=4 4616 B8R0.7 CCO\C=N\CC(=O)O Amb27440832 [0,2,0,0,0,0|1,0,1]=4 4617 B8R0.7 CCSCCCC(=O)O Amb6680204 [0,2,0,0,0,0|0,1,1]=4 4618 B8R0.7 CCSSCCC(=O)O Amb27837279 [0,2,0,0,0,0|1,0,1]=4 4619 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [0,2,0,0,0,0|1,0,0]=3 4620 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.7 CC\C=C\CCC(C)=O Amb24523649 [0,2,0,0,0,0|2,0,0]=4 4622 B8R0.7 CC\C=C\CCC(N)=O Amb27221048 [0,2,0,0,0,0|2,0,0]=4 4623 B8R0.7 CNCCCCC(=O)O Amb10605773 [0,2,0,0,0,0|1,0,1]=4 4624 B8R0.7 CNCCCCC(=O)O Amb24340485 [0,2,0,0,0,0|1,0,1]=4 4625 B8R0.7 CNCCOCC(=O)O Amb18630741 [0,2,0,0,0,0|1,0,1]=4 4626 B8R0.7 COCC#CCC(=O)O Amb27663198 [0,2,0,0,0,0|2,0,0]=4 4627 B8R0.7 COCCC#CC(=O)O Amb27392974 [0,2,0,0,0,0|2,0,0]=4 4628 B8R0.7 COCCCCC(=O)O Amb9207785 [0,2,0,0,0,0|0,0,2]=4 4629 B8R0.7 COCCNCC(=O)O Amb19514667 [0,2,0,0,0,0|0,0,2]=4 4630 B8R0.7 COCCNCC(=O)O Amb7766415 [0,2,0,0,0,0|0,0,2]=4 4631 B8R0.7 COCCOCC(=O)O Amb2721259 [0,2,0,0,0,0|0,0,2]=4 4632 B8R0.7 COCCSCC(=O)O Amb6245777 [0,2,0,0,0,0|0,0,2]=4 4633 B8R0.7 COCC\C=C\C(=O)O Amb33080389 [0,2,0,0,0,0|2,0,0]=4 4634 B8R0.7 COCOCCC(=O)O Amb27784860 [0,2,0,0,0,0|0,0,2]=4 4635 B8R0.7 COCSCCC(=O)O Amb27263382 [0,2,0,0,0,0|0,0,2]=4 4636 B8R0.7 CS(=O)CCCCC=O Amb27856287 [0,2,0,0,0,0|2,0,0]=4 4637 B8R0.7 CSCCCCC(=O)O Amb17503764 [0,2,0,0,0,0|0,1,1]=4 4638 B8R0.7 CSCCNCC(=O)O Amb24401934 [0,2,0,0,0,0|0,1,1]=4 4639 B8R0.7 CSCCNCC(=O)O Amb28934977 [0,2,0,0,0,0|0,1,1]=4 4640 B8R0.7 CSCCOCC(=O)O Amb27392229 [0,2,0,0,0,0|0,1,1]=4 4641 B8R0.7 CSCCSCC(=O)O Amb27964765 [0,2,0,0,0,0|0,1,1]=4 4642 B8R0.7 CSCC\C=C\C(=O)O Amb33475293 [0,2,0,0,0,0|2,0,0]=4 4643 B8R0.7 CSC\C=C\CC(=O)O Amb28072070 [0,2,0,0,0,0|0,1,1]=4 4644 B8R0.7 CSSCCCC(=O)O Amb25269470 [0,2,0,0,0,0|0,1,1]=4 4645 B8R0.7 C[C@H](O)CCCCC=O Amb27793108 [0,2,0,0,0,0|1,0,1]=4 4646 B8R0.7 C\C(Cl)=C\CCCC=O Amb27252215 [0,2,0,0,0,0|2,0,0]=4 4647 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [0,2,0,0,0,0|1,0,1]=4 4648 B8R0.7 C\C=C\CC#CC(=O)O Amb24599409 [0,2,0,0,0,0|1,0,1]=4 4649 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [0,2,0,0,0,0|1,0,0]=3 4650 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [0,2,0,0,0,0|2,0,0]=4 4651 B8R0.7 C\C=C\CCNC(N)=O Amb27845871 [0,2,0,0,0,0|2,0,0]=4 4652 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [0,2,0,0,0,0|1,0,0]=3 4653 B8R0.7 C\C=C\C\C=C\C(=O)O Amb27440048 [0,2,0,0,0,0|1,0,1]=4 4654 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [0,2,0,0,0,0|2,0,0]=4 4655 B8R0.7 N#CCCCCC(=O)O Amb17593332 [0,2,0,0,0,0|1,0,1]=4 4656 B8R0.7 N#CCCNCC(=O)O Amb2720474 [0,2,0,0,0,0|1,0,1]=4 4657 B8R0.7 N#CCCSCC(=O)O Amb17502363 [0,2,0,0,0,0|1,0,1]=4 4658 B8R0.7 N#CCSCCC(=O)O Amb6277440 [0,2,0,0,0,0|1,0,1]=4 4659 B8R0.7 N#CC\C=C\CC(=O)O Amb27762977 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.7 N#C\C=C\CCC(=O)O Amb27785050 [0,2,0,0,0,0|1,0,0]=3 4661 B8R0.7 N=C(N)SCCOC=O Amb27468616 [0,2,0,0,0,0|2,0,0]=4 4662 B8R0.7 NCCCC#CC(=O)O Amb33168806 [0,2,0,0,0,0|1,0,1]=4 4663 B8R0.7 NCCCCCC(=O)O Amb17607928 [0,2,0,0,0,0|1,0,1]=4 4664 B8R0.7 NCCCCCC(=O)O Amb1905625 [0,2,0,0,0,0|1,0,1]=4 4665 B8R0.7 NCCCOCC(=O)O Amb18111435 [0,2,0,0,0,0|1,0,1]=4 4666 B8R0.7 NCCCOCC(=O)O Amb31217489 [0,2,0,0,0,0|1,0,1]=4 4667 B8R0.7 NCCCSCC(=O)O Amb17500676 [0,2,0,0,0,0|1,0,1]=4 4668 B8R0.7 NCCC\C=C\C(=O)O Amb25221789 [0,2,0,0,0,0|1,0,1]=4 4669 B8R0.7 NCCNCCC(=O)O Amb20668304 [0,2,0,0,0,0|1,0,1]=4 4670 B8R0.7 NCCNCCC(=O)O Amb22058790 [0,2,0,0,0,0|1,0,1]=4 4671 B8R0.7 NCCOCCC(=O)O Amb18630461 [0,2,0,0,0,0|1,0,1]=4 4672 B8R0.7 NCCOCCC(=O)O Amb33330744 [0,2,0,0,0,0|1,0,1]=4 4673 B8R0.7 NCCSCCC(=O)O Amb21988844 [0,2,0,0,0,0|1,0,1]=4 4674 B8R0.7 NCCSSCC(=O)O Amb27658690 [0,2,0,0,0,0|1,0,1]=4 4675 B8R0.7 NOCCCCC(=O)O Amb27596055 [0,2,0,0,0,0|0,0,2]=4 4676 B8R0.7 O=C(O)CCC#CCO Amb27949900 [0,2,0,0,0,0|0,0,2]=4 4677 B8R0.7 O=C(O)CCCCCBr Amb2081955 [0,2,0,0,0,0|1,0,1]=4 4678 B8R0.7 O=C(O)CCCCCCl Amb18796646 [0,2,0,0,0,0|1,0,1]=4 4679 B8R0.7 O=C(O)CCCCCF Amb26063796 [0,2,0,0,0,0|1,0,1]=4 4680 B8R0.7 O=C(O)CCCCCI Amb22736492 [0,2,0,0,0,0|1,0,1]=4 4681 B8R0.7 O=C(O)CCCCCO Amb8515991 [0,2,0,0,0,0|0,0,2]=4 4682 B8R0.7 O=C(O)CCCCNO Amb28410171 [0,2,0,0,0,0|0,0,2]=4 4683 B8R0.7 O=C(O)CCCN=C=S Amb26330552 [0,2,0,0,0,0|0,1,1]=4 4684 B8R0.7 O=C(O)CCNCCF Amb27954272 [0,2,0,0,0,0|1,0,1]=4 4685 B8R0.7 O=C(O)CCNCCO Amb1110010 [0,2,0,0,0,0|0,0,2]=4 4686 B8R0.7 O=C(O)CCNCCS Amb28285239 [0,2,0,0,0,0|0,1,1]=4 4687 B8R0.7 O=C(O)CCOCCBr Amb24057757 [0,2,0,0,0,0|1,0,1]=4 4688 B8R0.7 O=C(O)CCOCCF Amb27807548 [0,2,0,0,0,0|1,0,1]=4 4689 B8R0.7 O=C(O)CCOCCO Amb6680916 [0,2,0,0,0,0|0,0,2]=4 4690 B8R0.7 O=C(O)CCOCCS Amb27226892 [0,2,0,0,0,0|0,1,1]=4 4691 B8R0.7 O=C(O)CCSCCBr Amb27468126 [0,2,0,0,0,0|1,0,1]=4 4692 B8R0.7 O=C(O)CCSCCF Amb27172860 [0,2,0,0,0,0|1,0,1]=4 4693 B8R0.7 O=C(O)CCSCCS Amb18126456 [0,2,0,0,0,0|0,1,1]=4 4694 B8R0.7 O=C(O)CNCCCCl Amb28055692 [0,2,0,0,0,0|1,0,1]=4 4695 B8R0.7 O=C(O)CNCCCF Amb27649256 [0,2,0,0,0,0|1,0,1]=4 4696 B8R0.7 O=C(O)CNCCCO Amb9325805 [0,2,0,0,0,0|0,0,2]=4 4697 B8R0.7 O=C(O)COCCCO Amb28288633 [0,2,0,0,0,0|0,0,2]=4 4698 B8R0.7 O=C(O)COC\C=C\Cl Amb27450817 [0,2,0,0,0,0|1,0,0]=3 4699 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [0,2,0,0,0,0|0,0,2]=4 4700 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [0,2,0,0,0,0|0,0,2]=4 4701 B8R0.7 O=C(O)C\C=C\CCS Amb27421360 [0,2,0,0,0,0|0,1,1]=4 4702 B8R0.7 O=C(O)\C=C\CCCCl Amb18644386 [0,2,0,0,0,0|1,0,1]=4 4703 B8R0.7 O=C=NCCCC(=O)O Amb26014000 [0,2,0,0,0,0|0,0,1]=3 4704 B8R0.7 O=CCCCC=C(Cl)Cl Amb27870361 [0,2,0,0,0,0|2,0,0]=4 4705 B8R0.7 O=CCCCCC(=O)O Amb18642763 [0,2,0,0,0,0|0,0,0]=2 4706 B8R0.7 O=CCCCCC(O)O Amb28285175 [0,2,0,0,0,0|0,0,2]=4 4707 B8R0.7 O=CCCCO[N+](=O)[O-] Amb27864566 [0,2,0,0,0,0|1,0,1]=4 4708 B8R0.7 O=CCC\C=C\B(O)O Amb24378985 [0,2,0,0,0,0|1,0,1]=4 4709 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [0,2,0,0,0,0|0,0,0]=2 4710 B8R0.7 O=CNCCCC(=O)O Amb18305404 [0,2,0,0,0,0|0,0,0]=2 4711 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [0,2,0,0,0,0|0,0,1]=3 4712 B8R0.7 O=COCCCC(=O)O Amb27217713 [0,2,0,0,0,0|0,0,0]=2 4713 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [0,2,0,0,0,0|0,0,2]=4 4714 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [0,2,0,0,0,0|0,0,0]=2 4715 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [0,2,0,0,0,0|1,0,1]=4 4716 B8R0.21 C=CCNCP(C)(=O)O Amb4300779 [0,2,0,0,0,0|2,0,0]=4 4717 B8R0.21 C=CCNCS(=O)(=O)O Amb28285132 [0,2,0,0,0,0|2,0,0]=4 4718 B8R0.21 CS(=O)(=O)CCCC=O Amb18181110 [0,2,0,0,0,0|1,0,1]=4 4719 B8R0.21 CS(=O)(=O)NCCC=O Amb17102226 [0,2,0,0,0,0|1,0,1]=4 4720 B8R0.21 O=CCCCP(=O)(O)O Amb28143994 [0,2,0,0,0,0|1,0,0]=3 4721 B8R0.21 O=CCCOP(=O)(O)O Amb27794767 [0,2,0,0,0,0|1,0,0]=3 4722 B8R0.21 O=CNCCS(=O)(=O)[O-] Amb28051728 [0,2,0,0,0,0|1,0,1]=4 4723 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,2,0,0,0,0|1,0,0]=3 4724 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [0,2,0,0,0,0|2,0,0]=4 4725 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [0,2,0,0,0,0|2,0,0]=4 4726 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [0,2,0,0,0,0|2,0,0]=4 4727 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [0,2,0,0,0,0|2,0,0]=4 4728 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,2,0,0,0,0|1,0,0]=3 4729 B8R0.28 C=C(C)CSCC(C)=O Amb27877304 [0,2,0,0,0,0|2,0,0]=4 4730 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,2,0,0,0,0|1,0,1]=4 4731 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,2,0,0,0,0|1,0,1]=4 4732 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [0,2,0,0,0,0|2,0,0]=4 4733 B8R0.28 C=C(Cl)CSCC(C)=O Amb28205790 [0,2,0,0,0,0|2,0,0]=4 4734 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,2,0,0,0,0|1,0,0]=3 4735 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [0,2,0,0,0,0|2,0,0]=4 4736 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [0,2,0,0,0,0|2,0,0]=4 4737 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,2,0,0,0,0|0,0,0]=2 4738 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,2,0,0,0,0|1,0,0]=3 4739 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,2,0,0,0,0|1,0,0]=3 4740 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [0,2,0,0,0,0|1,0,1]=4 4741 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [0,2,0,0,0,0|1,0,0]=3 4742 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [0,2,0,0,0,0|1,0,0]=3 4743 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [0,2,0,0,0,0|2,0,0]=4 4744 B8R0.28 CC(=O)CNCC(C)O Amb24589662 [0,2,0,0,0,0|1,0,1]=4 4745 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,2,0,0,0,0|0,0,0]=2 4746 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,2,0,0,0,0|0,0,1]=3 4747 B8R0.28 CC(=O)CSCC(C)O Amb27215204 [0,2,0,0,0,0|1,0,1]=4 4748 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,2,0,0,0,0|1,0,0]=3 4749 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,2,0,0,0,0|0,0,0]=2 4750 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [0,2,0,0,0,0|1,0,0]=3 4751 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [0,2,0,0,0,0|1,1,0]=4 4752 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [0,2,0,0,0,0|1,0,0]=3 4753 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [0,2,0,0,0,0|2,0,0]=4 4754 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [0,2,0,0,0,0|2,0,0]=4 4755 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,2,0,0,0,0|1,0,0]=3 4756 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,2,0,0,0,0|0,0,0]=2 4757 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [0,2,0,0,0,0|1,0,1]=4 4758 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [0,2,0,0,0,0|1,0,0]=3 4759 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [0,2,0,0,0,0|2,0,0]=4 4760 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [0,2,0,0,0,0|1,0,1]=4 4761 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [0,2,0,0,0,0|2,0,0]=4 4762 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [0,2,0,0,0,0|1,0,1]=4 4763 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [0,2,0,0,0,0|2,0,0]=4 4764 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [0,2,0,0,0,0|2,0,0]=4 4765 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,2,0,0,0,0|1,0,1]=4 4766 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,2,0,0,0,0|1,0,0]=3 4767 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,2,0,0,0,0|0,0,0]=2 4768 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,2,0,0,0,0|0,0,2]=4 4769 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,2,0,0,0,0|0,0,1]=3 4770 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,2,0,0,0,0|1,0,0]=3 4771 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [0,2,0,0,0,0|2,0,0]=4 4772 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [0,2,0,0,0,0|1,0,1]=4 4773 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [0,2,0,0,0,0|1,0,1]=4 4774 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [0,2,0,0,0,0|1,0,1]=4 4775 B8R0.28 CC(C)COCC(=O)O Amb2608476 [0,2,0,0,0,0|1,0,1]=4 4776 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [0,2,0,0,0,0|1,0,1]=4 4777 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [0,2,0,0,0,0|1,0,1]=4 4778 B8R0.28 CC(C)NCCC(=O)O Amb528114 [0,2,0,0,0,0|1,0,1]=4 4779 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [0,2,0,0,0,0|1,0,1]=4 4780 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [0,2,0,0,0,0|1,0,1]=4 4781 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,2,0,0,0,0|1,0,1]=4 4782 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [0,2,0,0,0,0|1,0,1]=4 4783 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [0,2,0,0,0,0|1,0,1]=4 4784 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [0,2,0,0,0,0|1,0,1]=4 4785 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [0,2,0,0,0,0|1,0,1]=4 4786 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,2,0,0,0,0|0,0,2]=4 4787 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [0,2,0,0,0,0|1,0,1]=4 4788 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,2,0,0,0,0|0,0,2]=4 4789 B8R0.28 CC(O)CNCC(=O)[O-] Amb35789181 [0,2,0,0,0,0|1,0,1]=4 4790 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,2,0,0,0,0|0,0,2]=4 4791 B8R0.28 CC(O)COCC(N)=O Amb27216633 [0,2,0,0,0,0|1,0,1]=4 4792 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,2,0,0,0,0|0,0,2]=4 4793 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [0,2,0,0,0,0|1,0,1]=4 4794 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [0,2,0,0,0,0|1,0,1]=4 4795 B8R0.28 CS(=O)CCNC(=O)Cl Amb35633190 [0,2,0,0,0,0|2,0,0]=4 4796 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,2,0,0,0,0|1,0,1]=4 4797 B8R0.28 C[C@H](O)CNCC(N)=O Amb27879357 [0,2,0,0,0,0|1,0,1]=4 4798 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [0,2,0,0,0,0|1,0,1]=4 4799 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,2,0,0,0,0|1,0,0]=3 4800 B8R0.28 N=C(N)CSCC(N)=O Amb23313355 [0,2,0,0,0,0|2,0,0]=4 4801 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [0,2,0,0,0,0|1,0,0]=3 4802 B8R0.28 N=C(N)NCCC(N)=O Amb27215299 [0,2,0,0,0,0|2,0,0]=4 4803 B8R0.28 N=C(N)NCCS(=O)O Amb25103204 [0,2,0,0,0,0|2,0,0]=4 4804 B8R0.28 N=C(N)NNCC(=O)O Amb27394477 [0,2,0,0,0,0|2,0,0]=4 4805 B8R0.28 N=C(N)NOCC(=O)O Amb27165927 [0,2,0,0,0,0|2,0,0]=4 4806 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,2,0,0,0,0|1,0,0]=3 4807 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,2,0,0,0,0|0,0,0]=2 4808 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [0,2,0,0,0,0|1,0,1]=4 4809 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,2,0,0,0,0|1,0,0]=3 4810 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,2,0,0,0,0|1,0,0]=3 4811 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,2,0,0,0,0|0,0,0]=2 4812 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,2,0,0,0,0|1,0,0]=3 4813 B8R0.28 NC(=O)CONC(N)=O Amb27172154 [0,2,0,0,0,0|2,0,0]=4 4814 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,2,0,0,0,0|0,0,0]=2 4815 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,2,0,0,0,0|1,0,0]=3 4816 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,2,0,0,0,0|0,0,0]=2 4817 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,2,0,0,0,0|1,0,0]=3 4818 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,2,0,0,0,0|0,0,2]=4 4819 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,2,0,0,0,0|0,0,2]=4 4820 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,2,0,0,0,0|1,0,1]=4 4821 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,2,0,0,0,0|0,0,0]=2 4822 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,2,0,0,0,0|0,1,0]=3 4823 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [0,2,0,0,0,0|0,1,0]=3 4824 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,2,0,0,0,0|0,1,0]=3 4825 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,2,0,0,0,0|1,0,0]=3 4826 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,2,0,0,0,0|1,0,0]=3 4827 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,2,0,0,0,0|0,0,2]=4 4828 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,2,0,0,0,0|0,0,0]=2 4829 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [0,2,0,0,0,0|1,0,1]=4 4830 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [0,2,0,0,0,0|1,0,1]=4 4831 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,2,0,0,0,0|0,0,1]=3 4832 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [0,2,0,0,0,0|1,0,0]=3 4833 B8R0.28 O=C(O)CCSC(F)F Amb8840854 [0,2,0,0,0,0|1,0,1]=4 4834 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,2,0,0,0,0|0,0,0]=2 4835 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,2,0,0,0,0|0,0,0]=2 4836 B8R0.28 O=C(O)COCC(F)F Amb27218102 [0,2,0,0,0,0|1,0,1]=4 4837 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,2,0,0,0,0|0,0,0]=2 4838 B8R0.28 O=C(O)CSCC(F)F Amb18791606 [0,2,0,0,0,0|1,0,1]=4 4839 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,2,0,0,0,0|0,0,1]=3 4840 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,2,0,0,0,0|0,0,1]=3 4841 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,2,0,0,0,0|0,0,0]=2 4842 B8R0.12 C#CCC(C)(C)C(=O)O Amb18636154 [0,2,0,0,0,0|1,0,1]=4 4843 B8R0.12 C#CC[C@](C)(N)C(=O)O Amb16183909 [0,2,0,0,0,0|1,0,1]=4 4844 B8R0.12 C=C(C)C(C)(O)CC=O Amb27754858 [0,2,0,0,0,0|2,0,0]=4 4845 B8R0.12 C=CCC(C)(C)C(=O)O Amb10603495 [0,2,0,0,0,0|1,0,0]=3 4846 B8R0.12 C=CCC(C)(C)C(C)=O Amb25762422 [0,2,0,0,0,0|2,0,0]=4 4847 B8R0.12 C=CCC(C)(N)[PH](=O)O Amb27595680 [0,2,0,0,0,0|2,0,0]=4 4848 B8R0.12 C=CCC(Cl)(Cl)C(C)=O Amb28201246 [0,2,0,0,0,0|2,0,0]=4 4849 B8R0.12 C=CCC(F)(F)C(=O)O Amb10982503 [0,2,0,0,0,0|1,0,0]=3 4850 B8R0.12 C=CC[C@@](C)(N)C(=O)O Amb8389450 [0,2,0,0,0,0|1,0,0]=3 4851 B8R0.12 C=CC[C@@](C)(N)C(N)=O Amb27851367 [0,2,0,0,0,0|2,0,0]=4 4852 B8R0.12 C=CC[C@@](C)(O)C(=O)O Amb27412350 [0,2,0,0,0,0|1,0,0]=3 4853 B8R0.12 C=CC[C@@](C)(O)C(C)=O Amb28053999 [0,2,0,0,0,0|2,0,0]=4 4854 B8R0.12 C=CC[C@](C)(N)C(=O)O Amb8514992 [0,2,0,0,0,0|1,0,0]=3 4855 B8R0.12 C=CC[C@](C)(O)C(=O)O Amb27958223 [0,2,0,0,0,0|1,0,0]=3 4856 B8R0.12 CC(C)(CC#N)C(=O)O Amb33545085 [0,2,0,0,0,0|1,0,1]=4 4857 B8R0.12 CC(C)(CC=O)C(N)=O Amb28437049 [0,2,0,0,0,0|1,0,0]=3 4858 B8R0.12 CC(C)(CCCl)C(=O)O Amb27953901 [0,2,0,0,0,0|1,0,1]=4 4859 B8R0.12 CC(C)(CCF)C(=O)O Amb27838513 [0,2,0,0,0,0|1,0,1]=4 4860 B8R0.12 CC(C)(CCN)C(=O)O Amb2694929 [0,2,0,0,0,0|1,0,1]=4 4861 B8R0.12 CC(C)(CCN)C(=O)O Amb8630069 [0,2,0,0,0,0|1,0,1]=4 4862 B8R0.12 CC(C)(CCO)C(=O)O Amb24763728 [0,2,0,0,0,0|0,0,2]=4 4863 B8R0.12 CC(C)(N=C=O)C(=O)O Amb24481889 [0,2,0,0,0,0|1,0,1]=4 4864 B8R0.12 CC(C)(NC=O)C(=O)O Amb18281022 [0,2,0,0,0,0|1,0,0]=3 4865 B8R0.12 CC(C)(NC=S)C(=O)O Amb27949719 [0,2,0,0,0,0|1,1,0]=4 4866 B8R0.12 CC(C)(\C=C\Br)C(=O)O Amb24420866 [0,2,0,0,0,0|1,0,1]=4 4867 B8R0.12 CC(N)(CCF)C(=O)O Amb27961476 [0,2,0,0,0,0|1,0,1]=4 4868 B8R0.12 CC(N)(CCF)C(=O)O Amb28934998 [0,2,0,0,0,0|1,0,1]=4 4869 B8R0.12 CC(O)(CC#N)C(=O)O Amb27260344 [0,2,0,0,0,0|1,0,1]=4 4870 B8R0.12 CC(O)(CCF)C(=O)O Amb33379277 [0,2,0,0,0,0|1,0,1]=4 4871 B8R0.12 CCCC(C)(C)C(=O)O Amb2720786 [0,2,0,0,0,0|1,0,1]=4 4872 B8R0.12 CCCC(C)(Cl)C(=O)O Amb17593751 [0,2,0,0,0,0|1,0,1]=4 4873 B8R0.12 CCCC(C)(F)C(=O)O Amb27797327 [0,2,0,0,0,0|1,0,1]=4 4874 B8R0.12 CCCC(C)(N)C(=O)O Amb9720287 [0,2,0,0,0,0|1,0,1]=4 4875 B8R0.12 CCCC(C)(O)C(=O)O Amb18288835 [0,2,0,0,0,0|1,0,1]=4 4876 B8R0.12 CCCC(Cl)(Cl)C(=O)O Amb2720219 [0,2,0,0,0,0|1,0,1]=4 4877 B8R0.12 CCCC(F)(F)C(=O)O Amb19929277 [0,2,0,0,0,0|1,0,1]=4 4878 B8R0.12 CCC[C@@](C)(N)C(=O)O Amb2699127 [0,2,0,0,0,0|1,0,1]=4 4879 B8R0.12 CCC[C@](C)(N)C(=O)O Amb16232632 [0,2,0,0,0,0|1,0,1]=4 4880 B8R0.12 CNCC(C)(C)C(=O)O Amb26557784 [0,2,0,0,0,0|2,0,0]=4 4881 B8R0.12 CNCC(C)(C)C(=O)O Amb33249638 [0,2,0,0,0,0|2,0,0]=4 4882 B8R0.12 CNCC(C)(O)C(=O)O Amb27478763 [0,2,0,0,0,0|2,0,0]=4 4883 B8R0.12 CNCC(F)(F)C(=O)O Amb22497225 [0,2,0,0,0,0|2,0,0]=4 4884 B8R0.12 CNCC(F)(F)C(=O)O Amb22523480 [0,2,0,0,0,0|2,0,0]=4 4885 B8R0.12 CNC[C@@](C)(N)C(=O)O Amb27975719 [0,2,0,0,0,0|2,0,0]=4 4886 B8R0.12 CNC[C@](C)(N)C(=O)O Amb25882845 [0,2,0,0,0,0|2,0,0]=4 4887 B8R0.12 COCC(C)(C)C(=O)O Amb10608195 [0,2,0,0,0,0|2,0,0]=4 4888 B8R0.12 COCC(C)(N)C(=O)O Amb18990135 [0,2,0,0,0,0|2,0,0]=4 4889 B8R0.12 COCC(C)(N)C(=O)O Amb20622455 [0,2,0,0,0,0|2,0,0]=4 4890 B8R0.12 COCC(C)(O)C(=O)O Amb18992608 [0,2,0,0,0,0|2,0,0]=4 4891 B8R0.12 COCC(F)(F)C(=O)O Amb24518571 [0,2,0,0,0,0|2,0,0]=4 4892 B8R0.12 COC[C@](C)(N)C(=O)O Amb24568285 [0,2,0,0,0,0|2,0,0]=4 4893 B8R0.12 CSCC(C)(C)C(=O)O Amb18124874 [0,2,0,0,0,0|2,0,0]=4 4894 B8R0.12 CSCC(C)(N)C(=O)O Amb18294541 [0,2,0,0,0,0|2,0,0]=4 4895 B8R0.12 CSCC(F)(F)C(=O)O Amb23590987 [0,2,0,0,0,0|2,0,0]=4 4896 B8R0.12 C[C@@](N)(CCO)C(=O)O Amb28048736 [0,2,0,0,0,0|0,0,2]=4 4897 B8R0.12 C[C@](N)(CCN)C(=O)O Amb25348479 [0,2,0,0,0,0|1,0,1]=4 4898 B8R0.12 C[C@](O)(NC=O)C(=O)O Amb27628573 [0,2,0,0,0,0|1,0,0]=3 4899 B8R0.12 C\C=C\C(C)(N)C(=O)O Amb24671255 [0,2,0,0,0,0|1,0,1]=4 4900 B8R0.12 N#CCC(F)(F)C(=O)O Amb27186473 [0,2,0,0,0,0|1,0,1]=4 4901 B8R0.12 NCCC(F)(F)C(=O)O Amb2697352 [0,2,0,0,0,0|1,0,1]=4 4902 B8R0.12 NCCC(F)(F)C(=O)O Amb31378944 [0,2,0,0,0,0|1,0,1]=4 4903 B8R0.12 NOCC(F)(F)C(=O)O Amb33171236 [0,2,0,0,0,0|2,0,0]=4 4904 B8R0.12 O=C(O)C(F)(F)CCF Amb32811300 [0,2,0,0,0,0|1,0,1]=4 4905 B8R0.12 O=C(O)C(F)(F)CNO Amb33170566 [0,2,0,0,0,0|1,0,1]=4 4906 B8R0.12 O=C=NC(F)(F)C(=O)O Amb28077169 [0,2,0,0,0,0|1,0,1]=4 4907 B8R0.14 C=CC[C@@H](Cl)P(=O)(O)O Amb27758632 [0,2,0,0,0,0|2,0,0]=4 4908 B8R0.15 C#CCC(C#N)C(=O)O Amb35741463 [0,2,0,0,0,0|1,0,1]=4 4909 B8R0.15 C#CC[C@H](CC)C(=O)O Amb28120786 [0,2,0,0,0,0|1,0,1]=4 4910 B8R0.15 C=CC(\C=C\C)C(=O)O Amb27214636 [0,2,0,0,0,0|1,0,1]=4 4911 B8R0.15 C=CCC(C#N)C(=O)O Amb27657209 [0,2,0,0,0,0|1,0,0]=3 4912 B8R0.15 C=CCC(C=O)C(=O)O Amb28313315 [0,2,0,0,0,0|1,0,0]=3 4913 B8R0.15 C=CCC(CC)C(=O)O Amb18642632 [0,2,0,0,0,0|1,0,0]=3 4914 B8R0.15 C=CCC(CC)C(C)=O Amb28366808 [0,2,0,0,0,0|2,0,0]=4 4915 B8R0.15 C=CCC(CC)C(N)=O Amb28398083 [0,2,0,0,0,0|2,0,0]=4 4916 B8R0.15 C=CCC(NO)C(=O)O Amb27768789 [0,2,0,0,0,0|1,0,0]=3 4917 B8R0.15 C=CC[C@@H](C=C)C(=O)O Amb28285259 [0,2,0,0,0,0|1,0,0]=3 4918 B8R0.15 C=CC[C@@H](CC)C(N)=O Amb27222326 [0,2,0,0,0,0|2,0,0]=4 4919 B8R0.15 C=C[C@@H](CCC)C(=O)O Amb27658640 [0,2,0,0,0,0|1,0,1]=4 4920 B8R0.15 C=C\C(=C\C=O)C(=O)O Amb27789887 [0,2,0,0,0,0|0,0,2]=4 4921 B8R0.15 CCC(CCF)C(=O)O Amb26321627 [0,2,0,0,0,0|1,0,1]=4 4922 B8R0.15 CCC(CCN)C(=O)O Amb24699884 [0,2,0,0,0,0|1,0,1]=4 4923 B8R0.15 CCC(CCN)C(=O)O Amb32662662 [0,2,0,0,0,0|1,0,1]=4 4924 B8R0.15 CCC(CCO)C(=O)O Amb18642884 [0,2,0,0,0,0|0,0,2]=4 4925 B8R0.15 CCC(COC)C(=O)O Amb18124352 [0,2,0,0,0,0|2,0,0]=4 4926 B8R0.15 CCC(CSC)C(=O)O Amb33272061 [0,2,0,0,0,0|2,0,0]=4 4927 B8R0.15 CCC(N=C=O)C(=O)O Amb33471298 [0,2,0,0,0,0|1,0,1]=4 4928 B8R0.15 CCC(NC=O)C(=O)O Amb4016839 [0,2,0,0,0,0|1,0,0]=3 4929 B8R0.15 CCC(OC=O)C(C)=O Amb27590416 [0,2,0,0,0,0|2,0,0]=4 4930 B8R0.15 CCCC(C=O)C(=O)O Amb27464964 [0,2,0,0,0,0|1,0,1]=4 4931 B8R0.15 CCCC(CC)C(=O)O Amb19009626 [0,2,0,0,0,0|1,0,1]=4 4932 B8R0.15 CCCC(CF)C(=O)O Amb27186472 [0,2,0,0,0,0|1,0,1]=4 4933 B8R0.15 CCCC(CN)C(=O)O Amb19373497 [0,2,0,0,0,0|1,0,1]=4 4934 B8R0.15 CCCC(CO)C(=O)O Amb25881510 [0,2,0,0,0,0|1,0,1]=4 4935 B8R0.15 CCCC(NC)C(=O)O Amb21961534 [0,2,0,0,0,0|1,0,1]=4 4936 B8R0.15 CCCC(NC)C(=O)O Amb22587444 [0,2,0,0,0,0|1,0,1]=4 4937 B8R0.15 CCCC(NC)C(=O)O Amb9496293 [0,2,0,0,0,0|1,0,1]=4 4938 B8R0.15 CCCC(NO)C(=O)O Amb22372057 [0,2,0,0,0,0|1,0,1]=4 4939 B8R0.15 CCCC(OC)C(=O)O Amb8455302 [0,2,0,0,0,0|1,0,1]=4 4940 B8R0.15 CCCC(SC)C(=O)O Amb28289849 [0,2,0,0,0,0|1,0,1]=4 4941 B8R0.15 CCC[C@@H](CO)C(=O)O Amb24571859 [0,2,0,0,0,0|1,0,1]=4 4942 B8R0.15 CCC[C@@H](NC)C(=O)O Amb25771939 [0,2,0,0,0,0|1,0,1]=4 4943 B8R0.15 CCC[C@@H](NC)C(=O)O Amb33801471 [0,2,0,0,0,0|1,0,1]=4 4944 B8R0.15 CCC[C@H](CN)C(=O)O Amb27460612 [0,2,0,0,0,0|1,0,1]=4 4945 B8R0.15 CCC[C@H](CO)C(=O)O Amb25063310 [0,2,0,0,0,0|1,0,1]=4 4946 B8R0.15 CCC[C@H](NC)C(=O)O Amb25062610 [0,2,0,0,0,0|1,0,1]=4 4947 B8R0.15 CCC[C@H](NC)C(=O)O Amb33456398 [0,2,0,0,0,0|1,0,1]=4 4948 B8R0.15 CC[C@@H](N=C=O)C(=O)O Amb33471357 [0,2,0,0,0,0|1,0,1]=4 4949 B8R0.15 CC[C@H](CCN)C(=O)O Amb27754665 [0,2,0,0,0,0|1,0,1]=4 4950 B8R0.15 CNC(CCO)C(=O)O Amb27390592 [0,2,0,0,0,0|0,0,2]=4 4951 B8R0.15 CNC(COC)C(=O)O Amb19304133 [0,2,0,0,0,0|2,0,0]=4 4952 B8R0.15 CNC(COC)C(=O)O Amb22059040 [0,2,0,0,0,0|2,0,0]=4 4953 B8R0.15 CNCC(C#N)C(=O)O Amb25756304 [0,2,0,0,0,0|2,0,0]=4 4954 B8R0.15 CNCC(CO)C(=O)O Amb26352745 [0,2,0,0,0,0|2,0,0]=4 4955 B8R0.15 CNCC(CO)C(=O)O Amb32661056 [0,2,0,0,0,0|2,0,0]=4 4956 B8R0.15 CN[C@H](COC)C(=O)O Amb33347473 [0,2,0,0,0,0|2,0,0]=4 4957 B8R0.15 COC(CC#N)C(=O)O Amb27157791 [0,2,0,0,0,0|1,0,1]=4 4958 B8R0.15 COC(CCF)C(=O)O Amb33379286 [0,2,0,0,0,0|1,0,1]=4 4959 B8R0.15 COC(CCN)C(=O)O Amb26631814 [0,2,0,0,0,0|1,0,1]=4 4960 B8R0.15 COC(CCN)C(=O)O Amb32661022 [0,2,0,0,0,0|1,0,1]=4 4961 B8R0.15 COCC(CN)C(=O)O Amb27219429 [0,2,0,0,0,0|2,0,0]=4 4962 B8R0.15 COCC(NO)C(=O)O Amb27247213 [0,2,0,0,0,0|2,0,0]=4 4963 B8R0.15 COCC(OC)C(=O)O Amb26627988 [0,2,0,0,0,0|2,0,0]=4 4964 B8R0.15 COCC(ON)C(=O)O Amb27251693 [0,2,0,0,0,0|2,0,0]=4 4965 B8R0.15 COCC(ON)C(=O)O Amb32670944 [0,2,0,0,0,0|2,0,0]=4 4966 B8R0.15 COCC(SC)C(=O)O Amb28046503 [0,2,0,0,0,0|2,0,0]=4 4967 B8R0.15 CSCC(CN)C(=O)O Amb33272062 [0,2,0,0,0,0|2,0,0]=4 4968 B8R0.15 C\C=C\[C@@H](CC)C(=O)O Amb28388676 [0,2,0,0,0,0|1,0,1]=4 4969 B8R0.15 C\C=N\[C@H](CO)C(=O)O Amb28423512 [0,2,0,0,0,0|2,0,0]=4 4970 B8R0.15 N#CC(CCF)C(=O)O Amb35741465 [0,2,0,0,0,0|1,0,1]=4 4971 B8R0.15 N#CC(CCO)C(=O)O Amb35741464 [0,2,0,0,0,0|0,0,2]=4 4972 B8R0.15 N#CC(NC=O)C(=O)O Amb27444484 [0,2,0,0,0,0|1,0,0]=3 4973 B8R0.15 N#CC(NC=O)C(N)=O Amb27201234 [0,2,0,0,0,0|2,0,0]=4 4974 B8R0.15 N#CCC(C#N)C(=O)O Amb35621636 [0,2,0,0,0,0|1,0,1]=4 4975 B8R0.15 NCC(CCF)C(=O)O Amb33196465 [0,2,0,0,0,0|1,0,1]=4 4976 B8R0.15 O=C(O)C(CO)CCF Amb27876842 [0,2,0,0,0,0|1,0,1]=4 4977 B8R0.15 O=C(O)C(CS)CCS Amb27477377 [0,2,0,0,0,0|0,1,1]=4 4978 B8R0.15 O=C=NC(CS)C(=O)O Amb33471296 [0,2,0,0,0,0|1,0,1]=4 4979 B8R0.15 O=CNC(CO)C(=O)O Amb18290435 [0,2,0,0,0,0|1,0,0]=3 4980 B8R0.15 O=CNC(CS)C(=O)O Amb20093366 [0,2,0,0,0,0|1,0,0]=3 4981 B8R0.15 O=CN[C@H](CO)C(=O)O Amb28248397 [0,2,0,0,0,0|1,0,0]=3 4982 B8R0.29 C=C(C)CCP(=O)(O)O Amb27163975 [0,2,0,0,0,0|2,0,0]=4 4983 B8R0.29 CC(=O)CCC(C)(C)O Amb26961451 [0,2,0,0,0,0|1,0,1]=4 4984 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,2,0,0,0,0|1,0,1]=4 4985 B8R0.29 CC(=O)CSS(=O)(=O)O Amb27256676 [0,2,0,0,0,0|2,0,0]=4 4986 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,2,0,0,0,0|2,0,0]=4 4987 B8R0.29 CC(C)(Br)CCC(=O)O Amb27402242 [0,2,0,0,0,0|1,0,1]=4 4988 B8R0.29 CC(C)(C)CCC(=O)O Amb8467936 [0,2,0,0,0,0|1,0,1]=4 4989 B8R0.29 CC(C)(Cl)CCC(=O)O Amb18644451 [0,2,0,0,0,0|1,0,1]=4 4990 B8R0.29 CC(C)(F)CCC(=O)O Amb26316862 [0,2,0,0,0,0|1,0,1]=4 4991 B8R0.29 CC(C)(N)CCC(=O)O Amb13951332 [0,2,0,0,0,0|1,0,1]=4 4992 B8R0.29 CC(C)(N)CCC(=O)O Amb6740013 [0,2,0,0,0,0|1,0,1]=4 4993 B8R0.29 CC(C)(O)CCC(=O)[O-] Amb33552947 [0,2,0,0,0,0|1,0,1]=4 4994 B8R0.29 CC(C)(O)CCC(N)=O Amb27667598 [0,2,0,0,0,0|1,0,1]=4 4995 B8R0.29 CC(C)(S)CCC(=O)O Amb22489759 [0,2,0,0,0,0|0,1,1]=4 4996 B8R0.29 CC(F)(F)CCC(=O)O Amb6252611 [0,2,0,0,0,0|1,0,1]=4 4997 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [0,2,0,0,0,0|1,0,0]=3 4998 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [0,2,0,0,0,0|2,0,0]=4 4999 B8R0.29 CS(=N)(=O)NCC(=O)O Amb35687837 [0,2,0,0,0,0|2,0,0]=4 5000 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [0,2,0,0,0,0|1,0,0]=3 5001 B8R0.29 CS(=O)(=O)NCC(=O)O Amb1120433 [0,2,0,0,0,0|2,0,0]=4 5002 B8R0.29 CS(=O)(=O)OCC(=O)O Amb25783884 [0,2,0,0,0,0|2,0,0]=4 5003 B8R0.29 CS(=O)(=O)SCC(=O)O Amb17610576 [0,2,0,0,0,0|2,0,0]=4 5004 B8R0.29 CS(C)(=O)=NCC(=O)O Amb27159666 [0,2,0,0,0,0|2,0,0]=4 5005 B8R0.29 C[N+](C)(C)CCC(=O)O Amb24117222 [0,2,0,0,0,0|2,0,0]=4 5006 B8R0.29 C[N+](C)(C)CCC(=O)O Amb33803200 [0,2,0,0,0,0|2,0,0]=4 5007 B8R0.29 C[N+](C)(N)CCC(=O)O Amb27878681 [0,2,0,0,0,0|2,0,0]=4 5008 B8R0.29 NC(=O)CCS(=O)(=O)Cl Amb27427539 [0,2,0,0,0,0|1,0,1]=4 5009 B8R0.29 NC(=O)COP(=O)(O)O Amb27760380 [0,2,0,0,0,0|2,0,0]=4 5010 B8R0.29 NC(=O)COP(=O)([O-])O Amb33483331 [0,2,0,0,0,0|2,0,0]=4 5011 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [0,2,0,0,0,0|1,0,0]=3 5012 B8R0.29 NS(=O)(=O)NCC(=O)O Amb6277125 [0,2,0,0,0,0|2,0,0]=4 5013 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,2,0,0,0,0|1,0,1]=4 5014 B8R0.29 O=C(Cl)CCS(=O)(=O)F Amb32717025 [0,2,0,0,0,0|1,0,1]=4 5015 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl Amb2725076 [0,2,0,0,0,0|1,0,1]=4 5016 B8R0.29 O=C(O)CCC(F)(F)Br Amb10838819 [0,2,0,0,0,0|1,0,1]=4 5017 B8R0.29 O=C(O)CCC(F)(F)Cl Amb27848419 [0,2,0,0,0,0|1,0,1]=4 5018 B8R0.29 O=C(O)CCC(F)(F)F Amb2778697 [0,2,0,0,0,0|1,0,1]=4 5019 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [0,2,0,0,0,0|1,0,0]=3 5020 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,2,0,0,0,0|1,0,0]=3 5021 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [0,2,0,0,0,0|1,0,0]=3 5022 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [0,2,0,0,0,0|2,0,0]=4 5023 B8R0.29 O=C([O-])CC[Si](O)(O)O Amb19893682 [0,2,0,0,0,0|0,1,1]=4 5024 B6R1.2 N=C1CCC=N1 Amb28436317 [1,0,0,1,0,0|2,0,0]=4 5025 B6R1.2 O=C1C=CCC1 Amb4019519 [1,0,0,1,0,0|1,0,0]=3 5026 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,1,0,0|2,0,0]=4 5027 B6R1.2 O=C1C=CCO1 Amb2792769 [1,0,0,1,0,0|1,0,1]=4 5028 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,1,0,0|2,0,0]=4 5029 B6R1.2 O=C1C=COC1 Amb24107591 [1,0,0,1,0,0|2,0,0]=4 5030 B6R1.2 O=C1CC=CC1 Amb2686649 [1,0,0,1,0,0|1,0,1]=4 5031 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,1,0,0|1,0,1]=4 5032 B6R1.2 O=C1CC=NN1 Amb3428206 [1,0,0,1,0,0|2,0,0]=4 5033 B6R1.2 O=C1CC=NO1 Amb27654112 [1,0,0,1,0,0|1,0,0]=3 5034 B6R1.2 O=C1CCCC1 Amb2793024 [1,0,0,1,0,0|1,0,1]=4 5035 B6R1.2 O=C1CCCN1 Amb22169686 [1,0,0,1,0,0|1,0,1]=4 5036 B6R1.2 O=C1CCCN1 Amb6608645 [1,0,0,1,0,0|1,0,1]=4 5037 B6R1.2 O=C1CCCO1 Amb3940401 [1,0,0,1,0,0|0,0,1]=3 5038 B6R1.2 O=C1CCCS1 Amb22338102 [1,0,0,1,0,0|0,1,1]=4 5039 B6R1.2 O=C1CCNC1 Amb2700623 [1,0,0,1,0,0|2,0,0]=4 5040 B6R1.2 O=C1CCNC1 Amb8386645 [1,0,0,1,0,0|2,0,0]=4 5041 B6R1.2 O=C1CCNN1 Amb33551041 [1,0,0,1,0,0|2,0,0]=4 5042 B6R1.2 O=C1CCNN1 Amb3428540 [1,0,0,1,0,0|2,0,0]=4 5043 B6R1.2 O=C1CCOC1 Amb7990143 [1,0,0,1,0,0|1,0,1]=4 5044 B6R1.2 O=C1CCON1 Amb22235009 [1,0,0,1,0,0|1,0,1]=4 5045 B6R1.2 O=C1CCSC1 Amb2720904 [1,0,0,1,0,0|1,1,0]=4 5046 B6R1.2 O=C1CN=CS1 Amb27963219 [1,0,0,1,0,0|1,1,0]=4 5047 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,1,0,0|1,0,1]=4 5048 B6R1.2 O=C1NCCO1 Amb6608807 [1,0,0,1,0,0|1,0,1]=4 5049 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,1,0,0|2,0,0]=4 5050 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,1,0,0|1,0,1]=4 5051 B6R1.2 O=C1OCCO1 Amb4057710 [1,0,0,1,0,0|1,0,1]=4 5052 B6R1.2 O=C1OCCS1 Amb27398683 [1,0,0,1,0,0|1,0,1]=4 5053 B6R1.2 OC1=NC=NC1 Amb26446352 [1,0,0,1,0,0|2,0,0]=4 5054 B6R1.2 OC1=NNCC1 Amb2111955 [1,0,0,1,0,0|2,0,0]=4 5055 B6R1.2 OC1=NNCC1 Amb844737 [1,0,0,1,0,0|2,0,0]=4 5056 B6R1.2 OC1C=CCC1 Amb33546881 [1,0,0,1,0,0|1,0,1]=4 5057 B6R1.2 O[C@H]1C=CCC1 Amb28133982 [1,0,0,1,0,0|1,0,1]=4 5058 B6R1.2 S=C1CCCO1 Amb27808589 [1,0,0,1,0,0|0,1,1]=4 5059 B6R1.5 CC1=CC(=O)C1 Amb27451158 [1,0,0,1,0,0|2,0,0]=4 5060 B6R1.5 CC1CC(=O)C1 Amb22284831 [1,0,0,1,0,0|1,0,1]=4 5061 B6R1.5 CC1CC(=O)N1 Amb28383498 [1,0,0,1,0,0|1,0,1]=4 5062 B6R1.5 CC1CC(=O)O1 Amb13777279 [1,0,0,1,0,0|0,0,1]=3 5063 B6R1.5 CC1CC(=O)S1 Amb27424521 [1,0,0,1,0,0|0,1,1]=4 5064 B6R1.5 C[C@@H]1CC(=O)N1 Amb26611068 [1,0,0,1,0,0|1,0,1]=4 5065 B6R1.5 C[C@H]1CC(=O)O1 Amb16234264 [1,0,0,1,0,0|0,0,1]=3 5066 B6R1.5 NC1CC(=O)C1 Amb20241928 [1,0,0,1,0,0|2,0,0]=4 5067 B6R1.5 NC1CC(=O)C1 Amb23439093 [1,0,0,1,0,0|2,0,0]=4 5068 B6R1.5 O=C1CC(=O)C1 Amb27832187 [1,0,0,1,0,0|1,0,0]=3 5069 B6R1.5 O=C1CC(=O)N1 Amb27402706 [1,0,0,1,0,0|1,0,0]=3 5070 B6R1.5 O=C1CC(=S)N1 Amb27815147 [1,0,0,1,0,0|1,1,0]=4 5071 B6R1.5 O=C1CC(Br)C1 Amb33548005 [1,0,0,1,0,0|2,0,0]=4 5072 B6R1.5 O=C1CC(F)C1 Amb27260513 [1,0,0,1,0,0|2,0,0]=4 5073 B6R1.5 O=C1CC(F)N1 Amb24588463 [1,0,0,1,0,0|2,0,0]=4 5074 B6R1.5 O=C1CC(O)C1 Amb22235480 [1,0,0,1,0,0|1,0,1]=4 5075 B6R1.5 O=C1C[C@@H](Br)N1 Amb26634817 [1,0,0,1,0,0|2,0,0]=4 5076 B6R1.8 C=C1C[C@@H]1C=O Amb27802488 [1,0,0,1,0,0|2,0,0]=4 5077 B6R1.8 C=C1C[C@H]1C=O Amb27185751 [1,0,0,1,0,0|2,0,0]=4 5078 B6R1.11 CC(=O)C1CC1 Amb2686663 [1,0,0,1,0,0|1,0,1]=4 5079 B6R1.11 CC(=O)C1CO1 Amb4477044 [1,0,0,1,0,0|1,0,1]=4 5080 B6R1.11 NC(=O)C1CC1 Amb33546284 [1,0,0,1,0,0|1,0,1]=4 5081 B6R1.11 NC(=O)C1CO1 Amb6261241 [1,0,0,1,0,0|1,0,1]=4 5082 B6R1.11 NC(=O)C1CS1 Amb27217272 [1,0,0,1,0,0|1,1,0]=4 5083 B6R1.11 O=C(Br)C1CC1 Amb27457101 [1,0,0,1,0,0|1,0,1]=4 5084 B6R1.11 O=C(Cl)C1CC1 Amb3939317 [1,0,0,1,0,0|1,0,1]=4 5085 B6R1.11 O=C(I)C1CC1 Amb28315968 [1,0,0,1,0,0|1,0,1]=4 5086 B6R1.11 O=C(O)C1C=C1 Amb27185565 [1,0,0,1,0,0|0,0,1]=3 5087 B6R1.11 O=C(O)C1CC1 Amb2686655 [1,0,0,1,0,0|0,0,1]=3 5088 B6R1.11 O=C(O)C1CN1 Amb21864773 [1,0,0,1,0,0|1,0,0]=3 5089 B6R1.11 O=C(O)C1CO1 Amb8395277 [1,0,0,1,0,0|0,0,1]=3 5090 B6R1.11 O=C(O)C1NN1 Amb27949037 [1,0,0,1,0,0|2,0,0]=4 5091 B6R1.11 O=C(O)[C@@H]1CN1 Amb22745452 [1,0,0,1,0,0|1,0,0]=3 5092 B6R1.11 O=C(O)[C@@H]1CO1 Amb26994292 [1,0,0,1,0,0|0,0,1]=3 5093 B6R1.11 O=C(O)[C@@H]1CS1 Amb28396934 [1,0,0,1,0,0|0,1,0]=3 5094 B6R1.11 O=C(O)[C@H]1CS1 Amb27845518 [1,0,0,1,0,0|0,1,0]=3 5095 B6R1.11 O=C([O-])C1CO1 Amb22492453 [1,0,0,1,0,0|0,0,2]=4 5096 B6R1.11 O=S(O)C1CC1 Amb24334290 [1,0,0,1,0,0|1,0,1]=4 5097 B6R1.11 O=[PH](O)C1CC1 Amb8391285 [1,0,0,1,0,0|1,0,1]=4 5098 B6R1.1 C1=CCCC=C1 Amb6297761 [1,0,0,1,0,0|2,0,0]=4 5099 B6R1.1 C1=COCCC1 Amb6609004 [1,0,0,1,0,0|1,0,1]=4 5100 B6R1.4 CC1CCC1=O Amb17593022 [1,0,0,1,0,0|1,0,1]=4 5101 B6R1.4 N=C1CNC1=O Amb27255646 [1,0,0,1,0,0|2,0,0]=4 5102 B6R1.4 NC1CCC1=O Amb22896568 [1,0,0,1,0,0|1,0,1]=4 5103 B6R1.4 NC1CCC1=O Amb25887804 [1,0,0,1,0,0|1,0,1]=4 5104 B6R1.4 NN1CCC1=O Amb27860475 [1,0,0,1,0,0|2,0,0]=4 5105 B6R1.4 NN1CCC1=O Amb30625658 [1,0,0,1,0,0|2,0,0]=4 5106 B6R1.4 O=C1C=CC1=O Amb22731249 [1,0,0,1,0,0|0,0,2]=4 5107 B6R1.4 O=C1CCC1=O Amb4036402 [1,0,0,1,0,0|0,0,0]=2 5108 B6R1.4 O=C1CCC1Br Amb21964157 [1,0,0,1,0,0|1,0,1]=4 5109 B6R1.4 O=C1CCC1Cl Amb33544158 [1,0,0,1,0,0|1,0,1]=4 5110 B6R1.4 O=C1CCC1O Amb17593027 [1,0,0,1,0,0|0,0,1]=3 5111 B6R1.4 O=C1CNC1=O Amb27973276 [1,0,0,1,0,0|1,0,0]=3 5112 B6R1.4 O=C1NCC1O Amb24689689 [1,0,0,1,0,0|1,0,1]=4 5113 B6R1.4 O=C1NNC1=O Amb25328306 [1,0,0,1,0,0|2,0,0]=4 5114 B6R1.6 O=CC1CCC1 Amb8009552 [1,0,0,1,0,0|1,0,1]=4 5115 B6R1.6 O=CC1CCN1 Amb25757222 [1,0,0,1,0,0|1,0,1]=4 5116 B6R1.6 O=CC1CCS1 Amb27644631 [1,0,0,1,0,0|0,1,1]=4 5117 B6R1.6 O=CC1CNC1 Amb25919428 [1,0,0,1,0,0|2,0,0]=4 5118 B6R1.6 O=CC1COC1 Amb21857829 [1,0,0,1,0,0|2,0,0]=4 5119 B6R1.6 OCC1C=CC1 Amb26987497 [1,0,0,1,0,0|1,0,1]=4 5120 B8R1.1 C=C1CCN(C=O)C1 Amb35637496 [0,1,0,1,0,0|2,0,0]=4 5121 B8R1.1 C=CC1=CC(=O)CC1 Amb28455401 [0,1,0,1,0,0|2,0,0]=4 5122 B8R1.1 C=CC1CCC(=O)C1 Amb26592031 [0,1,0,1,0,0|2,0,0]=4 5123 B8R1.1 C=CC1CCC(=O)N1 Amb20622087 [0,1,0,1,0,0|2,0,0]=4 5124 B8R1.1 C=CC1CCC(=O)O1 Amb33249669 [0,1,0,1,0,0|1,0,0]=3 5125 B8R1.1 C=CC1CNC(=O)O1 Amb25064259 [0,1,0,1,0,0|1,0,0]=3 5126 B8R1.1 C=CC1CNC(=O)S1 Amb26026754 [0,1,0,1,0,0|1,1,0]=4 5127 B8R1.1 C=CC1CNC(=S)O1 Amb20622116 [0,1,0,1,0,0|1,1,0]=4 5128 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,1,0,1,0,0|1,0,0]=3 5129 B8R1.1 C=CC1COC(=O)O1 Amb17942789 [0,1,0,1,0,0|1,0,0]=3 5130 B8R1.1 C=C[C@@H]1C=CC(=O)C1 Amb28202331 [0,1,0,1,0,0|2,0,0]=4 5131 B8R1.1 C=C[C@@H]1CCC(=O)N1 Amb27838334 [0,1,0,1,0,0|2,0,0]=4 5132 B8R1.1 C=C[C@@H]1CNC(=S)O1 Amb22169199 [0,1,0,1,0,0|1,1,0]=4 5133 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,1,0,1,0,0|1,0,0]=3 5134 B8R1.1 C=C[C@@H]1COC(=O)N1 Amb27461297 [0,1,0,1,0,0|2,0,0]=4 5135 B8R1.1 C=C[C@@H]1COC(=O)O1 Amb25946828 [0,1,0,1,0,0|1,0,0]=3 5136 B8R1.1 C=C[C@H]1CCC(=O)N1 Amb27459295 [0,1,0,1,0,0|2,0,0]=4 5137 B8R1.1 C=C[C@H]1CNC(=S)O1 Amb27838399 [0,1,0,1,0,0|1,1,0]=4 5138 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,1,0,1,0,0|1,0,0]=3 5139 B8R1.1 C=C[C@H]1COC(=O)N1 Amb27174193 [0,1,0,1,0,0|2,0,0]=4 5140 B8R1.1 C=C[C@H]1COC(=O)O1 Amb26588639 [0,1,0,1,0,0|1,0,0]=3 5141 B8R1.1 CC1=CCC(C=O)C1 Amb28186881 [0,1,0,1,0,0|2,0,0]=4 5142 B8R1.1 CC1=C\C(=N\O)CC1 Amb28324785 [0,1,0,1,0,0|2,0,0]=4 5143 B8R1.1 CC1=NOC(C=O)C1 Amb8010570 [0,1,0,1,0,0|1,0,0]=3 5144 B8R1.1 CC1COC(C=O)C1 Amb28285207 [0,1,0,1,0,0|1,0,1]=4 5145 B8R1.1 CCC1=CC(=O)CC1 Amb25889297 [0,1,0,1,0,0|2,0,0]=4 5146 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [0,1,0,1,0,0|1,0,1]=4 5147 B8R1.1 CCC1CC(=O)CO1 Amb27856666 [0,1,0,1,0,0|1,0,1]=4 5148 B8R1.1 CCC1CCC(=O)O1 Amb3941505 [0,1,0,1,0,0|1,0,1]=4 5149 B8R1.1 CCC1CNC(=O)O1 Amb27237218 [0,1,0,1,0,0|1,0,1]=4 5150 B8R1.1 CCC1COC(=O)C1 Amb27854064 [0,1,0,1,0,0|1,0,1]=4 5151 B8R1.1 CCC1COC(=O)O1 Amb2721339 [0,1,0,1,0,0|1,0,1]=4 5152 B8R1.1 CC[C@@H]1CCC(=O)O1 Amb26626757 [0,1,0,1,0,0|1,0,1]=4 5153 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,1,0,1,0,0|1,0,1]=4 5154 B8R1.1 CC[C@H]1CNC(=O)O1 Amb27954656 [0,1,0,1,0,0|1,0,1]=4 5155 B8R1.1 CNC1COC(=O)C1 Amb26505382 [0,1,0,1,0,0|2,0,0]=4 5156 B8R1.1 COC1=CC(=O)CC1 Amb21864758 [0,1,0,1,0,0|1,0,0]=3 5157 B8R1.1 COC1=CC(=O)NC1 Amb33544946 [0,1,0,1,0,0|2,0,0]=4 5158 B8R1.1 COC1=CC(=O)OC1 Amb6366827 [0,1,0,1,0,0|2,0,0]=4 5159 B8R1.1 COC1=CC(=O)SC1 Amb28043936 [0,1,0,1,0,0|2,0,0]=4 5160 B8R1.1 COC1CC(=O)CO1 Amb27409395 [0,1,0,1,0,0|2,0,0]=4 5161 B8R1.1 COC1CCC(=O)C1 Amb24483163 [0,1,0,1,0,0|1,0,1]=4 5162 B8R1.1 COC1CCC(=O)N1 Amb17617087 [0,1,0,1,0,0|1,0,1]=4 5163 B8R1.1 CSC1COC(=O)O1 Amb27395888 [0,1,0,1,0,0|2,0,0]=4 5164 B8R1.1 C\C=C1\CCC(=O)O1 Amb27421031 [0,1,0,1,0,0|1,0,0]=3 5165 B8R1.1 C\N=C1/CCC(=O)N1 Amb26457426 [0,1,0,1,0,0|2,0,0]=4 5166 B8R1.1 N#CC1=CC(=O)CC1 Amb18122621 [0,1,0,1,0,0|2,0,0]=4 5167 B8R1.1 N#CC1CNC(=O)O1 Amb26984953 [0,1,0,1,0,0|1,0,1]=4 5168 B8R1.1 N#CC1COC(=O)O1 Amb35788458 [0,1,0,1,0,0|1,0,1]=4 5169 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,1,0,1,0,0|1,0,1]=4 5170 B8R1.1 NCC1CCC(=O)O1 Amb28934914 [0,1,0,1,0,0|1,0,1]=4 5171 B8R1.1 NCC1CNC(=O)O1 Amb17506099 [0,1,0,1,0,0|1,0,1]=4 5172 B8R1.1 NCC1CNC(=O)O1 Amb33527727 [0,1,0,1,0,0|1,0,1]=4 5173 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb24183560 [0,1,0,1,0,0|1,0,1]=4 5174 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb25127772 [0,1,0,1,0,0|1,0,1]=4 5175 B8R1.1 NC[C@H]1CNC(=O)O1 Amb27403470 [0,1,0,1,0,0|1,0,1]=4 5176 B8R1.1 NC[C@H]1CNC(=O)O1 Amb30869777 [0,1,0,1,0,0|1,0,1]=4 5177 B8R1.1 O=C1C=C(CO)CO1 Amb23557062 [0,1,0,1,0,0|2,0,0]=4 5178 B8R1.1 O=C1C=C(CO)OC1 Amb26899531 [0,1,0,1,0,0|2,0,0]=4 5179 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,1,0,1,0,0|1,0,1]=4 5180 B8R1.1 O=C1CC(CO)CO1 Amb22886806 [0,1,0,1,0,0|0,0,2]=4 5181 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,1,0,1,0,0|0,0,2]=4 5182 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,1,0,1,0,0|1,0,1]=4 5183 B8R1.1 O=C1CCC(CCl)O1 Amb10608418 [0,1,0,1,0,0|1,0,1]=4 5184 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,1,0,1,0,0|1,0,1]=4 5185 B8R1.1 O=C1CCC(CO)C1 Amb22168734 [0,1,0,1,0,0|1,0,1]=4 5186 B8R1.1 O=C1CCC(CO)N1 Amb33544815 [0,1,0,1,0,0|1,0,1]=4 5187 B8R1.1 O=C1CCC(CO)O1 Amb20240701 [0,1,0,1,0,0|0,0,2]=4 5188 B8R1.1 O=C1CCC(CO)S1 Amb28202904 [0,1,0,1,0,0|0,1,1]=4 5189 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,1,0,1,0,0|1,0,1]=4 5190 B8R1.1 O=C1CC[C@@H](CI)O1 Amb27175447 [0,1,0,1,0,0|1,0,1]=4 5191 B8R1.1 O=C1CC[C@@H](CO)N1 Amb2371840 [0,1,0,1,0,0|1,0,1]=4 5192 B8R1.1 O=C1CC[C@@H](CO)O1 Amb8515911 [0,1,0,1,0,0|0,0,2]=4 5193 B8R1.1 O=C1CC[C@H](CO)N1 Amb2694795 [0,1,0,1,0,0|1,0,1]=4 5194 B8R1.1 O=C1CC[C@H](CO)O1 Amb4037005 [0,1,0,1,0,0|0,0,2]=4 5195 B8R1.1 O=C1COC(CO)C1 Amb24117838 [0,1,0,1,0,0|0,0,2]=4 5196 B8R1.1 O=C1CS\C(=N\O)N1 Amb22411255 [0,1,0,1,0,0|2,0,0]=4 5197 B8R1.1 O=C1C[C@@H](CBr)CO1 Amb27590526 [0,1,0,1,0,0|1,0,1]=4 5198 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,1,0,1,0,0|1,0,1]=4 5199 B8R1.1 O=C1N=C(NO)CS1 Amb26056565 [0,1,0,1,0,0|2,0,0]=4 5200 B8R1.1 O=C1NCC(CBr)O1 Amb24530204 [0,1,0,1,0,0|1,0,1]=4 5201 B8R1.1 O=C1NCC(CCl)O1 Amb1152954 [0,1,0,1,0,0|1,0,1]=4 5202 B8R1.1 O=C1NCC(CF)O1 Amb33379234 [0,1,0,1,0,0|1,0,1]=4 5203 B8R1.1 O=C1NCC(CI)O1 Amb28282085 [0,1,0,1,0,0|1,0,1]=4 5204 B8R1.1 O=C1NCC(CO)O1 Amb9421413 [0,1,0,1,0,0|0,0,2]=4 5205 B8R1.1 O=C1NCC(CS)O1 Amb25725846 [0,1,0,1,0,0|0,1,1]=4 5206 B8R1.1 O=C1NC[C@@H](CBr)O1 Amb27401944 [0,1,0,1,0,0|1,0,1]=4 5207 B8R1.1 O=C1NC[C@@H](CCl)O1 Amb22232513 [0,1,0,1,0,0|1,0,1]=4 5208 B8R1.1 O=C1NC[C@@H](CO)O1 Amb24183552 [0,1,0,1,0,0|0,0,2]=4 5209 B8R1.1 O=C1NC[C@H](CCl)O1 Amb25077275 [0,1,0,1,0,0|1,0,1]=4 5210 B8R1.1 O=C1NC[C@H](CO)O1 Amb22737250 [0,1,0,1,0,0|0,0,2]=4 5211 B8R1.1 O=C1OCC(CCl)O1 Amb3940630 [0,1,0,1,0,0|1,0,1]=4 5212 B8R1.1 O=C1OCC(CF)O1 Amb28348445 [0,1,0,1,0,0|1,0,1]=4 5213 B8R1.1 O=C1OCC(CO)O1 Amb3939438 [0,1,0,1,0,0|0,0,2]=4 5214 B8R1.1 O=C1OCC(CS)O1 Amb32650873 [0,1,0,1,0,0|0,1,1]=4 5215 B8R1.1 O=CC1=CC(=O)NC1 Amb27962554 [0,1,0,1,0,0|1,0,1]=4 5216 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [0,1,0,1,0,0|0,0,2]=4 5217 B8R1.1 O=CC1=NC(=O)CS1 Amb35679379 [0,1,0,1,0,0|1,0,1]=4 5218 B8R1.1 O=CC1=NNC(=O)C1 Amb18203380 [0,1,0,1,0,0|1,0,1]=4 5219 B8R1.1 O=CC1=NOC(=O)C1 Amb27209562 [0,1,0,1,0,0|0,0,1]=3 5220 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [0,1,0,1,0,0|1,0,0]=3 5221 B8R1.1 O=CC1CCC(=O)N1 Amb24113125 [0,1,0,1,0,0|1,0,0]=3 5222 B8R1.1 O=CC1CCC(O)C1 Amb18641801 [0,1,0,1,0,0|1,0,1]=4 5223 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,1,0,1,0,0|1,0,0]=3 5224 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [0,1,0,1,0,0|0,0,0]=2 5225 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [0,1,0,1,0,0|0,0,0]=2 5226 B8R1.1 O=CN1CC[C@H](O)C1 Amb27459549 [0,1,0,1,0,0|1,0,1]=4 5227 B8R1.1 O=C[C@@H]1CCC(=O)N1 Amb27390986 [0,1,0,1,0,0|1,0,0]=3 5228 B8R1.1 O=C[C@H]1CCC(=O)O1 Amb27964499 [0,1,0,1,0,0|0,0,0]=2 5229 B8R1.1 O=C[C@H]1CCC(=O)S1 Amb27792268 [0,1,0,1,0,0|0,1,0]=3 5230 B8R1.1 O=NN1CCC(=O)N1 Amb2417179 [0,1,0,1,0,0|2,0,0]=4 5231 B8R1.1 O=S=C1NC(=O)CS1 Amb27669987 [0,1,0,1,0,0|2,0,0]=4 5232 B8R1.1 [NH3+]C[C@@H]1CCC(=O)O1 Amb28464028 [0,1,0,1,0,0|1,0,1]=4 5233 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,1,0,1,0,0|2,0,0]=4 5234 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,1,0,1,0,0|2,0,0]=4 5235 B8R1.4 CC1=CC(=O)CSC1 Amb28316129 [0,1,0,1,0,0|2,0,0]=4 5236 B8R1.4 CC1=CC(=O)NCC1 Amb27170325 [0,1,0,1,0,0|2,0,0]=4 5237 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,1,0,1,0,0|2,0,0]=4 5238 B8R1.4 CC1=CCCC(=O)N1 Amb27949580 [0,1,0,1,0,0|2,0,0]=4 5239 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,1,0,1,0,0|1,0,0]=3 5240 B8R1.4 CC1=CCNC(=O)O1 Amb23596886 [0,1,0,1,0,0|1,0,1]=4 5241 B8R1.4 CC1=NC(=O)CCC1 Amb28239945 [0,1,0,1,0,0|2,0,0]=4 5242 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,1,0,1,0,0|1,0,1]=4 5243 B8R1.4 CC1CCOC(=O)O1 Amb33714707 [0,1,0,1,0,0|1,0,1]=4 5244 B8R1.4 C[C@@H]1CCCC(=O)O1 Amb4166295 [0,1,0,1,0,0|1,0,1]=4 5245 B8R1.4 C[C@H]1CCCC(=O)O1 Amb26865751 [0,1,0,1,0,0|1,0,1]=4 5246 B8R1.4 N=C1CCSC(=O)N1 Amb28434696 [0,1,0,1,0,0|2,0,0]=4 5247 B8R1.4 N=C1NC(=O)CCS1 Amb24666714 [0,1,0,1,0,0|2,0,0]=4 5248 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,1,0,1,0,0|2,0,0]=4 5249 B8R1.4 NC1=CC(=O)COC1 Amb25785409 [0,1,0,1,0,0|2,0,0]=4 5250 B8R1.4 NC1=CC(=O)CSC1 Amb28066865 [0,1,0,1,0,0|2,0,0]=4 5251 B8R1.4 NC1=CC(=O)NCC1 Amb22229455 [0,1,0,1,0,0|2,0,0]=4 5252 B8R1.4 O=C1C=C(Br)CCC1 Amb33542768 [0,1,0,1,0,0|2,0,0]=4 5253 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,1,0,1,0,0|2,0,0]=4 5254 B8R1.4 O=C1C=C(Cl)CCC1 Amb2697044 [0,1,0,1,0,0|2,0,0]=4 5255 B8R1.4 O=C1C=C(I)CCC1 Amb25706767 [0,1,0,1,0,0|2,0,0]=4 5256 B8R1.4 O=C1C=C(O)CCC1 Amb17844413 [0,1,0,1,0,0|1,0,0]=3 5257 B8R1.4 O=C1C=C(O)COC1 Amb28048998 [0,1,0,1,0,0|1,0,0]=3 5258 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,1,0,1,0,0|0,0,1]=3 5259 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,1,0,1,0,0|0,0,2]=4 5260 B8R1.4 O=C1C=COC(=O)C1 Amb25358147 [0,1,0,1,0,0|1,0,1]=4 5261 B8R1.4 O=C1CC(=O)NCN1 Amb27949946 [0,1,0,1,0,0|2,0,0]=4 5262 B8R1.4 O=C1CC(O)CCN1 Amb10602744 [0,1,0,1,0,0|1,0,1]=4 5263 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,1,0,1,0,0|1,0,0]=3 5264 B8R1.4 O=C1CCCC(=O)N1 Amb8386485 [0,1,0,1,0,0|1,0,0]=3 5265 B8R1.4 O=C1CCCC(=O)O1 Amb6608952 [0,1,0,1,0,0|0,0,0]=2 5266 B8R1.4 O=C1CCCC(=O)S1 Amb27849467 [0,1,0,1,0,0|0,1,0]=3 5267 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,1,0,1,0,0|1,0,1]=4 5268 B8R1.4 O=C1CCCC(O)N1 Amb26394230 [0,1,0,1,0,0|1,0,1]=4 5269 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,1,0,1,0,0|1,0,1]=4 5270 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,1,0,1,0,0|1,0,1]=4 5271 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,1,0,1,0,0|1,0,0]=3 5272 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,1,0,1,0,0|1,0,0]=3 5273 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,1,0,1,0,0|0,0,0]=2 5274 B8R1.4 O=C1CCNC(=O)S1 Amb27786235 [0,1,0,1,0,0|0,1,0]=3 5275 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,1,0,1,0,0|1,0,0]=3 5276 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,1,0,1,0,0|1,0,0]=3 5277 B8R1.4 O=C1CNCC(=O)C1 Amb26464137 [0,1,0,1,0,0|1,0,0]=3 5278 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,1,0,1,0,0|1,0,0]=3 5279 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,1,0,1,0,0|1,0,0]=3 5280 B8R1.4 O=C1CNCC(=O)S1 Amb27390859 [0,1,0,1,0,0|0,1,0]=3 5281 B8R1.4 O=C1COCC(=O)C1 Amb8392404 [0,1,0,1,0,0|1,0,0]=3 5282 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,1,0,1,0,0|1,0,0]=3 5283 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,1,0,1,0,0|0,0,0]=2 5284 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,1,0,1,0,0|2,0,0]=4 5285 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,1,0,1,0,0|1,0,0]=3 5286 B8R1.4 O=C1CSCC(=O)N1 Amb7173003 [0,1,0,1,0,0|1,0,0]=3 5287 B8R1.4 O=C1CSCC(=O)O1 Amb2725405 [0,1,0,1,0,0|0,0,0]=2 5288 B8R1.4 O=C1C[C@@H](O)CCN1 Amb22744924 [0,1,0,1,0,0|1,0,1]=4 5289 B8R1.4 O=C1C[C@H](O)CCN1 Amb17845212 [0,1,0,1,0,0|1,0,1]=4 5290 B8R1.4 O=C1NC(=S)CCS1 Amb2470197 [0,1,0,1,0,0|1,1,0]=4 5291 B8R1.4 O=C1NCNC(=O)N1 Amb4010672 [0,1,0,1,0,0|2,0,0]=4 5292 B8R1.18 C=C1CC(=O)NC1=O Amb26369663 [0,1,0,1,0,0|1,0,1]=4 5293 B8R1.18 C=C1CC(=O)OC1=O Amb3940408 [0,1,0,1,0,0|0,0,1]=3 5294 B8R1.18 CC1=CC(=O)C(Br)C1 Amb28284387 [0,1,0,1,0,0|2,0,0]=4 5295 B8R1.18 CC1=CC(=O)C(C)C1 Amb24647798 [0,1,0,1,0,0|2,0,0]=4 5296 B8R1.18 CC1=CC(=O)C(Cl)C1 Amb27750318 [0,1,0,1,0,0|2,0,0]=4 5297 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [0,1,0,1,0,0|2,0,0]=4 5298 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [0,1,0,1,0,0|2,0,0]=4 5299 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [0,1,0,1,0,0|2,0,0]=4 5300 B8R1.18 CC1=CC(=O)OC1=O Amb6608948 [0,1,0,1,0,0|0,0,2]=4 5301 B8R1.18 CC1=CC(Cl)C(=O)O1 Amb24349720 [0,1,0,1,0,0|1,0,1]=4 5302 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [0,1,0,1,0,0|1,0,0]=3 5303 B8R1.18 CC1CC(=O)NC1O Amb27975748 [0,1,0,1,0,0|1,0,1]=4 5304 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,1,0,1,0,0|0,0,0]=2 5305 B8R1.18 CC1CC(=O)OC1C Amb27873473 [0,1,0,1,0,0|1,0,1]=4 5306 B8R1.18 CC1CC(=O)OC1O Amb26536810 [0,1,0,1,0,0|0,0,2]=4 5307 B8R1.18 CC1CC(Br)C(=O)O1 Amb6608903 [0,1,0,1,0,0|1,0,1]=4 5308 B8R1.18 CC1CC(C)C(=O)O1 Amb4017434 [0,1,0,1,0,0|1,0,1]=4 5309 B8R1.18 CC1CC(N)C(=O)O1 Amb32653104 [0,1,0,1,0,0|1,0,1]=4 5310 B8R1.18 CC1CC(N)C(=O)O1 Amb448594 [0,1,0,1,0,0|1,0,1]=4 5311 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [0,1,0,1,0,0|1,0,1]=4 5312 B8R1.18 CC1C[C@H](N)C(=O)O1 Amb27844768 [0,1,0,1,0,0|1,0,1]=4 5313 B8R1.18 CC1NC(=O)C=C1O Amb27844475 [0,1,0,1,0,0|2,0,0]=4 5314 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,1,0,1,0,0|2,0,0]=4 5315 B8R1.18 CC1NC(=O)NC1=O Amb1150065 [0,1,0,1,0,0|2,0,0]=4 5316 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,1,0,1,0,0|1,0,0]=3 5317 B8R1.18 CC1NC(=S)OC1=O Amb27410191 [0,1,0,1,0,0|1,1,0]=4 5318 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [0,1,0,1,0,0|2,0,0]=4 5319 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,1,0,1,0,0|2,0,0]=4 5320 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [0,1,0,1,0,0|1,0,0]=3 5321 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,1,0,1,0,0|2,0,0]=4 5322 B8R1.18 CN1CC(=O)CC1=O Amb33543710 [0,1,0,1,0,0|2,0,0]=4 5323 B8R1.18 CN1CC(=O)NC1=O Amb3940344 [0,1,0,1,0,0|2,0,0]=4 5324 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,1,0,1,0,0|1,0,0]=3 5325 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,1,0,1,0,0|0,0,0]=2 5326 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,1,0,1,0,0|1,0,1]=4 5327 B8R1.18 C[C@@H]1NC(=O)C=C1O Amb27815038 [0,1,0,1,0,0|2,0,0]=4 5328 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,1,0,1,0,0|2,0,0]=4 5329 B8R1.18 C[C@@H]1NC(=O)NC1=O Amb17617476 [0,1,0,1,0,0|2,0,0]=4 5330 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [0,1,0,1,0,0|1,0,0]=3 5331 B8R1.18 C[C@@H]1OC(=O)C[C@H]1Cl Amb27252234 [0,1,0,1,0,0|1,0,1]=4 5332 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [0,1,0,1,0,0|1,0,0]=3 5333 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,1,0,1,0,0|0,0,0]=2 5334 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [0,1,0,1,0,0|1,0,1]=4 5335 B8R1.18 C[C@H]1C[C@@H](C)C(=O)O1 Amb28060142 [0,1,0,1,0,0|1,0,1]=4 5336 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [0,1,0,1,0,0|1,0,1]=4 5337 B8R1.18 C[C@H]1NC(=O)NC1=O Amb17617475 [0,1,0,1,0,0|2,0,0]=4 5338 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [0,1,0,1,0,0|1,0,0]=3 5339 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [0,1,0,1,0,0|1,0,1]=4 5340 B8R1.18 C[C@H]1OC(=O)C[C@H]1O Amb27775518 [0,1,0,1,0,0|1,0,1]=4 5341 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [0,1,0,1,0,0|1,0,0]=3 5342 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [0,1,0,1,0,0|1,0,0]=3 5343 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,1,0,1,0,0|0,0,0]=2 5344 B8R1.18 NC1NC(=O)NC1=O Amb28118590 [0,1,0,1,0,0|2,0,0]=4 5345 B8R1.18 NC1SC(=O)NC1=O Amb2794365 [0,1,0,1,0,0|2,0,0]=4 5346 B8R1.18 NN1CC(=O)NC1=O Amb1106079 [0,1,0,1,0,0|2,0,0]=4 5347 B8R1.18 NN1CC(=O)NC1=O Amb2720280 [0,1,0,1,0,0|2,0,0]=4 5348 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,1,0,1,0,0|0,0,0]=2 5349 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,1,0,1,0,0|0,0,0]=2 5350 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [0,1,0,1,0,0|1,0,0]=3 5351 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,1,0,1,0,0|0,0,0]=2 5352 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [0,1,0,1,0,0|0,0,2]=4 5353 B8R1.18 O=C1C=C(Br)C(=O)O1 Amb15693391 [0,1,0,1,0,0|0,0,2]=4 5354 B8R1.18 O=C1C=C(F)C(=O)O1 Amb28049388 [0,1,0,1,0,0|0,0,2]=4 5355 B8R1.18 O=C1C=C(O)C(=O)C1 Amb24330381 [0,1,0,1,0,0|1,0,1]=4 5356 B8R1.18 O=C1CC(=O)C(=O)C1 Amb28126773 [0,1,0,1,0,0|1,0,1]=4 5357 B8R1.18 O=C1CC(=O)C(O)C1 Amb24330382 [0,1,0,1,0,0|1,0,0]=3 5358 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,1,0,1,0,0|0,0,0]=2 5359 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,1,0,1,0,0|0,0,0]=2 5360 B8R1.18 O=C1CN([SiH3])C(=O)N1 Amb28071257 [0,1,0,1,0,0|2,0,0]=4 5361 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,1,0,1,0,0|0,0,0]=2 5362 B8R1.18 O=C1C[C@@H](O)[C@H](O)C1 Amb27841798 [0,1,0,1,0,0|1,0,1]=4 5363 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,1,0,1,0,0|0,0,0]=2 5364 B8R1.18 O=C1NC(=O)C(Br)N1 Amb8383660 [0,1,0,1,0,0|2,0,0]=4 5365 B8R1.18 O=C1NC(=O)C(Br)S1 Amb2436078 [0,1,0,1,0,0|2,0,0]=4 5366 B8R1.18 O=C1NC(=O)C(O)N1 Amb17615425 [0,1,0,1,0,0|2,0,0]=4 5367 B8R1.18 O=C1OC(O)CC1O Amb27761542 [0,1,0,1,0,0|0,0,2]=4 5368 B8R1.18 [NH3+]N1CC(=O)NC1=O Amb4296932 [0,1,0,1,0,0|2,0,0]=4 5369 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [0,1,0,1,0,0|1,0,0]=3 5370 B8R1.20 C=C1CC1CC(C)=O Amb28326031 [0,1,0,1,0,0|2,0,0]=4 5371 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,1,0,1,0,0|2,0,0]=4 5372 B8R1.20 C=C1CC1NC(N)=O Amb27246174 [0,1,0,1,0,0|2,0,0]=4 5373 B8R1.20 CC(=O)CC1OC1C Amb27767850 [0,1,0,1,0,0|1,0,1]=4 5374 B8R1.20 CC1CC1CC(=O)O Amb25316515 [0,1,0,1,0,0|1,0,1]=4 5375 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [0,1,0,1,0,0|1,0,1]=4 5376 B8R1.20 NC1CC1CC(=O)O Amb27201670 [0,1,0,1,0,0|1,0,1]=4 5377 B8R1.20 N[C@@H]1C[C@H]1CC(=O)O Amb27252154 [0,1,0,1,0,0|1,0,1]=4 5378 B8R1.20 O=C(O)CC1CC1O Amb27981662 [0,1,0,1,0,0|0,0,2]=4 5379 B8R1.29 CC1CC(C)(O)C1=O Amb27762931 [0,1,0,1,0,0|1,0,1]=4 5380 B8R1.31 C=C(C)C1CCC1=O Amb28383142 [0,1,0,1,0,0|2,0,0]=4 5381 B8R1.31 C=C(C)C1SCC1=O Amb28351407 [0,1,0,1,0,0|2,0,0]=4 5382 B8R1.31 C=C1CCC1C(=O)O Amb28281144 [0,1,0,1,0,0|1,0,0]=3 5383 B8R1.31 CC(=O)C1=C(C)CC1 Amb28316170 [0,1,0,1,0,0|2,0,0]=4 5384 B8R1.31 CC(=O)C1=C(Cl)CC1 Amb28048920 [0,1,0,1,0,0|2,0,0]=4 5385 B8R1.31 CC(=O)C1CCC1=O Amb26910118 [0,1,0,1,0,0|1,0,0]=3 5386 B8R1.31 CC(O)C1CNC1=O Amb27872309 [0,1,0,1,0,0|1,0,1]=4 5387 B8R1.31 CC1CCC1C(=O)O Amb21857447 [0,1,0,1,0,0|1,0,1]=4 5388 B8R1.31 CC1NCC1C(=O)O Amb26984410 [0,1,0,1,0,0|1,0,1]=4 5389 B8R1.31 CN1CCC1C(=O)O Amb22011586 [0,1,0,1,0,0|1,0,1]=4 5390 B8R1.31 CN1CC[C@@H]1C(=O)O Amb24183372 [0,1,0,1,0,0|1,0,1]=4 5391 B8R1.31 CN1CC[C@H]1C(=O)O Amb24699921 [0,1,0,1,0,0|1,0,1]=4 5392 B8R1.31 C[C@@H]1CC[C@@H]1C(=O)O Amb28203929 [0,1,0,1,0,0|1,0,1]=4 5393 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb24597629 [0,1,0,1,0,0|1,0,1]=4 5394 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb33620541 [0,1,0,1,0,0|1,0,1]=4 5395 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O Amb34913092 [0,1,0,1,0,0|1,0,1]=4 5396 B8R1.31 NC(=O)C1NOC1=O Amb27202973 [0,1,0,1,0,0|2,0,0]=4 5397 B8R1.31 NC1CCC1C(=O)O Amb26979562 [0,1,0,1,0,0|1,0,1]=4 5398 B8R1.31 NC1COC1C(=O)O Amb28428430 [0,1,0,1,0,0|0,0,2]=4 5399 B8R1.31 NN1CC[C@H]1C(=O)O Amb27261518 [0,1,0,1,0,0|1,0,1]=4 5400 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24117048 [0,1,0,1,0,0|1,0,1]=4 5401 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24183584 [0,1,0,1,0,0|1,0,1]=4 5402 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb25976891 [0,1,0,1,0,0|1,0,1]=4 5403 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb31291972 [0,1,0,1,0,0|1,0,1]=4 5404 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Amb24681491 [0,1,0,1,0,0|0,0,2]=4 5405 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb27187220 [0,1,0,1,0,0|1,0,1]=4 5406 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb33805288 [0,1,0,1,0,0|1,0,1]=4 5407 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb25911896 [0,1,0,1,0,0|1,0,1]=4 5408 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb33801366 [0,1,0,1,0,0|1,0,1]=4 5409 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Amb25324265 [0,1,0,1,0,0|0,0,2]=4 5410 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Amb25929776 [0,1,0,1,0,0|0,0,2]=4 5411 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,1,0,1,0,0|1,0,0]=3 5412 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,1,0,1,0,0|1,0,0]=3 5413 B8R1.31 O=C(O)C1C=CC1Br Amb27220099 [0,1,0,1,0,0|1,0,0]=3 5414 B8R1.31 O=C(O)C1C=CC1O Amb27475863 [0,1,0,1,0,0|1,0,0]=3 5415 B8R1.31 O=C(O)C1CCC1Cl Amb27490061 [0,1,0,1,0,0|1,0,1]=4 5416 B8R1.31 O=C(O)C1CCC1F Amb27835547 [0,1,0,1,0,0|1,0,1]=4 5417 B8R1.31 O=C(O)C1CCC1O Amb24481384 [0,1,0,1,0,0|0,0,2]=4 5418 B8R1.31 O=C(O)C1CNC1=O Amb24524290 [0,1,0,1,0,0|0,0,0]=2 5419 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O Amb27619188 [0,1,0,1,0,0|0,0,2]=4 5420 B8R1.31 O=C(O)[C@@H]1CNC1=O Amb26452604 [0,1,0,1,0,0|0,0,0]=2 5421 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O Amb34913090 [0,1,0,1,0,0|0,0,2]=4 5422 B8R1.31 O=C(O)[C@H]1CNC1=O Amb34146450 [0,1,0,1,0,0|0,0,0]=2 5423 B8R1.31 [C@@H]1([C@@H](C)O)CNC1=O Amb17843592 [0,1,0,1,0,0|1,0,1]=4 5424 B8R1.34 O=C(O)CC1CCC1 Amb2696078 [0,1,0,1,0,0|1,0,1]=4 5425 B8R1.34 O=C(O)CC1CCN1 Amb25068427 [0,1,0,1,0,0|1,0,1]=4 5426 B8R1.34 O=C(O)CC1CCO1 Amb28136625 [0,1,0,1,0,0|0,0,2]=4 5427 B8R1.34 O=C(O)CC1CNC1 Amb21856240 [0,1,0,1,0,0|1,0,1]=4 5428 B8R1.34 O=C(O)CC1CNC1 Amb22057370 [0,1,0,1,0,0|1,0,1]=4 5429 B8R1.34 O=C(O)CC1CNC1 Amb22739043 [0,1,0,1,0,0|1,0,1]=4 5430 B8R1.34 O=C(O)CC1COC1 Amb18199145 [0,1,0,1,0,0|0,0,2]=4 5431 B8R1.34 O=C(O)CC1CSC1 Amb26049907 [0,1,0,1,0,0|0,1,1]=4 5432 B8R1.34 O=C(O)CN1CCC1 Amb28934892 [0,1,0,1,0,0|1,0,1]=4 5433 B8R1.34 O=C(O)C[C@@H]1CCO1 Amb33715997 [0,1,0,1,0,0|0,0,2]=4 5434 B8R1.34 O=C(O)C[C@H]1CCO1 Amb26570015 [0,1,0,1,0,0|0,0,2]=4 5435 B8R1.40 COC(=O)CC1CC1 Amb20622313 [0,1,0,1,0,0|1,0,1]=4 5436 B8R1.42 CC1(CC(=O)O)CC1 Amb33544283 [0,1,0,1,0,0|1,0,1]=4 5437 B8R1.42 CC1(CC(=O)O)N=N1 Amb27424155 [0,1,0,1,0,0|2,0,0]=4 5438 B8R1.42 NC1(CC(=O)O)CC1 Amb18833024 [0,1,0,1,0,0|1,0,1]=4 5439 B8R1.42 NC1(CC(=O)O)CC1 Amb33550832 [0,1,0,1,0,0|1,0,1]=4 5440 B8R1.42 O=C(O)CC1(Br)CC1 Amb27261767 [0,1,0,1,0,0|1,0,1]=4 5441 B8R1.42 O=C(O)CC1(Cl)CC1 Amb35743975 [0,1,0,1,0,0|1,0,1]=4 5442 B8R1.42 O=C(O)CC1(F)CC1 Amb28434812 [0,1,0,1,0,0|1,0,1]=4 5443 B8R1.42 O=C(O)CC1(O)CC1 Amb24117238 [0,1,0,1,0,0|1,0,1]=4 5444 B8R1.43 C#CC1CC1C(=O)O Amb27398329 [0,1,0,1,0,0|1,0,1]=4 5445 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O Amb24076488 [0,1,0,1,0,0|1,0,1]=4 5446 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O Amb28073511 [0,1,0,1,0,0|1,0,1]=4 5447 B8R1.43 C=CC1CC1C(C)=O Amb28075229 [0,1,0,1,0,0|2,0,0]=4 5448 B8R1.43 C=CC1OC1C(C)=O Amb28133068 [0,1,0,1,0,0|2,0,0]=4 5449 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O Amb28347448 [0,1,0,1,0,0|1,0,0]=3 5450 B8R1.43 C=C[C@@H]1C[C@H]1C(C)=O Amb27420181 [0,1,0,1,0,0|2,0,0]=4 5451 B8R1.43 CC(=O)C1CC1C=O Amb27809942 [0,1,0,1,0,0|1,0,0]=3 5452 B8R1.43 CC(=O)C1OC1C=O Amb27429116 [0,1,0,1,0,0|1,0,0]=3 5453 B8R1.43 CC(=O)[C@H]1C[C@H]1C=O Amb27186674 [0,1,0,1,0,0|1,0,0]=3 5454 B8R1.43 CCC1CC1C(=O)O Amb18961272 [0,1,0,1,0,0|1,0,1]=4 5455 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Amb24112910 [0,1,0,1,0,0|1,0,1]=4 5456 B8R1.43 CC[C@@H]1O[C@@H]1C(=O)O Amb27855470 [0,1,0,1,0,0|1,0,1]=4 5457 B8R1.43 CC[C@H]1C[C@H]1C(=O)O Amb33098417 [0,1,0,1,0,0|1,0,1]=4 5458 B8R1.43 CC[C@H]1O[C@@H]1C(=O)O Amb27811556 [0,1,0,1,0,0|1,0,1]=4 5459 B8R1.43 CC[C@H]1O[C@H]1C(=O)O Amb27222314 [0,1,0,1,0,0|1,0,1]=4 5460 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O Amb24514838 [0,1,0,1,0,0|0,0,2]=4 5461 B8R1.43 N#CC1CC1C(=O)O Amb24183452 [0,1,0,1,0,0|1,0,1]=4 5462 B8R1.43 N#C[C@@H]1C[C@@H]1C(=O)O Amb24183522 [0,1,0,1,0,0|1,0,1]=4 5463 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Amb24183456 [0,1,0,1,0,0|1,0,1]=4 5464 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O Amb33805321 [0,1,0,1,0,0|1,0,1]=4 5465 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Amb25168974 [0,1,0,1,0,0|1,0,1]=4 5466 B8R1.43 NCC1CC1C(=O)O Amb2694938 [0,1,0,1,0,0|1,0,1]=4 5467 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb24680970 [0,1,0,1,0,0|1,0,1]=4 5468 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb32992808 [0,1,0,1,0,0|1,0,1]=4 5469 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Amb27205078 [0,1,0,1,0,0|1,0,1]=4 5470 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O Amb27252099 [0,1,0,1,0,0|1,0,1]=4 5471 B8R1.43 NC[C@H]1C[C@H]1C(=O)O Amb28069146 [0,1,0,1,0,0|1,0,1]=4 5472 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,1,0,1,0,0|1,0,1]=4 5473 B8R1.43 O=C(O)C1CC1CBr Amb27407770 [0,1,0,1,0,0|1,0,1]=4 5474 B8R1.43 O=C(O)C1CC1CCl Amb26895220 [0,1,0,1,0,0|1,0,1]=4 5475 B8R1.43 O=C(O)C1CC1CO Amb25173469 [0,1,0,1,0,0|0,0,2]=4 5476 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [0,1,0,1,0,0|0,0,2]=4 5477 B8R1.43 O=C(O)[C@@H]1C[C@H]1CBr Amb26552185 [0,1,0,1,0,0|1,0,1]=4 5478 B8R1.43 O=C(O)[C@@H]1C[C@H]1CF Amb33098414 [0,1,0,1,0,0|1,0,1]=4 5479 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [0,1,0,1,0,0|0,0,2]=4 5480 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [0,1,0,1,0,0|0,0,2]=4 5481 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Amb25911990 [0,1,0,1,0,0|0,0,0]=2 5482 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,1,0,1,0,0|1,0,1]=4 5483 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,1,0,1,0,0|1,0,1]=4 5484 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,1,0,1,0,0|2,0,0]=4 5485 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,1,0,1,0,0|1,0,1]=4 5486 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,1,0,1,0,0|1,0,1]=4 5487 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,1,0,1,0,0|1,0,0]=3 5488 B8R1.53 O=CC1CS(=O)(=O)C1 Amb26450645 [0,1,0,1,0,0|1,0,1]=4 5489 B8R1.62 C=CC1(C)CC(=O)C1 Amb28200651 [0,1,0,1,0,0|2,0,0]=4 5490 B8R1.62 C=CC1(C)CC(=O)N1 Amb24347816 [0,1,0,1,0,0|2,0,0]=4 5491 B8R1.62 C=C[C@]1(C)CC(=O)N1 Amb27793340 [0,1,0,1,0,0|2,0,0]=4 5492 B8R1.62 O=C1CC(Cl)(CCl)O1 Amb27493123 [0,1,0,1,0,0|1,0,1]=4 5493 B8R1.67 C=C1C(C)C1C(=O)O Amb27985954 [0,1,0,1,0,0|1,0,0]=3 5494 B8R1.67 C=C1C(C)C1C(C)=O Amb26887809 [0,1,0,1,0,0|2,0,0]=4 5495 B8R1.67 CC1C(Cl)C1C(=O)O Amb32656377 [0,1,0,1,0,0|1,0,1]=4 5496 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C Amb25937319 [0,1,0,1,0,0|1,0,1]=4 5497 B8R1.67 C[C@@H]1[C@@H](N)[C@@H]1C(=O)O Amb28365983 [0,1,0,1,0,0|1,0,1]=4 5498 B8R1.67 O=C(O)C1C(Cl)C1Cl Amb25918156 [0,1,0,1,0,0|1,0,1]=4 5499 B8R1.83 C=C1CC1C(=O)OC Amb28284472 [0,1,0,1,0,0|1,0,0]=3 5500 B8R1.83 COC(=O)C1CC1Br Amb27864121 [0,1,0,1,0,0|1,0,1]=4 5501 B8R1.83 COC(=O)C1CC1C Amb9241819 [0,1,0,1,0,0|1,0,1]=4 5502 B8R1.83 COC(=O)[C@@H]1C[C@H]1C Amb27205901 [0,1,0,1,0,0|1,0,1]=4 5503 B8R1.83 COC(=O)[C@@H]1C[C@H]1F Amb28072373 [0,1,0,1,0,0|1,0,1]=4 5504 B8R1.2 O=CC1=CCC=CO1 Amb27437201 [0,1,0,1,0,0|1,0,1]=4 5505 B8R1.2 O=CC1CCC=CO1 Amb3939141 [0,1,0,1,0,0|1,0,1]=4 5506 B8R1.2 O=C[C@@H]1CCC=CO1 Amb28284610 [0,1,0,1,0,0|1,0,1]=4 5507 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,1,0,1,0,0|2,0,0]=4 5508 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,1,0,1,0,0|2,0,0]=4 5509 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,1,0,1,0,0|2,0,0]=4 5510 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,1,0,1,0,0|1,0,1]=4 5511 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,1,0,1,0,0|1,0,1]=4 5512 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,1,0,1,0,0|1,0,1]=4 5513 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,1,0,1,0,0|1,0,1]=4 5514 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,1,0,1,0,0|2,0,0]=4 5515 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,1,0,1,0,0|1,0,0]=3 5516 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,1,0,1,0,0|1,0,0]=3 5517 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,1,0,1,0,0|1,0,0]=3 5518 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,1,0,1,0,0|0,0,0]=2 5519 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,1,0,1,0,0|1,0,1]=4 5520 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,1,0,1,0,0|1,0,1]=4 5521 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,1,0,1,0,0|0,0,2]=4 5522 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,1,0,1,0,0|2,0,0]=4 5523 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,1,0,1,0,0|1,0,1]=4 5524 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,1,0,1,0,0|1,0,1]=4 5525 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,1,0,1,0,0|2,0,0]=4 5526 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,1,0,1,0,0|2,0,0]=4 5527 B8R1.3 O=C1CNC(=O)NN1 Amb27655538 [0,1,0,1,0,0|2,0,0]=4 5528 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,1,0,1,0,0|1,0,0]=3 5529 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,1,0,1,0,0|1,0,0]=3 5530 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,1,0,1,0,0|1,1,0]=4 5531 B8R1.5 CC1CC=CCC1=O Amb17593140 [0,1,0,1,0,0|2,0,0]=4 5532 B8R1.5 CC1CC=NNC1=O Amb22752103 [0,1,0,1,0,0|2,0,0]=4 5533 B8R1.5 CC1CCCOC1=O Amb26933974 [0,1,0,1,0,0|1,0,1]=4 5534 B8R1.5 O=C1C=CCCC1=O Amb28049024 [0,1,0,1,0,0|1,0,1]=4 5535 B8R1.5 O=C1C=CCCC1O Amb27165534 [0,1,0,1,0,0|1,0,1]=4 5536 B8R1.5 O=C1CC=CCC1Cl Amb27471139 [0,1,0,1,0,0|2,0,0]=4 5537 B8R1.5 O=C1CCCC=C1O Amb2699837 [0,1,0,1,0,0|1,0,1]=4 5538 B8R1.5 O=C1CCCCC1O Amb8390042 [0,1,0,1,0,0|1,0,1]=4 5539 B8R1.5 O=C1CCCC[C@@H]1O Amb28316212 [0,1,0,1,0,0|1,0,1]=4 5540 B8R1.5 O=C1CCNCC1O Amb24075970 [0,1,0,1,0,0|2,0,0]=4 5541 B8R1.5 O=C1CCNCC1O Amb27230548 [0,1,0,1,0,0|2,0,0]=4 5542 B8R1.5 O=C1CCNCN1O Amb24120639 [0,1,0,1,0,0|2,0,0]=4 5543 B8R1.5 O=C1CCOCC1O Amb26966688 [0,1,0,1,0,0|2,0,0]=4 5544 B8R1.5 O=C1CCSCC1O Amb27762936 [0,1,0,1,0,0|2,0,0]=4 5545 B8R1.5 O=C1CCSC[C@@H]1O Amb28316128 [0,1,0,1,0,0|2,0,0]=4 5546 B8R1.5 O=C1OCC=CC1O Amb27795928 [0,1,0,1,0,0|1,0,1]=4 5547 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,1,0,1,0,0|1,0,1]=4 5548 B8R1.5 O=C1OCCCC1Cl Amb28195106 [0,1,0,1,0,0|1,0,1]=4 5549 B8R1.5 O=C1OCCCC1O Amb19959000 [0,1,0,1,0,0|1,0,1]=4 5550 B8R1.9 C=C1CC1CCC=O Amb27256377 [0,1,0,1,0,0|2,0,0]=4 5551 B8R1.10 O=CCCC1=CCC1 Amb28130448 [0,1,0,1,0,0|2,0,0]=4 5552 B8R1.10 O=CCCC1CCO1 Amb28056173 [0,1,0,1,0,0|1,0,1]=4 5553 B8R1.13 C=CCC1CCC1=O Amb17593141 [0,1,0,1,0,0|2,0,0]=4 5554 B8R1.17 CC[C@@H]1O[C@H]1CC=O Amb27224841 [0,1,0,1,0,0|1,0,1]=4 5555 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [0,1,0,1,0,0|2,0,0]=4 5556 B8R1.22 O=C1CC=CCCC1 Amb24450177 [0,1,0,1,0,0|2,0,0]=4 5557 B8R1.22 O=C1CC=CCCN1 Amb27830230 [0,1,0,1,0,0|2,0,0]=4 5558 B8R1.22 O=C1CC=COCC1 Amb27835241 [0,1,0,1,0,0|2,0,0]=4 5559 B8R1.22 O=C1CCC=CCC1 Amb22230447 [0,1,0,1,0,0|2,0,0]=4 5560 B8R1.22 O=C1CCC=COC1 Amb27812549 [0,1,0,1,0,0|1,0,0]=3 5561 B8R1.22 O=C1CCCCCO1 Amb8513719 [0,1,0,1,0,0|1,0,1]=4 5562 B8R1.22 O=C1CCNCCO1 Amb27760600 [0,1,0,1,0,0|1,0,1]=4 5563 B8R1.22 O=C1CCOCOC1 Amb27434094 [0,1,0,1,0,0|2,0,0]=4 5564 B8R1.22 O=C1NCCCCO1 Amb27405440 [0,1,0,1,0,0|1,0,1]=4 5565 B8R1.22 O=C1OCCCCO1 Amb25350626 [0,1,0,1,0,0|1,0,1]=4 5566 B8R1.38 COC(=O)C1C=CC1 Amb33715996 [0,1,0,1,0,0|1,0,0]=3 5567 B8R1.38 COC(=O)C1CCC1 Amb6366581 [0,1,0,1,0,0|1,0,1]=4 5568 B8R1.38 COC(=O)C1CCN1 Amb2699142 [0,1,0,1,0,0|1,0,1]=4 5569 B8R1.38 COC(=O)C1CCN1 Amb33544519 [0,1,0,1,0,0|1,0,1]=4 5570 B8R1.38 COC(=O)C1CNC1 Amb10604008 [0,1,0,1,0,0|2,0,0]=4 5571 B8R1.38 COC(=O)C1CNC1 Amb13883580 [0,1,0,1,0,0|2,0,0]=4 5572 B8R1.38 COC(=O)C1COC1 Amb21961760 [0,1,0,1,0,0|2,0,0]=4 5573 B8R1.38 COC(=O)[C@@H]1CCN1 Amb19888362 [0,1,0,1,0,0|1,0,1]=4 5574 B8R1.38 COC(=O)[C@@H]1CCN1 Amb22405994 [0,1,0,1,0,0|1,0,1]=4 5575 B8R1.38 COC(=O)[C@H]1CCN1 Amb22737543 [0,1,0,1,0,0|1,0,1]=4 5576 B8R1.38 COC(=O)[C@H]1CCN1 Amb24694404 [0,1,0,1,0,0|1,0,1]=4 5577 B8R1.38 O=C(CO)C1CCC1 Amb28188903 [0,1,0,1,0,0|1,0,1]=4 5578 B8R1.38 O=C(NO)C1CCC1 Amb6265921 [0,1,0,1,0,0|1,0,1]=4 5579 B8R1.38 O=C(NO)C1CCN1 Amb27659056 [0,1,0,1,0,0|1,0,1]=4 5580 B8R1.46 C=CC1CC(=O)N1C Amb27239399 [0,1,0,1,0,0|2,0,0]=4 5581 B8R1.46 C=C[C@@H]1NC(=O)[C@@H]1O Amb27421682 [0,1,0,1,0,0|2,0,0]=4 5582 B8R1.46 C=C[C@@H]1NC(=O)[C@H]1C Amb28133657 [0,1,0,1,0,0|2,0,0]=4 5583 B8R1.46 O=C1C[C@H](CO)N1O Amb27833657 [0,1,0,1,0,0|0,0,2]=4 5584 B8R1.46 O=C1O[C@H](CO)[C@H]1O Amb27659903 [0,1,0,1,0,0|0,0,2]=4 5585 B8R1.47 COC1CC(C=O)C1 Amb26439325 [0,1,0,1,0,0|1,0,1]=4 5586 B8R1.47 O=CC1CC(C=O)C1 Amb26052184 [0,1,0,1,0,0|1,0,1]=4 5587 B8R1.50 CC1=C(Br)C(=O)CC1 Amb10067495 [0,1,0,1,0,0|2,0,0]=4 5588 B8R1.50 CC1=C(C)C(=O)CC1 Amb22351730 [0,1,0,1,0,0|2,0,0]=4 5589 B8R1.50 CC1=C(Cl)CCC1=O Amb27972997 [0,1,0,1,0,0|2,0,0]=4 5590 B8R1.50 CC1=C(O)C(=O)CC1 Amb4004294 [0,1,0,1,0,0|1,0,0]=3 5591 B8R1.50 CC1=C(O)C(=O)CO1 Amb8386149 [0,1,0,1,0,0|2,0,0]=4 5592 B8R1.50 CC1=C(O)C(=O)CS1 Amb27273133 [0,1,0,1,0,0|2,0,0]=4 5593 B8R1.50 CC1=C(O)C(=O)OC1 Amb23571854 [0,1,0,1,0,0|2,0,0]=4 5594 B8R1.50 CC1=C(O)C(=O)SC1 Amb24638526 [0,1,0,1,0,0|2,0,0]=4 5595 B8R1.50 CC1=C(O)COC1=O Amb2611869 [0,1,0,1,0,0|2,0,0]=4 5596 B8R1.50 CC1=CCC(=O)C1O Amb27828885 [0,1,0,1,0,0|1,0,1]=4 5597 B8R1.50 CC1C(=O)CCC1=O Amb974862 [0,1,0,1,0,0|1,0,0]=3 5598 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,1,0,1,0,0|2,0,0]=4 5599 B8R1.50 CC1CCC(=O)C1=O Amb4477353 [0,1,0,1,0,0|1,0,1]=4 5600 B8R1.50 CN1C(=O)CCC1=O Amb6368854 [0,1,0,1,0,0|1,0,0]=3 5601 B8R1.50 CN1C(=O)CCC1O Amb17615583 [0,1,0,1,0,0|1,0,1]=4 5602 B8R1.50 CN1C(=O)CNC1=O Amb22002559 [0,1,0,1,0,0|2,0,0]=4 5603 B8R1.50 CN1C(=O)COC1=O Amb21927685 [0,1,0,1,0,0|2,0,0]=4 5604 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,1,0,1,0,0|2,0,0]=4 5605 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [0,1,0,1,0,0|2,0,0]=4 5606 B8R1.50 C[C@@H]1C(=O)CC[C@@H]1O Amb28253966 [0,1,0,1,0,0|1,0,1]=4 5607 B8R1.50 NC1=C(O)CCC1=O Amb27203866 [0,1,0,1,0,0|1,0,0]=3 5608 B8R1.50 NC1=C(O)COC1=O Amb27830449 [0,1,0,1,0,0|2,0,0]=4 5609 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,1,0,1,0,0|1,0,0]=3 5610 B8R1.50 NN1C(=O)CCC1=O Amb24323275 [0,1,0,1,0,0|1,0,0]=3 5611 B8R1.50 NN1C(=O)CNC1=O Amb2795837 [0,1,0,1,0,0|2,0,0]=4 5612 B8R1.50 O=C1CCC(=O)C1Br Amb10975590 [0,1,0,1,0,0|1,0,0]=3 5613 B8R1.50 O=C1CCC(=O)C1Cl Amb27471835 [0,1,0,1,0,0|1,0,0]=3 5614 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [0,1,0,1,0,0|0,0,0]=2 5615 B8R1.50 O=C1CCC(=O)N1Br Amb2685488 [0,1,0,1,0,0|1,0,0]=3 5616 B8R1.50 O=C1CCC(=O)N1Cl Amb6609006 [0,1,0,1,0,0|1,0,0]=3 5617 B8R1.50 O=C1CCC(=O)N1I Amb2688884 [0,1,0,1,0,0|1,0,0]=3 5618 B8R1.50 O=C1CCC(=O)N1O Amb1152089 [0,1,0,1,0,0|0,0,0]=2 5619 B8R1.50 O=C1CCC(Br)=C1O Amb24677469 [0,1,0,1,0,0|1,0,0]=3 5620 B8R1.50 O=C1CCC(Cl)=C1Cl Amb27409520 [0,1,0,1,0,0|2,0,0]=4 5621 B8R1.50 O=C1CCC(Cl)=C1O Amb28316155 [0,1,0,1,0,0|1,0,0]=3 5622 B8R1.50 O=C1CCC(O)=C1Br Amb25205766 [0,1,0,1,0,0|1,0,0]=3 5623 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [0,1,0,1,0,0|0,0,1]=3 5624 B8R1.50 O=C1CCC(O)N1O Amb27214701 [0,1,0,1,0,0|0,0,2]=4 5625 B8R1.50 O=C1CC[C@H](O)[C@@H]1O Amb28253888 [0,1,0,1,0,0|0,0,2]=4 5626 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,1,0,1,0,0|2,0,0]=4 5627 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,1,0,1,0,0|2,0,0]=4 5628 B8R1.50 O=C1NCC(O)=C1O Amb27815039 [0,1,0,1,0,0|1,0,1]=4 5629 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [0,1,0,1,0,0|2,0,0]=4 5630 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [0,1,0,1,0,0|2,0,0]=4 5631 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [0,1,0,1,0,0|1,0,1]=4 5632 B8R1.58 CCC1(O)CCC1=O Amb28316131 [0,1,0,1,0,0|1,0,1]=4 5633 B8R1.58 C[C@@]1(CO)CCC1=O Amb27836789 [0,1,0,1,0,0|1,0,1]=4 5634 B8R1.58 C[C@]1(CO)CCC1=O Amb28066160 [0,1,0,1,0,0|1,0,1]=4 5635 B8R1.6 C=CCC1CC(=O)N1 Amb24453069 [0,1,0,1,0,0|2,0,0]=4 5636 B8R1.6 C=COC1CC(=O)N1 Amb27205076 [0,1,0,1,0,0|2,0,0]=4 5637 B8R1.6 O=C1C[C@@H](\C=C/Br)N1 Amb27228928 [0,1,0,1,0,0|2,0,0]=4 5638 B8R1.6 O=CC[C@@H]1CC(=O)N1 Amb27402326 [0,1,0,1,0,0|1,0,0]=3 5639 B8R1.7 CC(=O)C1CC=CN1 Amb26979687 [0,1,0,1,0,0|2,0,0]=4 5640 B8R1.7 CC(=O)C1CC=NO1 Amb27481847 [0,1,0,1,0,0|1,0,1]=4 5641 B8R1.7 CC(=O)C1CCC=N1 Amb22496787 [0,1,0,1,0,0|2,0,0]=4 5642 B8R1.7 NC(=O)C1C=CCC1 Amb25063981 [0,1,0,1,0,0|2,0,0]=4 5643 B8R1.7 NC(=O)C1C=CCN1 Amb27246432 [0,1,0,1,0,0|2,0,0]=4 5644 B8R1.7 NC(=O)C1CC=CC1 Amb10068010 [0,1,0,1,0,0|2,0,0]=4 5645 B8R1.7 NC(=O)N1C=CCC1 Amb27216170 [0,1,0,1,0,0|2,0,0]=4 5646 B8R1.7 NC(=O)N1CCC=N1 Amb27839165 [0,1,0,1,0,0|2,0,0]=4 5647 B8R1.7 O=C(Cl)C1CC=CC1 Amb24371090 [0,1,0,1,0,0|2,0,0]=4 5648 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [0,1,0,1,0,0|1,0,1]=4 5649 B8R1.7 O=C(O)C1=COCC1 Amb18124248 [0,1,0,1,0,0|2,0,0]=4 5650 B8R1.7 O=C(O)C1=NOCC1 Amb24353499 [0,1,0,1,0,0|2,0,0]=4 5651 B8R1.7 O=C(O)C1C=CCC1 Amb18641680 [0,1,0,1,0,0|1,0,0]=3 5652 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [0,1,0,1,0,0|1,0,0]=3 5653 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [0,1,0,1,0,0|1,0,0]=3 5654 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [0,1,0,1,0,0|1,0,0]=3 5655 B8R1.7 O=C(O)C1CC=CC1 Amb2694750 [0,1,0,1,0,0|1,0,0]=3 5656 B8R1.7 O=C(O)C1CC=NN1 Amb18641765 [0,1,0,1,0,0|1,0,0]=3 5657 B8R1.7 O=C(O)C1CC=NO1 Amb27216537 [0,1,0,1,0,0|0,0,1]=3 5658 B8R1.7 O=C(O)C1CCC=N1 Amb27849168 [0,1,0,1,0,0|1,0,0]=3 5659 B8R1.7 O=C(O)C1CCCC1 Amb3939849 [0,1,0,1,0,0|1,0,1]=4 5660 B8R1.7 O=C(O)C1CCCN1 Amb1157517 [0,1,0,1,0,0|1,0,1]=4 5661 B8R1.7 O=C(O)C1CCCN1 Amb22040086 [0,1,0,1,0,0|1,0,1]=4 5662 B8R1.7 O=C(O)C1CCCO1 Amb9702828 [0,1,0,1,0,0|0,0,2]=4 5663 B8R1.7 O=C(O)C1CCCS1 Amb18124363 [0,1,0,1,0,0|0,1,1]=4 5664 B8R1.7 O=C(O)C1CCNC1 Amb16230724 [0,1,0,1,0,0|1,0,1]=4 5665 B8R1.7 O=C(O)C1CCNC1 Amb16233446 [0,1,0,1,0,0|1,0,1]=4 5666 B8R1.7 O=C(O)C1CCNC1 Amb2694866 [0,1,0,1,0,0|1,0,1]=4 5667 B8R1.7 O=C(O)C1CCNO1 Amb28205451 [0,1,0,1,0,0|0,0,2]=4 5668 B8R1.7 O=C(O)C1CCNO1 Amb33329025 [0,1,0,1,0,0|0,0,2]=4 5669 B8R1.7 O=C(O)C1CCOC1 Amb33542759 [0,1,0,1,0,0|0,0,2]=4 5670 B8R1.7 O=C(O)C1CCSC1 Amb18124360 [0,1,0,1,0,0|0,1,1]=4 5671 B8R1.7 O=C(O)C1CCSS1 Amb8388097 [0,1,0,1,0,0|0,1,1]=4 5672 B8R1.7 O=C(O)C1CNCN1 Amb27597638 [0,1,0,1,0,0|1,0,1]=4 5673 B8R1.7 O=C(O)C1COC=N1 Amb28291372 [0,1,0,1,0,0|1,0,0]=3 5674 B8R1.7 O=C(O)C1COCN1 Amb2694915 [0,1,0,1,0,0|1,0,1]=4 5675 B8R1.7 O=C(O)C1COCN1 Amb2696354 [0,1,0,1,0,0|1,0,1]=4 5676 B8R1.7 O=C(O)C1COCO1 Amb27810510 [0,1,0,1,0,0|0,0,2]=4 5677 B8R1.7 O=C(O)C1CSCN1 Amb532947 [0,1,0,1,0,0|1,0,1]=4 5678 B8R1.7 O=C(O)C1CSSC1 Amb17593735 [0,1,0,1,0,0|1,1,0]=4 5679 B8R1.7 O=C(O)C1NCCS1 Amb2444644 [0,1,0,1,0,0|0,1,1]=4 5680 B8R1.7 O=C(O)C1OC=CS1 Amb27489874 [0,1,0,1,0,0|0,0,2]=4 5681 B8R1.7 O=C(O)C1OCCO1 Amb24349582 [0,1,0,1,0,0|0,0,2]=4 5682 B8R1.7 O=C(O)C1SCCS1 Amb20669087 [0,1,0,1,0,0|0,1,1]=4 5683 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [0,1,0,1,0,0|1,0,0]=3 5684 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [0,1,0,1,0,0|1,0,0]=3 5685 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb3940757 [0,1,0,1,0,0|1,0,1]=4 5686 B8R1.7 O=C(O)[C@@H]1CCCN1 Amb6754105 [0,1,0,1,0,0|1,0,1]=4 5687 B8R1.7 O=C(O)[C@@H]1CCCO1 Amb3940908 [0,1,0,1,0,0|0,0,2]=4 5688 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb6893875 [0,1,0,1,0,0|1,0,1]=4 5689 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb8630322 [0,1,0,1,0,0|1,0,1]=4 5690 B8R1.7 O=C(O)[C@@H]1CCOC1 Amb10603235 [0,1,0,1,0,0|0,0,2]=4 5691 B8R1.7 O=C(O)[C@@H]1CCON1 Amb26919409 [0,1,0,1,0,0|0,0,2]=4 5692 B8R1.7 O=C(O)[C@@H]1COCN1 Amb19515958 [0,1,0,1,0,0|1,0,1]=4 5693 B8R1.7 O=C(O)[C@@H]1CSC=N1 Amb35648199 [0,1,0,1,0,0|1,0,0]=3 5694 B8R1.7 O=C(O)[C@@H]1CSCN1 Amb3940400 [0,1,0,1,0,0|1,0,1]=4 5695 B8R1.7 O=C(O)[C@H]1C=CCC1 Amb27872028 [0,1,0,1,0,0|1,0,0]=3 5696 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [0,1,0,1,0,0|1,0,0]=3 5697 B8R1.7 O=C(O)[C@H]1CCC=N1 Amb28128325 [0,1,0,1,0,0|1,0,0]=3 5698 B8R1.7 O=C(O)[C@H]1CCCN1 Amb2720569 [0,1,0,1,0,0|1,0,1]=4 5699 B8R1.7 O=C(O)[C@H]1CCCO1 Amb3941554 [0,1,0,1,0,0|0,0,2]=4 5700 B8R1.7 O=C(O)[C@H]1CCNC1 Amb2700058 [0,1,0,1,0,0|1,0,1]=4 5701 B8R1.7 O=C(O)[C@H]1CCNC1 Amb6893874 [0,1,0,1,0,0|1,0,1]=4 5702 B8R1.7 O=C(O)[C@H]1CCOC1 Amb22226787 [0,1,0,1,0,0|0,0,2]=4 5703 B8R1.7 O=C(O)[C@H]1CCSC1 Amb28241390 [0,1,0,1,0,0|0,1,1]=4 5704 B8R1.7 O=C(O)[C@H]1CNCS1 Amb27414077 [0,1,0,1,0,0|0,1,1]=4 5705 B8R1.7 O=C(O)[C@H]1CSC=N1 Amb35641724 [0,1,0,1,0,0|1,0,0]=3 5706 B8R1.7 O=C(O)[C@H]1CSCN1 Amb544887 [0,1,0,1,0,0|1,0,1]=4 5707 B8R1.7 O=C(O)[C@H]1NCCS1 Amb25920370 [0,1,0,1,0,0|0,1,1]=4 5708 B8R1.7 O=C([O-])C1CCC=N1 Amb33624430 [0,1,0,1,0,0|1,0,1]=4 5709 B8R1.19 CC1(O)CCCC1=O Amb27749790 [0,1,0,1,0,0|1,0,1]=4 5710 B8R1.35 CC(=O)CCC1CO1 Amb28388031 [0,1,0,1,0,0|1,0,1]=4 5711 B8R1.35 NC(=O)CCC1CO1 Amb28252693 [0,1,0,1,0,0|1,0,1]=4 5712 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,1,0,1,0,0|1,0,0]=3 5713 B8R1.35 O=C(O)CCC1CC1 Amb2686667 [0,1,0,1,0,0|1,0,1]=4 5714 B8R1.35 O=C(O)CCC1CO1 Amb27667995 [0,1,0,1,0,0|0,0,2]=4 5715 B8R1.35 O=C(O)CNC1CC1 Amb7766401 [0,1,0,1,0,0|1,0,1]=4 5716 B8R1.35 O=C(O)CNC1CC1 Amb9677481 [0,1,0,1,0,0|1,0,1]=4 5717 B8R1.35 O=C(O)COC1CC1 Amb27214838 [0,1,0,1,0,0|1,0,1]=4 5718 B8R1.35 O=C(O)CSC1CC1 Amb6760620 [0,1,0,1,0,0|1,0,1]=4 5719 B8R1.36 O=CCCCC1CO1 Amb27643593 [0,1,0,1,0,0|1,0,1]=4 5720 B8R1.36 O=CCCC[C@H]1CO1 Amb28134306 [0,1,0,1,0,0|1,0,1]=4 5721 B8R1.23 C=C(C)C1CC(=O)N1 Amb27858929 [0,1,0,1,0,0|2,0,0]=4 5722 B8R1.23 C=C(C)[C@@H]1CC(=O)N1 Amb28251769 [0,1,0,1,0,0|2,0,0]=4 5723 B8R1.23 C=C1CC(C(=O)Cl)C1 Amb10071441 [0,1,0,1,0,0|2,0,0]=4 5724 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [0,1,0,1,0,0|1,0,0]=3 5725 B8R1.23 C=C1CC(C(C)=O)C1 Amb26547728 [0,1,0,1,0,0|2,0,0]=4 5726 B8R1.23 C=C1CC(C(N)=O)C1 Amb22896664 [0,1,0,1,0,0|2,0,0]=4 5727 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,1,0,1,0,0|2,0,0]=4 5728 B8R1.23 CC(=O)C1CC(=N)C1 Amb27636166 [0,1,0,1,0,0|2,0,0]=4 5729 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,1,0,1,0,0|1,0,1]=4 5730 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,1,0,1,0,0|2,0,0]=4 5731 B8R1.23 CC(Cl)C1CC(=O)O1 Amb27878702 [0,1,0,1,0,0|1,0,1]=4 5732 B8R1.23 CC(O)C1CC(=O)C1 Amb34159488 [0,1,0,1,0,0|1,0,1]=4 5733 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [0,1,0,1,0,0|1,0,1]=4 5734 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [0,1,0,1,0,0|1,0,1]=4 5735 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [0,1,0,1,0,0|1,0,1]=4 5736 B8R1.23 CN1CC(C(=O)O)C1 Amb19958116 [0,1,0,1,0,0|2,0,0]=4 5737 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [0,1,0,1,0,0|1,0,1]=4 5738 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [0,1,0,1,0,0|1,0,1]=4 5739 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [0,1,0,1,0,0|1,0,1]=4 5740 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [0,1,0,1,0,0|1,0,1]=4 5741 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [0,1,0,1,0,0|1,0,1]=4 5742 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [0,1,0,1,0,0|1,0,1]=4 5743 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [0,1,0,1,0,0|1,0,0]=3 5744 B8R1.23 NC1CC(C(=O)O)C1 Amb10610660 [0,1,0,1,0,0|1,0,1]=4 5745 B8R1.23 NC1CC(C(=O)O)C1 Amb33533143 [0,1,0,1,0,0|1,0,1]=4 5746 B8R1.23 NS(=O)C1CC(=O)C1 Amb32720658 [0,1,0,1,0,0|2,0,0]=4 5747 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb10604131 [0,1,0,1,0,0|1,0,1]=4 5748 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb6893769 [0,1,0,1,0,0|1,0,1]=4 5749 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb19514893 [0,1,0,1,0,0|1,0,1]=4 5750 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb33524058 [0,1,0,1,0,0|1,0,1]=4 5751 B8R1.23 O=C(O)C1CC(Br)C1 Amb25889305 [0,1,0,1,0,0|1,0,1]=4 5752 B8R1.23 O=C(O)C1CC(Cl)C1 Amb16233600 [0,1,0,1,0,0|1,0,1]=4 5753 B8R1.23 O=C(O)C1CC(F)C1 Amb20621267 [0,1,0,1,0,0|1,0,1]=4 5754 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [0,1,0,1,0,0|0,0,2]=4 5755 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [0,1,0,1,0,0|1,0,0]=3 5756 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 Amb35751665 [0,1,0,1,0,0|1,0,1]=4 5757 B8R1.23 O=C(O)[C@H]1C[C@@H](Cl)C1 Amb28119343 [0,1,0,1,0,0|1,0,1]=4 5758 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 Amb27974528 [0,1,0,1,0,0|1,0,1]=4 5759 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [0,1,0,1,0,0|0,0,2]=4 5760 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 Amb24339433 [0,1,0,1,0,0|1,0,1]=4 5761 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 Amb25883786 [0,1,0,1,0,0|1,0,1]=4 5762 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 Amb27883529 [0,1,0,1,0,0|1,0,1]=4 5763 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [0,1,0,1,0,0|0,0,2]=4 5764 B8R1.23 O=C1CC(C(=O)Cl)C1 Amb16230813 [0,1,0,1,0,0|1,0,0]=3 5765 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,1,0,1,0,0|0,0,0]=2 5766 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,1,0,1,0,0|0,0,0]=2 5767 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,1,0,1,0,0|0,0,0]=2 5768 B8R1.23 O=C1CC(C(Cl)Cl)O1 Amb27952844 [0,1,0,1,0,0|1,0,1]=4 5769 B8R1.23 O=C1CC(S(=O)Cl)C1 Amb32720949 [0,1,0,1,0,0|2,0,0]=4 5770 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [0,1,0,1,0,0|1,0,0]=3 5771 B8R1.23 O=C1CN(C(=O)Cl)C1 Amb32864114 [0,1,0,1,0,0|2,0,0]=4 5772 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,1,0,1,0,0|0,0,0]=2 5773 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,1,0,1,0,0|0,0,0]=2 5774 B8R1.30 C=C1CC1(C)C(C)=O Amb25913489 [0,1,0,1,0,0|2,0,0]=4 5775 B8R1.30 C=C1CC1(N)C(=O)O Amb22274582 [0,1,0,1,0,0|1,0,0]=3 5776 B8R1.30 CC1(C(=O)O)CC1Br Amb25889224 [0,1,0,1,0,0|1,0,1]=4 5777 B8R1.30 CC1(C(=O)O)CC1Cl Amb28325885 [0,1,0,1,0,0|1,0,1]=4 5778 B8R1.30 CC1(C(=O)O)CC1F Amb24445672 [0,1,0,1,0,0|1,0,1]=4 5779 B8R1.30 CC1CC1(C)C(=O)O Amb28456906 [0,1,0,1,0,0|1,0,1]=4 5780 B8R1.30 CC1CC1(F)C(=O)O Amb32679974 [0,1,0,1,0,0|1,0,1]=4 5781 B8R1.30 CC1CC1(N)C(=O)O Amb26066646 [0,1,0,1,0,0|1,0,1]=4 5782 B8R1.30 C[C@@H]1C[C@@]1(C)C(=O)O Amb24680945 [0,1,0,1,0,0|1,0,1]=4 5783 B8R1.30 C[C@@H]1C[C@@]1(O)C(=O)O Amb28133921 [0,1,0,1,0,0|1,0,1]=4 5784 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1Cl Amb28134278 [0,1,0,1,0,0|1,0,1]=4 5785 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1F Amb24053139 [0,1,0,1,0,0|1,0,1]=4 5786 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Br Amb27222642 [0,1,0,1,0,0|1,0,1]=4 5787 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Cl Amb28196682 [0,1,0,1,0,0|1,0,1]=4 5788 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1F Amb26656665 [0,1,0,1,0,0|1,0,1]=4 5789 B8R1.30 C[C@H]1C[C@@]1(C)C(=O)O Amb27789627 [0,1,0,1,0,0|1,0,1]=4 5790 B8R1.30 C[C@H]1C[C@@]1(Cl)C(=O)O Amb28286348 [0,1,0,1,0,0|1,0,1]=4 5791 B8R1.30 C[C@H]1C[C@]1(N)C(=O)O Amb27873946 [0,1,0,1,0,0|1,0,1]=4 5792 B8R1.30 C[C@H]1C[C@]1(O)C(=O)O Amb27881113 [0,1,0,1,0,0|1,0,1]=4 5793 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F Amb26987734 [0,1,0,1,0,0|1,0,1]=4 5794 B8R1.30 C[C@]1(C(=O)O)C[C@H]1F Amb26870422 [0,1,0,1,0,0|1,0,1]=4 5795 B8R1.30 NC1(C(=O)O)CC1Br Amb27430541 [0,1,0,1,0,0|1,0,1]=4 5796 B8R1.30 NC1(C(=O)O)CC1Cl Amb27596928 [0,1,0,1,0,0|1,0,1]=4 5797 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Br Amb28411230 [0,1,0,1,0,0|1,0,1]=4 5798 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Cl Amb25245700 [0,1,0,1,0,0|1,0,1]=4 5799 B8R1.30 N[C@@]1(C(=O)O)C[C@H]1Cl Amb28436769 [0,1,0,1,0,0|1,0,1]=4 5800 B8R1.30 N[C@]1(C(=O)O)C[C@@H]1Cl Amb26587370 [0,1,0,1,0,0|1,0,1]=4 5801 B8R1.30 N[C@]1(C(=O)O)C[C@H]1Cl Amb22748908 [0,1,0,1,0,0|1,0,1]=4 5802 B8R1.54 CC(C(=O)O)C1CC1 Amb33537630 [0,1,0,1,0,0|1,0,1]=4 5803 B8R1.54 C[C@@H](C(=O)O)C1CC1 Amb33732043 [0,1,0,1,0,0|1,0,1]=4 5804 B8R1.54 C[C@H](C(=O)O)C1CC1 Amb33744363 [0,1,0,1,0,0|1,0,1]=4 5805 B8R1.54 NC(C(=O)O)C1CC1 Amb19515010 [0,1,0,1,0,0|1,0,1]=4 5806 B8R1.54 NC(C(=O)O)C1CC1 Amb2696737 [0,1,0,1,0,0|1,0,1]=4 5807 B8R1.54 N[C@@H](C(=O)O)C1CC1 Amb2699141 [0,1,0,1,0,0|1,0,1]=4 5808 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb19929447 [0,1,0,1,0,0|1,0,1]=4 5809 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb2694840 [0,1,0,1,0,0|1,0,1]=4 5810 B8R1.54 O=C(O)C(F)C1CC1 Amb25936979 [0,1,0,1,0,0|1,0,1]=4 5811 B8R1.54 O=C(O)C(O)C1CC1 Amb18282441 [0,1,0,1,0,0|1,0,1]=4 5812 B8R1.78 CC1(C(=O)O)CCC1 Amb33544631 [0,1,0,1,0,0|1,0,1]=4 5813 B8R1.78 CC1(C(=O)O)CCN1 Amb24483061 [0,1,0,1,0,0|1,0,1]=4 5814 B8R1.78 CC1(C(=O)O)CCN1 Amb33483840 [0,1,0,1,0,0|1,0,1]=4 5815 B8R1.78 CC1(C(=O)O)CCN1 Amb34138205 [0,1,0,1,0,0|1,0,1]=4 5816 B8R1.78 CC1(C(=O)O)CCO1 Amb22001906 [0,1,0,1,0,0|0,0,2]=4 5817 B8R1.78 CC1(C(=O)O)CNC1 Amb24077476 [0,1,0,1,0,0|2,0,0]=4 5818 B8R1.78 CC1(C(=O)O)CNC1 Amb24561978 [0,1,0,1,0,0|2,0,0]=4 5819 B8R1.78 CC1(C(=O)O)COC1 Amb33543882 [0,1,0,1,0,0|2,0,0]=4 5820 B8R1.78 CC1(C(=O)O)CSC1 Amb21960451 [0,1,0,1,0,0|2,0,0]=4 5821 B8R1.78 NC1(C(=O)O)CCC1 Amb2694933 [0,1,0,1,0,0|1,0,1]=4 5822 B8R1.78 NC1(C(=O)O)CCC1 Amb8630070 [0,1,0,1,0,0|1,0,1]=4 5823 B8R1.78 NC1(C(=O)O)CNC1 Amb19895006 [0,1,0,1,0,0|2,0,0]=4 5824 B8R1.78 NC1(C(=O)O)CNC1 Amb21960937 [0,1,0,1,0,0|2,0,0]=4 5825 B8R1.78 NC1(C(=O)O)COC1 Amb18199133 [0,1,0,1,0,0|2,0,0]=4 5826 B8R1.78 NC1(C(=O)O)COC1 Amb33109883 [0,1,0,1,0,0|2,0,0]=4 5827 B8R1.78 NC1(C(=O)O)CSC1 Amb21927718 [0,1,0,1,0,0|2,0,0]=4 5828 B8R1.78 O=C(O)C1(Br)CCC1 Amb495556 [0,1,0,1,0,0|1,0,1]=4 5829 B8R1.78 O=C(O)C1(Cl)CCC1 Amb24422884 [0,1,0,1,0,0|1,0,1]=4 5830 B8R1.78 O=C(O)C1(F)CCC1 Amb22886536 [0,1,0,1,0,0|1,0,1]=4 5831 B8R1.78 O=C(O)C1(F)CNC1 Amb23440120 [0,1,0,1,0,0|2,0,0]=4 5832 B8R1.78 O=C(O)C1(O)CCC1 Amb495557 [0,1,0,1,0,0|1,0,1]=4 5833 B8R1.78 O=C(O)C1(O)CNC1 Amb24122891 [0,1,0,1,0,0|2,0,0]=4 5834 B8R1.78 O=C(O)C1(O)CNC1 Amb28934838 [0,1,0,1,0,0|2,0,0]=4 5835 B8R1.78 O=C(O)C1(O)COC1 Amb25714262 [0,1,0,1,0,0|2,0,0]=4 5836 B8R1.78 O=C(O)C1(S)CCC1 Amb34159631 [0,1,0,1,0,0|1,0,1]=4 5837 B8R1.77 CC(=O)C1CC1(C)O Amb27963572 [0,1,0,1,0,0|1,0,1]=4 5838 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [0,1,0,1,0,0|1,0,1]=4 5839 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [0,1,0,1,0,0|1,0,1]=4 5840 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [0,1,0,1,0,0|1,0,1]=4 5841 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [0,1,0,1,0,0|1,0,1]=4 5842 B8R1.77 O=C(O)C1CC1(Cl)Cl Amb1106460 [0,1,0,1,0,0|1,0,1]=4 5843 B8R1.77 O=C(O)C1CC1(F)Br Amb25952257 [0,1,0,1,0,0|1,0,1]=4 5844 B8R1.77 O=C(O)C1CC1(F)Cl Amb10841879 [0,1,0,1,0,0|1,0,1]=4 5845 B8R1.77 O=C(O)C1CC1(F)F Amb2691845 [0,1,0,1,0,0|1,0,1]=4 5846 B8R1.77 O=C(O)[C@@H]1CC1(F)F Amb30869365 [0,1,0,1,0,0|1,0,1]=4 5847 B8R1.77 O=C(O)[C@@H]1C[C@@]1(F)Cl Amb28252683 [0,1,0,1,0,0|1,0,1]=4 5848 B8R1.77 O=C(O)[C@H]1CC1(Cl)Cl Amb27444143 [0,1,0,1,0,0|1,0,1]=4 5849 B8R1.77 O=C(O)[C@H]1CC1(F)F Amb33802940 [0,1,0,1,0,0|1,0,1]=4 5850 B8R2.18 O=C1CC2OC2C1 Amb25050255 [0,0,0,2,0,0|1,0,1]=4 5851 B8R2.38 O=C1CCC2OC12 Amb28141441 [0,0,0,2,0,0|1,0,1]=4 5852 B8R2.38 O=C1OCC2CC12 Amb24113373 [0,0,0,2,0,0|1,0,1]=4 5853 B8R2.38 O=C1OC[C@H]2C[C@@H]12 Amb27421949 [0,0,0,2,0,0|1,0,1]=4 5854 B8R2.5 O=C1N[C@@H]2C=C[C@H]12 Amb25174979 [0,0,0,2,0,0|2,0,0]=4 5855 B8R2.66 O=C(O)C12CC1C2 Amb24732235 [0,0,0,2,0,0|1,0,1]=4