0 B7R1.4 C=C1CCCC1Br Amb24634099 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 C=C1CCCC1O Amb25045562 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 C=C1CCC[C@@H]1O Amb24642468 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 C=C1COCC1O Amb24423437 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 CC1=CCCC1Br Amb25279491 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 CC1=CCCC1Cl Amb25139325 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CC1=CCCC1O Amb25220686 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 CC1=CCC[C@@H]1O Amb24506387 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CC1=CSNC1=O Amb24480941 [0,0,0,0,0,0|1,1,2]=4 9 B7R1.4 CC1=NONC1=N Amb22081472 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 CC1=NSNC1=O Amb24352647 [0,0,0,0,0,0|2,1,1]=4 11 B7R1.4 CC1C=CCC1=O Amb25233761 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.4 CC1C=NNC1=O Amb22232312 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.4 CC1CC=CC1=O Amb25143468 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CC1CCC=C1C Amb24479857 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.4 CC1CCCC1=C Amb25066862 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 CC1CCCC1N Amb19373269 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.4 CC1CCN=C1C Amb24411616 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 CC1CCNC1C Amb18277375 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 CC1CCNC1C Amb20623813 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.4 CC1CCSC1=O Amb25271791 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.4 CC1CNCC1N Amb24070522 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.4 CC1COCC1=C Amb25830669 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CC1COCC1=O Amb24333426 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.4 CC1CSCC1=O Amb21964769 [0,0,0,0,0,0|2,1,0]=3 25 B7R1.4 CC1CSCC1N Amb18202602 [0,0,0,0,0,0|2,1,1]=4 26 B7R1.4 CC1CSSC1=O Amb25757909 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.4 CC1N=CNC1=O Amb25351847 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 CC1N=COC1=O Amb24518855 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 CC1NCOC1=O Amb24409631 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 CC1OCCC1N Amb22058722 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.4 CC1O[Ag]OC1=O Amb22352183 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CC1SCCC1N Amb20623835 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.4 CC1SCOC1=O Amb25347819 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.4 CC=1COCC1C Amb25294665 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.4 CN1C=CNC1=O Amb20622459 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.4 CN1CC=CC1=O Amb22372248 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.4 CN1CCCC1=O Amb22493780 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.4 CN1CCOC1=O Amb22347786 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.4 CN1N=NNC1=O Amb22757905 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.4 C[C@@H]1CCC[C@@H]1N Amb22886234 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.4 C[C@@H]1CCC[C@@H]1N Amb24540316 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.4 C[C@@H]1CCNC1=O Amb22748230 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.4 C[C@@H]1CCN[C@@H]1C Amb24117059 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.4 C[C@@H]1CCN[C@H]1C Amb24515067 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.4 C[C@@H]1COC[C@@H]1N Amb25766097 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.4 C[C@@H]1COC[C@@H]1O Amb22886816 [0,0,0,0,0,0|2,0,2]=4 47 B7R1.4 C[C@@H]1COC[C@H]1N Amb24353575 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.4 C[C@@H]1COC[C@H]1O Amb22886616 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.4 C[C@@H]1CSC[C@H]1N Amb25339505 [0,0,0,0,0,0|2,1,1]=4 50 B7R1.4 C[C@@H]1NCCC1=O Amb18197575 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.4 C[C@@H]1NCCC1N Amb18202992 [0,0,0,0,0,0|2,0,1]=3 52 B7R1.4 C[C@@H]1NCCC1O Amb18202778 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.4 C[C@@H]1NCC[C@@H]1O Amb24425021 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.4 C[C@@H]1NCOC1=O Amb25273957 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.4 C[C@@H]1OCCC1=O Amb24728733 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb22886254 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb24629226 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.4 C[C@@H]1OCNC1=O Amb25115508 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.4 C[C@@H]1SCC[C@@H]1N Amb25201157 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.4 C[C@@H]1SCC[C@H]1N Amb25265262 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.4 C[C@H]1CC=CC1=O Amb24364068 [0,0,0,0,0,0|3,0,0]=3 62 B7R1.4 C[C@H]1CNC[C@@H]1N Amb24614981 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.4 C[C@H]1CNC[C@H]1N Amb25174297 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.4 C[C@H]1COC[C@@H]1O Amb24609705 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.4 C[C@H]1NCC[C@H]1O Amb25810947 [0,0,0,0,0,0|3,0,1]=4 66 B7R1.4 C[C@H]1OCCC1=O Amb25811510 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.4 C[C@H]1OCC[C@@H]1N Amb24515056 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.4 C[C@H]1OCC[C@H]1N Amb25174385 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.4 Cc1[nH]c[n]c1N Amb18120727 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.4 Cc1[nH]ccc1N Amb18198050 [0,0,0,0,0,0|2,0,2]=4 71 B7R1.4 Cc1[n]occ1N Amb22235025 [0,0,0,0,0,0|1,0,3]=4 72 B7R1.4 Cc1[n]occ1N Amb22494732 [0,0,0,0,0,0|1,0,3]=4 73 B7R1.4 Cc1co[n]c1N Amb18278180 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.4 ClC1COCC1Br Amb25258047 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.4 ClC1COCC1Cl Amb25250434 [0,0,0,0,0,0|3,0,1]=4 76 B7R1.4 Cl[C@@H]1COC[C@@H]1Cl Amb25145546 [0,0,0,0,0,0|3,0,1]=4 77 B7R1.4 NC1=CCOC1=O Amb22234102 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.4 NC1=CNNC1=O Amb24120355 [0,0,0,0,0,0|1,0,2]=3 79 B7R1.4 NC1=CONC1=O Amb18203033 [0,0,0,0,0,0|0,0,2]=2 80 B7R1.4 NC1=CSSC1=O Amb25303597 [0,0,0,0,0,0|1,1,2]=4 81 B7R1.4 NC1=NCCC1Br Amb24478948 [0,0,0,0,0,0|3,0,1]=4 82 B7R1.4 NC1=NCCN1N Amb24713156 [0,0,0,0,0,0|3,0,1]=4 83 B7R1.4 NC1C=NNC1=O Amb18202634 [0,0,0,0,0,0|1,0,1]=2 84 B7R1.4 NC1CCCC1=O Amb17939050 [0,0,0,0,0,0|2,0,0]=2 85 B7R1.4 NC1CCCC1Br Amb20667786 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.4 NC1CCCC1Br Amb24691577 [0,0,0,0,0,0|3,0,1]=4 87 B7R1.4 NC1CCCC1F Amb23538754 [0,0,0,0,0,0|3,0,1]=4 88 B7R1.4 NC1CCCC1N Amb18639642 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.4 NC1CCCC1S Amb18641940 [0,0,0,0,0,0|2,1,1]=4 90 B7R1.4 NC1CCNC1=O Amb21955321 [0,0,0,0,0,0|1,0,0]=1 91 B7R1.4 NC1CCOC1=O Amb22233082 [0,0,0,0,0,0|2,0,0]=2 92 B7R1.4 NC1CNCC1O Amb22235661 [0,0,0,0,0,0|2,0,2]=4 93 B7R1.4 NC1CNCC1O Amb22497199 [0,0,0,0,0,0|2,0,2]=4 94 B7R1.4 NC1COCC1Br Amb24369528 [0,0,0,0,0,0|2,0,1]=3 95 B7R1.4 NC1COCC1N Amb23590778 [0,0,0,0,0,0|2,0,1]=3 96 B7R1.4 NC1COCC1O Amb18277417 [0,0,0,0,0,0|1,0,2]=3 97 B7R1.4 NC1COCC1O Amb19515137 [0,0,0,0,0,0|1,0,2]=3 98 B7R1.4 NC1CONC1=O Amb1865548 [0,0,0,0,0,0|0,0,0]=0 99 B7R1.4 NC1CONC1O Amb24571000 [0,0,0,0,0,0|0,0,2]=2 100 B7R1.4 NC1CSCC1=O Amb18202693 [0,0,0,0,0,0|1,1,0]=2 101 B7R1.4 NC1CSCC1N Amb17593005 [0,0,0,0,0,0|2,1,1]=4 102 B7R1.4 NC1N=CNC1=O Amb25195540 [0,0,0,0,0,0|2,0,0]=2 103 B7R1.4 NC1NOCC1=O Amb25811419 [0,0,0,0,0,0|2,0,0]=2 104 B7R1.4 NN1C=CNC1=O Amb25084441 [0,0,0,0,0,0|2,0,1]=3 105 B7R1.4 NN1C=COC1=O Amb24626105 [0,0,0,0,0,0|3,0,1]=4 106 B7R1.4 NN1C=NNC1=O Amb18548408 [0,0,0,0,0,0|2,0,1]=3 107 B7R1.4 NN1C=NNC1=S Amb18221777 [0,0,0,0,0,0|2,1,1]=4 108 B7R1.4 NN1CCNC1=S Amb22436481 [0,0,0,0,0,0|2,1,0]=3 109 B7R1.4 NN1N=NNC1=O Amb22360352 [0,0,0,0,0,0|3,0,0]=3 110 B7R1.4 NN=1C=NNC1S Amb24185234 [0,0,0,0,0,0|2,1,1]=4 111 B7R1.4 N[C@@H]1CCCC1Cl Amb24710762 [0,0,0,0,0,0|3,0,1]=4 112 B7R1.4 N[C@@H]1CCCC1O Amb24347806 [0,0,0,0,0,0|2,0,2]=4 113 B7R1.4 N[C@@H]1CCC[C@@H]1F Amb25174659 [0,0,0,0,0,0|3,0,1]=4 114 B7R1.4 N[C@@H]1CCC[C@H]1Br Amb24612101 [0,0,0,0,0,0|3,0,1]=4 115 B7R1.4 N[C@@H]1CCC[C@H]1N Amb16231433 [0,0,0,0,0,0|3,0,1]=4 116 B7R1.4 N[C@@H]1CCC[C@H]1N Amb22748826 [0,0,0,0,0,0|3,0,1]=4 117 B7R1.4 N[C@@H]1CCNC1=O Amb19515791 [0,0,0,0,0,0|1,0,0]=1 118 B7R1.4 N[C@@H]1CCNC1=O Amb22745816 [0,0,0,0,0,0|1,0,0]=1 119 B7R1.4 N[C@@H]1CCOC1=O Amb22745863 [0,0,0,0,0,0|2,0,0]=2 120 B7R1.4 N[C@@H]1CCSC1=O Amb22745304 [0,0,0,0,0,0|2,0,0]=2 121 B7R1.4 N[C@@H]1CCSC1=O Amb22750668 [0,0,0,0,0,0|2,0,0]=2 122 B7R1.4 N[C@@H]1CNC[C@@H]1N Amb25201944 [0,0,0,0,0,0|3,0,1]=4 123 B7R1.4 N[C@@H]1CNC[C@H]1F Amb25302337 [0,0,0,0,0,0|3,0,1]=4 124 B7R1.4 N[C@@H]1CNC[C@H]1N Amb24620889 [0,0,0,0,0,0|3,0,1]=4 125 B7R1.4 N[C@@H]1CNC[C@H]1O Amb24604330 [0,0,0,0,0,0|2,0,2]=4 126 B7R1.4 N[C@@H]1COC[C@@H]1N Amb19515126 [0,0,0,0,0,0|2,0,1]=3 127 B7R1.4 N[C@@H]1COC[C@@H]1N Amb22802084 [0,0,0,0,0,0|2,0,1]=3 128 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22748842 [0,0,0,0,0,0|1,0,2]=3 129 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22754535 [0,0,0,0,0,0|1,0,2]=3 130 B7R1.4 N[C@@H]1COC[C@H]1N Amb22231694 [0,0,0,0,0,0|2,0,1]=3 131 B7R1.4 N[C@@H]1COC[C@H]1N Amb22802083 [0,0,0,0,0,0|2,0,1]=3 132 B7R1.4 N[C@@H]1COC[C@H]1O Amb17933202 [0,0,0,0,0,0|1,0,2]=3 133 B7R1.4 N[C@@H]1COC[C@H]1O Amb22746728 [0,0,0,0,0,0|1,0,2]=3 134 B7R1.4 N[C@@H]1COC[C@H]1O Amb24107553 [0,0,0,0,0,0|1,0,2]=3 135 B7R1.4 N[C@@H]1CSC[C@@H]1O Amb23482790 [0,0,0,0,0,0|1,1,2]=4 136 B7R1.4 N[C@@H]1CSC[C@H]1N Amb24669644 [0,0,0,0,0,0|2,1,1]=4 137 B7R1.4 N[C@H]1C=COC1=O Amb25259750 [0,0,0,0,0,0|2,0,1]=3 138 B7R1.4 N[C@H]1C=NC[C@@H]1N Amb25258941 [0,0,0,0,0,0|3,0,1]=4 139 B7R1.4 N[C@H]1CCC[C@@H]1N Amb16231434 [0,0,0,0,0,0|3,0,1]=4 140 B7R1.4 N[C@H]1CCC[C@H]1Cl Amb24578417 [0,0,0,0,0,0|3,0,1]=4 141 B7R1.4 N[C@H]1CCNC1=O Amb19887769 [0,0,0,0,0,0|1,0,0]=1 142 B7R1.4 N[C@H]1CCNC1=O Amb23385346 [0,0,0,0,0,0|1,0,0]=1 143 B7R1.4 N[C@H]1CCSC1=O Amb22362833 [0,0,0,0,0,0|2,0,0]=2 144 B7R1.4 N[C@H]1CNC[C@@H]1N Amb25326940 [0,0,0,0,0,0|3,0,1]=4 145 B7R1.4 N[C@H]1CNC[C@@H]1O Amb25187848 [0,0,0,0,0,0|2,0,2]=4 146 B7R1.4 N[C@H]1CNC[C@H]1F Amb24586434 [0,0,0,0,0,0|3,0,1]=4 147 B7R1.4 N[C@H]1COC[C@@H]1O Amb22224915 [0,0,0,0,0,0|1,0,2]=3 148 B7R1.4 N[C@H]1COC[C@H]1O Amb25259808 [0,0,0,0,0,0|1,0,2]=3 149 B7R1.4 N[C@H]1CONC1O Amb24332118 [0,0,0,0,0,0|0,0,2]=2 150 B7R1.4 N[C@H]1CSC[C@H]1O Amb25324268 [0,0,0,0,0,0|1,1,2]=4 151 B7R1.4 Nc1[nH][n]cc1N Amb22279547 [0,0,0,0,0,0|2,0,2]=4 152 B7R1.4 Nc1[n][n][nH]c1N Amb24452959 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.4 Nc1[n]c[nH]c1S Amb18199121 [0,0,0,0,0,0|2,1,1]=4 154 B7R1.4 Nc1[n]o[n]c1I Amb20623297 [0,0,0,0,0,0|2,0,2]=4 155 B7R1.4 Nc1[n]occ1Br Amb23400901 [0,0,0,0,0,0|3,0,1]=4 156 B7R1.4 Nc1[n]occ1Cl Amb22899679 [0,0,0,0,0,0|3,0,1]=4 157 B7R1.4 Nc1[n]occ1I Amb23400914 [0,0,0,0,0,0|3,0,1]=4 158 B7R1.4 Nc1[n]occ1N Amb18202560 [0,0,0,0,0,0|1,0,3]=4 159 B7R1.4 Nc1cc[nH]c1Br Amb18199645 [0,0,0,0,0,0|2,0,2]=4 160 B7R1.4 Nc1cc[nH]c1N Amb18200118 [0,0,0,0,0,0|2,0,2]=4 161 B7R1.4 Nc1cn[nH]c1C Amb10608291 [0,0,0,0,0,0|2,0,2]=4 162 B7R1.4 Nc1cocc1N Amb20620155 [0,0,0,0,0,0|2,0,2]=4 163 B7R1.4 Nc1cocc1O Amb24078810 [0,0,0,0,0,0|1,0,3]=4 164 B7R1.4 Nc1nonc1C Amb1080847 [0,0,0,0,0,0|2,0,2]=4 165 B7R1.4 O=C1C=CCC1Br Amb24739668 [0,0,0,0,0,0|3,0,0]=3 166 B7R1.4 O=C1C=COC1Br Amb24061538 [0,0,0,0,0,0|4,0,0]=4 167 B7R1.4 O=C1CCBC1=O Amb25186988 [0,0,0,0,0,0|3,0,1]=4 168 B7R1.4 O=C1CCCC1=C Amb17593061 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.4 O=C1CCCC1=O Amb24053064 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.4 O=C1CCCC1Br Amb16234114 [0,0,0,0,0,0|3,0,0]=3 171 B7R1.4 O=C1CCCC1I Amb25756212 [0,0,0,0,0,0|3,0,0]=3 172 B7R1.4 O=C1CCCC1O Amb17593081 [0,0,0,0,0,0|3,0,0]=3 173 B7R1.4 O=C1CCC[C@H]1Br Amb25778341 [0,0,0,0,0,0|3,0,0]=3 174 B7R1.4 O=C1CCC[C@H]1F Amb25834416 [0,0,0,0,0,0|3,0,0]=3 175 B7R1.4 O=C1CCNC1=O Amb21858086 [0,0,0,0,0,0|2,0,1]=3 176 B7R1.4 O=C1CCOC1Br Amb24061539 [0,0,0,0,0,0|4,0,0]=4 177 B7R1.4 O=C1CCSC1Cl Amb24552901 [0,0,0,0,0,0|4,0,0]=4 178 B7R1.4 O=C1CNCC1=O Amb18639280 [0,0,0,0,0,0|3,0,1]=4 179 B7R1.4 O=C1CNCC1F Amb24540356 [0,0,0,0,0,0|3,0,0]=3 180 B7R1.4 O=C1COCC1=O Amb25723319 [0,0,0,0,0,0|2,0,1]=3 181 B7R1.4 O=C1COCC1Br Amb24525921 [0,0,0,0,0,0|2,0,0]=2 182 B7R1.4 O=C1CSCC1=O Amb25249861 [0,0,0,0,0,0|2,1,1]=4 183 B7R1.4 O=C1N=CNC1=O Amb25066061 [0,0,0,0,0,0|3,0,1]=4 184 B7R1.4 O=C1NCCC1Br Amb20623055 [0,0,0,0,0,0|2,0,0]=2 185 B7R1.4 O=C1NCCC1C Amb10603701 [0,0,0,0,0,0|2,0,0]=2 186 B7R1.4 O=C1NCCC1F Amb25838145 [0,0,0,0,0,0|2,0,0]=2 187 B7R1.4 O=C1NCCC1O Amb10603089 [0,0,0,0,0,0|2,0,0]=2 188 B7R1.4 O=C1NCCC1S Amb18202686 [0,0,0,0,0,0|2,0,0]=2 189 B7R1.4 O=C1NCCN1Cl Amb24479801 [0,0,0,0,0,0|3,0,0]=3 190 B7R1.4 O=C1NCCN1[SiH3] Amb24386067 [0,0,0,0,0,0|3,0,0]=3 191 B7R1.4 O=C1NCC[C@@H]1O Amb10603274 [0,0,0,0,0,0|2,0,0]=2 192 B7R1.4 O=C1NCC[C@@H]1S Amb25366927 [0,0,0,0,0,0|2,0,0]=2 193 B7R1.4 O=C1NCC[C@H]1Cl Amb25331827 [0,0,0,0,0,0|2,0,0]=2 194 B7R1.4 O=C1NCC[C@H]1F Amb24481058 [0,0,0,0,0,0|2,0,0]=2 195 B7R1.4 O=C1NCC[C@H]1S Amb25304928 [0,0,0,0,0,0|2,0,0]=2 196 B7R1.4 O=C1NOC=C1Br Amb24641631 [0,0,0,0,0,0|1,0,2]=3 197 B7R1.4 O=C1OC=CC1Br Amb22015332 [0,0,0,0,0,0|3,0,1]=4 198 B7R1.4 O=C1OC=CC1I Amb24679050 [0,0,0,0,0,0|3,0,1]=4 199 B7R1.4 O=C1OCCC1C Amb16185414 [0,0,0,0,0,0|3,0,0]=3 200 B7R1.4 O=C1OCCC1Cl Amb25065373 [0,0,0,0,0,0|3,0,0]=3 201 B7R1.4 O=C1OCCC1I Amb24418518 [0,0,0,0,0,0|3,0,0]=3 202 B7R1.4 O=C1OCCC1N Amb1151850 [0,0,0,0,0,0|2,0,0]=2 203 B7R1.4 O=C1OCCC1N Amb17614991 [0,0,0,0,0,0|2,0,0]=2 204 B7R1.4 O=C1OCCC1S Amb25146639 [0,0,0,0,0,0|3,0,0]=3 205 B7R1.4 O=C1OCCN1N Amb10068971 [0,0,0,0,0,0|3,0,0]=3 206 B7R1.4 O=C1OCC[C@@H]1N Amb10982617 [0,0,0,0,0,0|2,0,0]=2 207 B7R1.4 O=C1OCC[C@H]1N Amb10601656 [0,0,0,0,0,0|2,0,0]=2 208 B7R1.4 O=C1OCNC1Br Amb25299209 [0,0,0,0,0,0|4,0,0]=4 209 B7R1.4 O=C1OCOC1Br Amb25237748 [0,0,0,0,0,0|4,0,0]=4 210 B7R1.4 O=C1SCCC1N Amb1151877 [0,0,0,0,0,0|2,0,0]=2 211 B7R1.4 O=C1SCC[C@@H]1Cl Amb25279498 [0,0,0,0,0,0|3,0,0]=3 212 B7R1.4 O=C1SSCC1Cl Amb25810342 [0,0,0,0,0,0|2,1,0]=3 213 B7R1.4 O=S1CCC[C@@H]1Br Amb25257694 [0,0,0,0,0,0|4,0,0]=4 214 B7R1.4 O=S1CCC[C@@H]1Cl Amb25242432 [0,0,0,0,0,0|4,0,0]=4 215 B7R1.4 O=S1CCC[C@H]1Cl Amb25708398 [0,0,0,0,0,0|4,0,0]=4 216 B7R1.4 OC1C=CCC1=O Amb24734405 [0,0,0,0,0,0|3,0,1]=4 217 B7R1.4 OC1C=COC1=O Amb25296159 [0,0,0,0,0,0|3,0,1]=4 218 B7R1.4 OC1CCC=C1Br Amb24429462 [0,0,0,0,0,0|4,0,0]=4 219 B7R1.4 OC1CCC=C1Cl Amb25202022 [0,0,0,0,0,0|4,0,0]=4 220 B7R1.4 OC1CCCC1N Amb13951342 [0,0,0,0,0,0|2,0,2]=4 221 B7R1.4 OC1CNCC1=O Amb22500423 [0,0,0,0,0,0|3,0,0]=3 222 B7R1.4 OC1COCC1Br Amb25321008 [0,0,0,0,0,0|2,0,2]=4 223 B7R1.4 OC1COCC1Cl Amb24479454 [0,0,0,0,0,0|2,0,2]=4 224 B7R1.4 OC1COCC1I Amb24332672 [0,0,0,0,0,0|2,0,2]=4 225 B7R1.4 OC1SC=NC1=O Amb24664718 [0,0,0,0,0,0|3,0,1]=4 226 B7R1.4 ON1CNCC1=O Amb24480663 [0,0,0,0,0,0|4,0,0]=4 227 B7R1.4 O[C@@H]1CC=CC1=O Amb24571805 [0,0,0,0,0,0|3,0,0]=3 228 B7R1.4 O[C@@H]1CCC=C1Br Amb24631856 [0,0,0,0,0,0|4,0,0]=4 229 B7R1.4 O[C@@H]1CCCC1=O Amb25166028 [0,0,0,0,0,0|3,0,0]=3 230 B7R1.4 O[C@@H]1CCC[C@@H]1N Amb10603107 [0,0,0,0,0,0|2,0,2]=4 231 B7R1.4 O[C@@H]1CCC[C@H]1N Amb1993811 [0,0,0,0,0,0|2,0,2]=4 232 B7R1.4 O[C@@H]1CCC[C@H]1N Amb1993922 [0,0,0,0,0,0|2,0,2]=4 233 B7R1.4 O[C@@H]1CCNC1=O Amb22225343 [0,0,0,0,0,0|2,0,0]=2 234 B7R1.4 O[C@@H]1COC[C@@H]1F Amb24600177 [0,0,0,0,0,0|2,0,2]=4 235 B7R1.4 O[C@@H]1COC[C@@H]1O Amb22406017 [0,0,0,0,0,0|2,0,2]=4 236 B7R1.4 O[C@@H]1COC[C@H]1Br Amb24356806 [0,0,0,0,0,0|2,0,2]=4 237 B7R1.4 O[C@@H]1COC[C@H]1F Amb22886831 [0,0,0,0,0,0|2,0,2]=4 238 B7R1.4 O[C@@H]1COC[C@H]1O Amb22231695 [0,0,0,0,0,0|2,0,2]=4 239 B7R1.4 O[C@@H]1CSC[C@H]1N Amb1099355 [0,0,0,0,0,0|1,1,2]=4 240 B7R1.4 O[C@H]1CC=CC1=O Amb25745808 [0,0,0,0,0,0|3,0,0]=3 241 B7R1.4 O[C@H]1CCC=C1Br Amb25186071 [0,0,0,0,0,0|4,0,0]=4 242 B7R1.4 O[C@H]1CCC[C@@H]1N Amb10604100 [0,0,0,0,0,0|2,0,2]=4 243 B7R1.4 O[C@H]1CCC[C@H]1N Amb1993810 [0,0,0,0,0,0|2,0,2]=4 244 B7R1.4 O[C@H]1CCC[C@H]1N Amb1993921 [0,0,0,0,0,0|2,0,2]=4 245 B7R1.4 O[C@H]1COC[C@@H]1Br Amb24519174 [0,0,0,0,0,0|2,0,2]=4 246 B7R1.4 O[C@H]1COC[C@@H]1F Amb25168929 [0,0,0,0,0,0|2,0,2]=4 247 B7R1.4 O[C@H]1COC[C@@H]1N Amb10608341 [0,0,0,0,0,0|1,0,2]=3 248 B7R1.4 O[C@H]1COC[C@@H]1O Amb17938167 [0,0,0,0,0,0|2,0,2]=4 249 B7R1.4 O[C@H]1COC[C@H]1Cl Amb25321006 [0,0,0,0,0,0|2,0,2]=4 250 B7R1.4 [13CH3]N1[13CH2]CC[13C]1=O Amb22055816 [0,0,0,0,0,0|4,0,0]=4 251 B7R1.4 [NH3+]C1CCSC1=O Amb22045205 [0,0,0,0,0,0|2,0,1]=3 252 B7R1.4 [NH3+]C1CCSC1=O Amb24112879 [0,0,0,0,0,0|2,0,1]=3 253 B6R1.2 BrC1=CCCC1 Amb10067271 [1,0,0,0,0,0|3,0,0]=4 254 B6R1.2 BrC1CCC=C1 Amb21963910 [1,0,0,0,0,0|3,0,0]=4 255 B6R1.2 BrC1CCCN1 Amb25745600 [1,0,0,0,0,0|2,0,1]=4 256 B6R1.2 BrC1CCN=C1 Amb24322658 [1,0,0,0,0,0|2,0,1]=4 257 B6R1.2 BrC1CNCC1 Amb10608920 [1,0,0,0,0,0|2,0,1]=4 258 B6R1.2 BrC1CNCC1 Amb19958764 [1,0,0,0,0,0|2,0,1]=4 259 B6R1.2 BrC1CNCC1 Amb22229239 [1,0,0,0,0,0|2,0,1]=4 260 B6R1.2 BrC1CNNC1 Amb24091330 [1,0,0,0,0,0|2,0,1]=4 261 B6R1.2 BrC1COCC1 Amb19957943 [1,0,0,0,0,0|2,0,1]=4 262 B6R1.2 BrC=1CCNN1 Amb24638108 [1,0,0,0,0,0|2,0,1]=4 263 B6R1.2 BrC=1CCOC1 Amb24322594 [1,0,0,0,0,0|2,0,0]=3 264 B6R1.2 Br[C@@H]1CNCC1 Amb22226659 [1,0,0,0,0,0|2,0,1]=4 265 B6R1.2 Br[C@@H]1CNCC1 Amb22226660 [1,0,0,0,0,0|2,0,1]=4 266 B6R1.2 Br[C@H]1CNCC1 Amb22225312 [1,0,0,0,0,0|2,0,1]=4 267 B6R1.2 Br[C@H]1CNCC1 Amb22225313 [1,0,0,0,0,0|2,0,1]=4 268 B6R1.2 C1C[NH2+]NC1=O Amb2408363 [1,0,0,0,0,0|1,0,0]=2 269 B6R1.2 C=C1CC=CN1 Amb25745630 [1,0,0,0,0,0|2,0,1]=4 270 B6R1.2 C=C1CCCC1 Amb22337671 [1,0,0,0,0,0|3,0,0]=4 271 B6R1.2 C=C1CNCC1 Amb22490848 [1,0,0,0,0,0|3,0,0]=4 272 B6R1.2 C=C1COCC1 Amb24683386 [1,0,0,0,0,0|2,0,0]=3 273 B6R1.2 CC1=NCCN1 Amb1294344 [1,0,0,0,0,0|3,0,0]=4 274 B6R1.2 CC1CCC=C1 Amb17674168 [1,0,0,0,0,0|3,0,0]=4 275 B6R1.2 CC1CNCC1 Amb15690616 [1,0,0,0,0,0|2,0,1]=4 276 B6R1.2 CC1COC=C1 Amb22001724 [1,0,0,0,0,0|2,0,0]=3 277 B6R1.2 CC1COCN1 Amb17506155 [1,0,0,0,0,0|3,0,0]=4 278 B6R1.2 CN1COCC1 Amb25146749 [1,0,0,0,0,0|3,0,0]=4 279 B6R1.2 C[C@@H]1CCCN1 Amb10071006 [1,0,0,0,0,0|2,0,1]=4 280 B6R1.2 C[C@@H]1CNCC1 Amb19887708 [1,0,0,0,0,0|2,0,1]=4 281 B6R1.2 C[C@@H]1CNCC1 Amb22748675 [1,0,0,0,0,0|2,0,1]=4 282 B6R1.2 C[C@H]1CCCN1 Amb10071007 [1,0,0,0,0,0|2,0,1]=4 283 B6R1.2 C[C@H]1CNCC1 Amb19888329 [1,0,0,0,0,0|2,0,1]=4 284 B6R1.2 ClC1=NCCN1 Amb16185487 [1,0,0,0,0,0|3,0,0]=4 285 B6R1.2 ClC1CCC=C1 Amb17672585 [1,0,0,0,0,0|3,0,0]=4 286 B6R1.2 ClC1CNCC1 Amb18640558 [1,0,0,0,0,0|2,0,1]=4 287 B6R1.2 ClC1CNCC1 Amb22229273 [1,0,0,0,0,0|2,0,1]=4 288 B6R1.2 ClC1COCC1 Amb20623054 [1,0,0,0,0,0|2,0,1]=4 289 B6R1.2 ClC=1CCCC1 Amb22351980 [1,0,0,0,0,0|3,0,0]=4 290 B6R1.2 Cl[C@@H]1CNCC1 Amb22226671 [1,0,0,0,0,0|2,0,1]=4 291 B6R1.2 Cl[C@@H]1CNCC1 Amb22226672 [1,0,0,0,0,0|2,0,1]=4 292 B6R1.2 Cl[C@H]1CNCC1 Amb22225329 [1,0,0,0,0,0|2,0,1]=4 293 B6R1.2 Cl[C@H]1CNCC1 Amb22225331 [1,0,0,0,0,0|2,0,1]=4 294 B6R1.2 FC1CNCC1 Amb19148522 [1,0,0,0,0,0|2,0,1]=4 295 B6R1.2 FC=1CCOC1 Amb24322813 [1,0,0,0,0,0|2,0,0]=3 296 B6R1.2 F[C@@H]1CCCN1 Amb25746687 [1,0,0,0,0,0|2,0,1]=4 297 B6R1.2 F[C@@H]1CNCC1 Amb10603273 [1,0,0,0,0,0|2,0,1]=4 298 B6R1.2 F[C@H]1CNCC1 Amb10603224 [1,0,0,0,0,0|2,0,1]=4 299 B6R1.2 IC1CNCC1 Amb20618595 [1,0,0,0,0,0|2,0,1]=4 300 B6R1.2 IC1CNCC1 Amb22229333 [1,0,0,0,0,0|2,0,1]=4 301 B6R1.2 IC=1CCCC1 Amb24332192 [1,0,0,0,0,0|3,0,0]=4 302 B6R1.2 IC=1CCOC1 Amb24322814 [1,0,0,0,0,0|2,0,0]=3 303 B6R1.2 IC=1COCC1 Amb25782753 [1,0,0,0,0,0|2,0,1]=4 304 B6R1.2 I[C@@H]1CNCC1 Amb22226685 [1,0,0,0,0,0|2,0,1]=4 305 B6R1.2 I[C@@H]1CNCC1 Amb22226686 [1,0,0,0,0,0|2,0,1]=4 306 B6R1.2 I[C@@H]1COCC1 Amb22405918 [1,0,0,0,0,0|2,0,1]=4 307 B6R1.2 I[C@H]1CNCC1 Amb22225347 [1,0,0,0,0,0|2,0,1]=4 308 B6R1.2 I[C@H]1CNCC1 Amb22225348 [1,0,0,0,0,0|2,0,1]=4 309 B6R1.2 I[C@H]1COCC1 Amb25337461 [1,0,0,0,0,0|2,0,1]=4 310 B6R1.2 N=C1CCCC1 Amb22274869 [1,0,0,0,0,0|3,0,0]=4 311 B6R1.2 N=C1CCCN1 Amb2371632 [1,0,0,0,0,0|2,0,0]=3 312 B6R1.2 N=C1CCCS1 Amb10072429 [1,0,0,0,0,0|3,0,0]=4 313 B6R1.2 N=C1NCCN1 Amb21859025 [1,0,0,0,0,0|3,0,0]=4 314 B6R1.2 N=C1NCCO1 Amb20623979 [1,0,0,0,0,0|3,0,0]=4 315 B6R1.2 NC1=CCNN1 Amb22346141 [1,0,0,0,0,0|2,0,1]=4 316 B6R1.2 NC1=CCNN1 Amb24053526 [1,0,0,0,0,0|2,0,1]=4 317 B6R1.2 NC1=CCNN1 Amb24080576 [1,0,0,0,0,0|2,0,1]=4 318 B6R1.2 NC1=NCCC1 Amb10976565 [1,0,0,0,0,0|2,0,1]=4 319 B6R1.2 NC1=NCCN1 Amb10810372 [1,0,0,0,0,0|3,0,0]=4 320 B6R1.2 NC1=NCCN1 Amb17613776 [1,0,0,0,0,0|3,0,0]=4 321 B6R1.2 NC1C=CC=C1 Amb25351781 [1,0,0,0,0,0|2,0,1]=4 322 B6R1.2 NC1CC=CC1 Amb18203201 [1,0,0,0,0,0|2,0,1]=4 323 B6R1.2 NC1CCC=C1 Amb23385329 [1,0,0,0,0,0|2,0,0]=3 324 B6R1.2 NC1CCCN1 Amb22739650 [1,0,0,0,0,0|2,0,1]=4 325 B6R1.2 NC1CCCN1 Amb25187729 [1,0,0,0,0,0|2,0,1]=4 326 B6R1.2 NC1CCCO1 Amb16233703 [1,0,0,0,0,0|3,0,0]=4 327 B6R1.2 NC1COCC1 Amb16233718 [1,0,0,0,0,0|1,0,1]=3 328 B6R1.2 NC1CSC=C1 Amb24101541 [1,0,0,0,0,0|1,1,0]=3 329 B6R1.2 NC1CSCC1 Amb1132244 [1,0,0,0,0,0|1,1,1]=4 330 B6R1.2 NC1CSCC1 Amb19149005 [1,0,0,0,0,0|1,1,1]=4 331 B6R1.2 NC=1CCCC1 Amb25699912 [1,0,0,0,0,0|2,0,1]=4 332 B6R1.2 NC=1CCNN1 Amb22330617 [1,0,0,0,0,0|2,0,1]=4 333 B6R1.2 NC=1NCCN1 Amb21954272 [1,0,0,0,0,0|3,0,0]=4 334 B6R1.2 N[C@@H]1CCCO1 Amb25146442 [1,0,0,0,0,0|3,0,0]=4 335 B6R1.2 N[C@@H]1COC=C1 Amb24733636 [1,0,0,0,0,0|1,0,0]=2 336 B6R1.2 N[C@@H]1COCC1 Amb10603285 [1,0,0,0,0,0|1,0,1]=3 337 B6R1.2 N[C@@H]1COCC1 Amb22748137 [1,0,0,0,0,0|1,0,1]=3 338 B6R1.2 N[C@@H]1CSCC1 Amb24611361 [1,0,0,0,0,0|1,1,1]=4 339 B6R1.2 N[C@H]1CCC=C1 Amb24383047 [1,0,0,0,0,0|2,0,0]=3 340 B6R1.2 N[C@H]1COCC1 Amb19515768 [1,0,0,0,0,0|1,0,1]=3 341 B6R1.2 Nc1c[nH][n]c1 Amb22284135 [1,0,0,0,0,0|1,0,2]=4 342 B6R1.2 Nc1c[nH][n]c1 Amb22489515 [1,0,0,0,0,0|1,0,2]=4 343 B6R1.2 Nc1c[nH]c[n]1 Amb20247901 [1,0,0,0,0,0|2,0,1]=4 344 B6R1.2 Nc1c[nH]c[n]1 Amb20620264 [1,0,0,0,0,0|2,0,1]=4 345 B6R1.2 Nc1c[nH]cc1 Amb18065305 [1,0,0,0,0,0|1,0,2]=4 346 B6R1.2 Nc1c[nH]cc1 Amb22491642 [1,0,0,0,0,0|1,0,2]=4 347 B6R1.2 Nc1c[nH]nc1 Amb10602611 [1,0,0,0,0,0|1,0,2]=4 348 B6R1.2 Nc1c[nH]nc1 Amb1102632 [1,0,0,0,0,0|1,0,2]=4 349 B6R1.2 Nc1c[n]o[n]1 Amb18203173 [1,0,0,0,0,0|1,0,2]=4 350 B6R1.2 Nc1cocc1 Amb22230735 [1,0,0,0,0,0|1,0,2]=4 351 B6R1.2 Nc1conc1 Amb10602604 [1,0,0,0,0,0|0,0,3]=4 352 B6R1.2 Nc1conc1 Amb10602605 [1,0,0,0,0,0|0,0,3]=4 353 B6R1.2 O=C1BCCN1 Amb25267191 [1,0,0,0,0,0|2,0,0]=3 354 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,0,0,0|1,0,2]=4 355 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,0,0,0|3,0,0]=4 356 B6R1.2 O=C1C=CNN1 Amb19958916 [1,0,0,0,0,0|1,0,2]=4 357 B6R1.2 O=C1C=CON1 Amb22055592 [1,0,0,0,0,0|0,0,2]=3 358 B6R1.2 O=C1C=CSN1 Amb19895016 [1,0,0,0,0,0|0,1,2]=4 359 B6R1.2 O=C1C=NCO1 Amb25786221 [1,0,0,0,0,0|3,0,0]=4 360 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,0,0,0|1,0,1]=3 361 B6R1.2 O=C1CCCN1 Amb20240633 [1,0,0,0,0,0|1,0,0]=2 362 B6R1.2 O=C1CCCN1 Amb22338202 [1,0,0,0,0,0|1,0,0]=2 363 B6R1.2 O=C1CCCN1 Amb22432663 [1,0,0,0,0,0|1,0,0]=2 364 B6R1.2 O=C1CCCS1 Amb22338102 [1,0,0,0,0,0|2,0,0]=3 365 B6R1.2 O=C1CCNN1 Amb22730624 [1,0,0,0,0,0|1,0,0]=2 366 B6R1.2 O=C1CCON1 Amb22235009 [1,0,0,0,0,0|0,0,0]=1 367 B6R1.2 O=C1CN=CO1 Amb24333834 [1,0,0,0,0,0|3,0,0]=4 368 B6R1.2 O=C1CNC=C1 Amb22234991 [1,0,0,0,0,0|3,0,0]=4 369 B6R1.2 O=C1CNCN1 Amb19957368 [1,0,0,0,0,0|2,0,0]=3 370 B6R1.2 O=C1CNCO1 Amb24661408 [1,0,0,0,0,0|3,0,0]=4 371 B6R1.2 O=C1COC=C1 Amb24107591 [1,0,0,0,0,0|1,0,2]=4 372 B6R1.2 O=C1CSC=C1 Amb22736500 [1,0,0,0,0,0|3,0,0]=4 373 B6R1.2 O=C1CS[Ca]O1 Amb22369695 [1,0,0,0,0,0|3,0,0]=4 374 B6R1.2 O=C1N=CCO1 Amb25024901 [1,0,0,0,0,0|2,0,1]=4 375 B6R1.2 O=C1NC=CN1 Amb19516737 [1,0,0,0,0,0|2,0,1]=4 376 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,0,0,0|2,0,1]=4 377 B6R1.2 O=C1NC=CS1 Amb19271596 [1,0,0,0,0,0|2,0,1]=4 378 B6R1.2 O=C1NC=NN1 Amb20243425 [1,0,0,0,0,0|2,0,1]=4 379 B6R1.2 O=C1NCN=N1 Amb22227695 [1,0,0,0,0,0|2,0,1]=4 380 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,0,0,0|2,0,1]=4 381 B6R1.2 O=C1NN=CS1 Amb22491285 [1,0,0,0,0,0|2,0,1]=4 382 B6R1.2 O=C1NNC=N1 Amb20239428 [1,0,0,0,0,0|2,0,1]=4 383 B6R1.2 O=C1SCCS1 Amb24630172 [1,0,0,0,0,0|3,0,0]=4 384 B6R1.2 O=[13C]1CCCC1 Amb22353487 [1,0,0,0,0,0|2,0,0]=3 385 B6R1.2 O=[13C]1OCCO1 Amb22338878 [1,0,0,0,0,0|3,0,0]=4 386 B6R1.2 O=[13C]1O[13CH2][13CH2]O1 Amb22351705 [1,0,0,0,0,0|3,0,0]=4 387 B6R1.2 OC1=NNCC1 Amb2111955 [1,0,0,0,0,0|1,0,2]=4 388 B6R1.2 OC1CCC=C1 Amb17593023 [1,0,0,0,0,0|3,0,0]=4 389 B6R1.2 OC1CNCC1 Amb22436788 [1,0,0,0,0,0|2,0,1]=4 390 B6R1.2 OC1CNNC1 Amb17593035 [1,0,0,0,0,0|2,0,1]=4 391 B6R1.2 OC1CNOC1 Amb19516646 [1,0,0,0,0,0|1,0,1]=3 392 B6R1.2 OC1CNOC1 Amb19889794 [1,0,0,0,0,0|1,0,1]=3 393 B6R1.2 OC1COC=C1 Amb25194606 [1,0,0,0,0,0|2,0,0]=3 394 B6R1.2 OC1COCO1 Amb25333766 [1,0,0,0,0,0|3,0,0]=4 395 B6R1.2 O[C@@H]1CCCN1 Amb25662794 [1,0,0,0,0,0|1,0,2]=4 396 B6R1.2 O[C@@H]1CNOC1 Amb22748671 [1,0,0,0,0,0|1,0,1]=3 397 B6R1.2 O[C@@H]1CNOC1 Amb23596853 [1,0,0,0,0,0|1,0,1]=3 398 B6R1.2 O[C@H]1CCC=C1 Amb25146308 [1,0,0,0,0,0|3,0,0]=4 399 B6R1.2 O[C@H]1CCCN1 Amb25662512 [1,0,0,0,0,0|1,0,2]=4 400 B6R1.2 O[C@H]1CNOC1 Amb25333008 [1,0,0,0,0,0|1,0,1]=3 401 B6R1.2 O[C@H]1COC=C1 Amb25855065 [1,0,0,0,0,0|2,0,0]=3 402 B6R1.2 S=C1CCC=C1 Amb25147777 [1,0,0,0,0,0|2,1,0]=4 403 B6R1.2 S=C1CN=CN1 Amb24756951 [1,0,0,0,0,0|2,1,0]=4 404 B6R1.2 S=C1NCCO1 Amb2371644 [1,0,0,0,0,0|2,1,0]=4 405 B6R1.2 SC1CNCC1 Amb10608919 [1,0,0,0,0,0|2,0,1]=4 406 B6R1.2 SC1COCC1 Amb22298444 [1,0,0,0,0,0|1,1,1]=4 407 B6R1.2 S[C@@H]1CNCC1 Amb24761461 [1,0,0,0,0,0|2,0,1]=4 408 B6R1.2 S[C@H]1CNCC1 Amb24557194 [1,0,0,0,0,0|2,0,1]=4 409 B6R1.2 [O-][C@@H]1CNCC1 Amb22748772 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.11 C=CN1CCNC1=O Amb25840230 [0,1,0,0,0,0|3,0,0]=4 411 B8R1.11 CC1CCC=C1C=O Amb25785594 [0,1,0,0,0,0|3,0,0]=4 412 B8R1.11 CC1NCCC1CN Amb18203354 [0,1,0,0,0,0|2,0,1]=4 413 B8R1.11 CCC1CCCC1=O Amb16187019 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.11 CCC1CCNC1=O Amb19516780 [0,1,0,0,0,0|2,0,0]=3 415 B8R1.11 CCC1CCNC1=S Amb24604375 [0,1,0,0,0,0|2,1,0]=4 416 B8R1.11 CCC1CCOC1=O Amb23538353 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.11 CCC1CSCC1=O Amb25143445 [0,1,0,0,0,0|2,1,0]=4 418 B8R1.11 CCC1NCCC1N Amb18203353 [0,1,0,0,0,0|2,0,1]=4 419 B8R1.11 CCN1CCNC1=O Amb19333131 [0,1,0,0,0,0|3,0,0]=4 420 B8R1.11 CNC1=CONC1=O Amb24597924 [0,1,0,0,0,0|0,0,2]=3 421 B8R1.11 CNC1CCNC1=O Amb22059501 [0,1,0,0,0,0|1,0,0]=2 422 B8R1.11 CNC1COCC1Cl Amb24508695 [0,1,0,0,0,0|2,0,1]=4 423 B8R1.11 CNC1COCC1O Amb18944293 [0,1,0,0,0,0|1,0,2]=4 424 B8R1.11 CNC1CONC1=O Amb24120339 [0,1,0,0,0,0|0,0,0]=1 425 B8R1.11 CN[C@@H]1COC[C@@H]1O Amb24700231 [0,1,0,0,0,0|1,0,2]=4 426 B8R1.11 CN[C@@H]1COC[C@H]1O Amb22748628 [0,1,0,0,0,0|1,0,2]=4 427 B8R1.11 CN[C@@H]1COC[C@H]1O Amb22757852 [0,1,0,0,0,0|1,0,2]=4 428 B8R1.11 CN[C@H]1CCSC1=O Amb25367035 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.11 CN[C@H]1COC[C@@H]1O Amb10608328 [0,1,0,0,0,0|1,0,2]=4 430 B8R1.11 CN[C@H]1COC[C@H]1O Amb22230434 [0,1,0,0,0,0|1,0,2]=4 431 B8R1.11 COC1CC=CC1=O Amb25266562 [0,1,0,0,0,0|3,0,0]=4 432 B8R1.11 COC1CCCC1=O Amb24573567 [0,1,0,0,0,0|3,0,0]=4 433 B8R1.11 COC1COCC1N Amb17606146 [0,1,0,0,0,0|1,0,2]=4 434 B8R1.11 CO[C@@H]1COC[C@@H]1N Amb22757962 [0,1,0,0,0,0|1,0,2]=4 435 B8R1.11 CO[C@@H]1COC[C@@H]1N Amb24539352 [0,1,0,0,0,0|1,0,2]=4 436 B8R1.11 CO[C@@H]1COC[C@H]1N Amb22757840 [0,1,0,0,0,0|1,0,2]=4 437 B8R1.11 CO[C@@H]1COC[C@H]1N Amb23438206 [0,1,0,0,0,0|1,0,2]=4 438 B8R1.11 CO[C@H]1COC[C@@H]1N Amb10608202 [0,1,0,0,0,0|1,0,2]=4 439 B8R1.11 CO[C@H]1COC[C@H]1N Amb25683516 [0,1,0,0,0,0|1,0,2]=4 440 B8R1.11 CSC1CCCC1=O Amb25761282 [0,1,0,0,0,0|3,0,0]=4 441 B8R1.11 CSC1CCNC1=N Amb25732589 [0,1,0,0,0,0|3,0,0]=4 442 B8R1.11 CSC1COCC1N Amb22504265 [0,1,0,0,0,0|1,1,1]=4 443 B8R1.11 CS[C@@H]1COC[C@H]1N Amb24513923 [0,1,0,0,0,0|1,1,1]=4 444 B8R1.11 C[C@@H]1CCC=C1C=O Amb25790586 [0,1,0,0,0,0|3,0,0]=4 445 B8R1.11 N#CC1CCNC1=O Amb24053097 [0,1,0,0,0,0|1,0,1]=3 446 B8R1.11 N#CC1CNCC1=O Amb22297522 [0,1,0,0,0,0|2,0,1]=4 447 B8R1.11 N#CC1COCC1=O Amb24183529 [0,1,0,0,0,0|1,0,1]=3 448 B8R1.11 N#CN1CCNC1=O Amb25690572 [0,1,0,0,0,0|2,0,1]=4 449 B8R1.11 NC1CCNC1CO Amb25249726 [0,1,0,0,0,0|1,0,2]=4 450 B8R1.11 NC1COCC1CO Amb24581733 [0,1,0,0,0,0|1,0,2]=4 451 B8R1.11 NC=1CCCC1C=O Amb25063022 [0,1,0,0,0,0|2,0,1]=4 452 B8R1.11 NCC1CCCC1=O Amb18833069 [0,1,0,0,0,0|2,0,0]=3 453 B8R1.11 NCC1CCNC1=O Amb18833033 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.11 NCC1CNCC1=O Amb25168729 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.11 NCC1COCC1F Amb24636960 [0,1,0,0,0,0|2,0,1]=4 456 B8R1.11 NCC1COCC1O Amb25728184 [0,1,0,0,0,0|1,0,2]=4 457 B8R1.11 NCC1CSCC1=O Amb24529601 [0,1,0,0,0,0|1,1,0]=3 458 B8R1.11 NCC1N=CNC1=O Amb24079441 [0,1,0,0,0,0|2,0,0]=3 459 B8R1.11 NCN1CCCC1=O Amb25064270 [0,1,0,0,0,0|3,0,0]=4 460 B8R1.11 NCN1CCOC1=O Amb25662499 [0,1,0,0,0,0|3,0,0]=4 461 B8R1.11 NC[C@@H]1COC[C@@H]1O Amb23439671 [0,1,0,0,0,0|1,0,2]=4 462 B8R1.11 NC[C@@H]1COC[C@H]1O Amb23439670 [0,1,0,0,0,0|1,0,2]=4 463 B8R1.11 NC[C@@H]1COC[C@H]1O Amb25277795 [0,1,0,0,0,0|1,0,2]=4 464 B8R1.11 NC[C@H]1COC[C@H]1O Amb25351472 [0,1,0,0,0,0|1,0,2]=4 465 B8R1.11 NNC1COCC1O Amb24706024 [0,1,0,0,0,0|1,0,2]=4 466 B8R1.11 NN[C@@H]1COC[C@H]1O Amb24567848 [0,1,0,0,0,0|1,0,2]=4 467 B8R1.11 N\C=C/1\C=CNC1=O Amb24708433 [0,1,0,0,0,0|1,0,2]=4 468 B8R1.11 N\C=C/1\CCCC1=O Amb24417382 [0,1,0,0,0,0|2,0,1]=4 469 B8R1.11 N\C=C/1\CCOC1=O Amb24575038 [0,1,0,0,0,0|2,0,1]=4 470 B8R1.11 N\C=C/1\N=CNC1=O Amb24596677 [0,1,0,0,0,0|2,0,1]=4 471 B8R1.11 Nc1c[n][nH]c1C=O Amb22495428 [0,1,0,0,0,0|1,0,2]=4 472 B8R1.11 Nc1cocc1C=O Amb18203396 [0,1,0,0,0,0|1,0,2]=4 473 B8R1.11 O=C1CCCC1CCl Amb25111572 [0,1,0,0,0,0|3,0,0]=4 474 B8R1.11 O=C1NCCC1CBr Amb24553938 [0,1,0,0,0,0|2,0,0]=3 475 B8R1.11 O=C1NCCC1CCl Amb25691013 [0,1,0,0,0,0|2,0,0]=3 476 B8R1.11 O=C1OCCC1CCl Amb24649714 [0,1,0,0,0,0|3,0,0]=4 477 B8R1.11 O=CC1CCCC1=O Amb24480732 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.11 O=CC1CCOC1=O Amb17593177 [0,1,0,0,0,0|3,0,0]=4 479 B8R1.11 O=CC1CCSC1=O Amb25365596 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.11 OC1CCC=C1C=O Amb24483009 [0,1,0,0,0,0|3,0,0]=4 481 B8R1.11 OCC1CCCC1=O Amb22491993 [0,1,0,0,0,0|3,0,0]=4 482 B8R1.11 OCC1CCNC1=O Amb22749924 [0,1,0,0,0,0|2,0,0]=3 483 B8R1.11 OCC1CCSC1=O Amb17593391 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.11 OCN1CCNC1=O Amb24761511 [0,1,0,0,0,0|3,0,0]=4 485 B8R1.11 OC[C@@H]1CCOC1=O Amb24423403 [0,1,0,0,0,0|3,0,0]=4 486 B8R1.18 CC1CC(=O)NC1=N Amb25039964 [0,1,0,0,0,0|3,0,0]=4 487 B8R1.18 CC1CC(C)NC1=O Amb24698782 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.18 CC1CC(O)C(=O)C1 Amb25143497 [0,1,0,0,0,0|3,0,0]=4 489 B8R1.18 CC1CC(O)CC1=O Amb24752493 [0,1,0,0,0,0|3,0,0]=4 490 B8R1.18 CC1CC(O)NC1=O Amb24377025 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.18 CC1CC(O)OC1=O Amb25283481 [0,1,0,0,0,0|3,0,0]=4 492 B8R1.18 CC1CN(C)CC1=O Amb20622328 [0,1,0,0,0,0|3,0,0]=4 493 B8R1.18 CC1C[C@@H](N)C(=O)O1 Amb24622840 [0,1,0,0,0,0|2,0,0]=3 494 B8R1.18 CC1NC(=S)NC1=O Amb22263161 [0,1,0,0,0,0|3,0,0]=4 495 B8R1.18 CC1NC(C)C(=O)N1 Amb24481399 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,1,0,0,0,0|3,0,0]=4 497 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,1,0,0,0,0|3,0,0]=4 498 B8R1.18 CC1SC(Cl)NC1=O Amb25360261 [0,1,0,0,0,0|3,0,0]=4 499 B8R1.18 CC1SC(N)NC1=O Amb25837106 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.18 CC=1CC(C)C(=O)C1 Amb24647798 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.18 CC=1C[C@@H](C)C(=O)C1 Amb24686437 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.18 C[C@@H]1CC(=O)NC1=O Amb25709913 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,1,0,0,0,0|3,0,0]=4 504 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,1,0,0,0,0|3,0,0]=4 505 B8R1.18 C[C@@H]1C[C@@H](O)C(=O)O1 Amb24615353 [0,1,0,0,0,0|3,0,0]=4 506 B8R1.18 C[C@@H]1C[C@H](Cl)C(=O)O1 Amb24596085 [0,1,0,0,0,0|3,0,0]=4 507 B8R1.18 C[C@@H]1C[C@H](N)C(=O)O1 Amb24760900 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.18 C[C@@H]1C[C@H](O)C(=O)O1 Amb24519690 [0,1,0,0,0,0|3,0,0]=4 509 B8R1.18 C[C@@H]1C[C@H](O)CC1=O Amb25236934 [0,1,0,0,0,0|3,0,0]=4 510 B8R1.18 C[C@H]1C[C@@H](C)C(=O)C1 Amb24643266 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.18 C[C@H]1C[C@@H](O)C(=S)N1 Amb25259817 [0,1,0,0,0,0|2,1,0]=4 512 B8R1.18 C[C@H]1C[C@H](Br)C(=O)O1 Amb25322131 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.18 C[C@H]1C[C@H](C)NC1=O Amb25174475 [0,1,0,0,0,0|2,0,0]=3 514 B8R1.18 C[C@H]1C[C@H](N)C(=O)O1 Amb24538781 [0,1,0,0,0,0|2,0,0]=3 515 B8R1.18 N=C1NC(=O)C(S1)C Amb2500860 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.18 NC1CC(=O)OC1=O Amb19929452 [0,1,0,0,0,0|2,0,0]=3 517 B8R1.18 NN1CC(=O)NC1=S Amb24482517 [0,1,0,0,0,0|2,1,0]=4 518 B8R1.18 N[C@@H]1CC(=O)NC1=O Amb18033835 [0,1,0,0,0,0|1,0,0]=2 519 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,1,0,0,0,0|2,0,0]=3 520 B8R1.18 O=C1CC(C(=O)N1)C Amb10609734 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.18 O=C1CN(C(=O)N1)N Amb1106079 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.18 O=C1C[C@@H](C(=O)N1)N Amb17134612 [0,1,0,0,0,0|1,0,0]=2 523 B8R1.18 O=C1NC(=O)CC1Br Amb25226801 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.18 O=C1NC(=O)CC1S Amb25325951 [0,1,0,0,0,0|2,0,0]=3 525 B8R1.18 O=C1NC(=O)CN1S Amb25856955 [0,1,0,0,0,0|3,0,0]=4 526 B8R1.18 O=C1NC(C(=O)N1)C Amb1150065 [0,1,0,0,0,0|3,0,0]=4 527 B8R1.18 O=C1NC(C(=O)N1)O Amb17615425 [0,1,0,0,0,0|3,0,0]=4 528 B8R1.18 O=C1NC(Cl)C(=O)N1 Amb25690677 [0,1,0,0,0,0|3,0,0]=4 529 B8R1.18 O=C1N[C@@H](C(=O)N1)C Amb17617475 [0,1,0,0,0,0|3,0,0]=4 530 B8R1.18 O=C1N[C@H](C(=O)N1)C Amb17617476 [0,1,0,0,0,0|3,0,0]=4 531 B8R1.18 O=C1OC(=O)CC1Cl Amb24677749 [0,1,0,0,0,0|3,0,0]=4 532 B8R1.18 O=C1OC(=O)C[C@@H]1Br Amb24558394 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.18 O=C1OC(=O)C[C@@H]1Cl Amb25837364 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.18 O=C1SC(C(=O)N1)Br Amb2436078 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.18 O=[13C]1[13CH2]N([13C](=O)N1)N Amb17608095 [0,1,0,0,0,0|2,0,0]=3 536 B8R1.18 OC1CC(=O)CC1=O Amb24330382 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.18 O[C@@H]1CC(=O)OC1=O Amb25142904 [0,1,0,0,0,0|3,0,0]=4 538 B8R1.18 O[C@H]1CC(=O)NC1=O Amb24458089 [0,1,0,0,0,0|2,0,0]=3 539 B8R1.19 CC1(C)CCNC1=O Amb22757339 [0,1,0,0,0,0|2,0,0]=3 540 B8R1.19 CC1(C)CCNC1=S Amb25265103 [0,1,0,0,0,0|2,1,0]=4 541 B8R1.19 CC1(C)CNNC1=O Amb25082285 [0,1,0,0,0,0|2,0,0]=3 542 B8R1.19 CC1(C)CON=C1N Amb24525290 [0,1,0,0,0,0|2,0,1]=4 543 B8R1.19 CC1(C)CONC1=O Amb21927202 [0,1,0,0,0,0|1,0,0]=2 544 B8R1.19 CC1(C)NCCC1N Amb18833031 [0,1,0,0,0,0|2,0,1]=4 545 B8R1.19 CC1(C)SCNC1=O Amb24540427 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.19 CC1(Cl)CC=CC1=O Amb25026512 [0,1,0,0,0,0|3,0,0]=4 547 B8R1.19 CC1(N)CCCC1=O Amb24411535 [0,1,0,0,0,0|2,0,0]=3 548 B8R1.19 CC1(N)CCNC1=O Amb18124254 [0,1,0,0,0,0|1,0,0]=2 549 B8R1.19 CC1(N)CCOC1=O Amb24632713 [0,1,0,0,0,0|2,0,0]=3 550 B8R1.19 CC1(O)C=CNC1=O Amb25077165 [0,1,0,0,0,0|2,0,1]=4 551 B8R1.19 CC1(O)CC=CC1=O Amb25177644 [0,1,0,0,0,0|3,0,0]=4 552 B8R1.19 CC1(O)CCNC1=S Amb24376097 [0,1,0,0,0,0|2,1,0]=4 553 B8R1.19 CC1(O)COCC1=O Amb24582470 [0,1,0,0,0,0|2,0,0]=3 554 B8R1.19 C[C@]1(Cl)CC=CC1=O Amb25793034 [0,1,0,0,0,0|3,0,0]=4 555 B8R1.19 O=C1CCCC1(Br)Br Amb25805410 [0,1,0,0,0,0|3,0,0]=4 556 B8R1.19 O=C1CCCC1(Cl)Cl Amb24619625 [0,1,0,0,0,0|3,0,0]=4 557 B8R1.19 O=C1NCCC1(C)C Amb13882829 [0,1,0,0,0,0|2,0,0]=3 558 B8R1.19 O=C1NCCC1(F)F Amb25063682 [0,1,0,0,0,0|2,0,0]=3 559 B8R1.19 O=C1NCCS1(=O)=O Amb24746629 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.19 O=C1OCCC1(Br)Br Amb25227692 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.19 O=C1OCCC1(C)C Amb10603955 [0,1,0,0,0,0|3,0,0]=4 562 B8R1.50 BrC1C(=O)COC1=O Amb17594578 [0,1,0,0,0,0|2,0,1]=4 563 B8R1.50 C=C1C(N)COC1=O Amb18641720 [0,1,0,0,0,0|2,0,0]=3 564 B8R1.50 C=C1[C@@H](N)COC1=O Amb24744705 [0,1,0,0,0,0|2,0,0]=3 565 B8R1.50 C=C1[C@@H](O)COC1=O Amb24435902 [0,1,0,0,0,0|3,0,0]=4 566 B8R1.50 CC1=CNC(=O)C1C Amb25367339 [0,1,0,0,0,0|2,0,1]=4 567 B8R1.50 CC1=NNC(=O)C1Br Amb22330367 [0,1,0,0,0,0|2,0,1]=4 568 B8R1.50 CC1=NNC(=O)N1N Amb18048389 [0,1,0,0,0,0|2,0,1]=4 569 B8R1.50 CC1C(C)CNC1=N Amb24481323 [0,1,0,0,0,0|3,0,0]=4 570 B8R1.50 CC1C(C)CNC1=O Amb24334186 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.50 CC1C(C)ON=C1C Amb24585955 [0,1,0,0,0,0|2,0,1]=4 572 B8R1.50 CC1C(C)SCC1=O Amb24687046 [0,1,0,0,0,0|2,1,0]=4 573 B8R1.50 CC1C(N)COC1=O Amb18641824 [0,1,0,0,0,0|2,0,1]=4 574 B8R1.50 CC1C(O)CNC1=O Amb24441657 [0,1,0,0,0,0|2,0,0]=3 575 B8R1.50 CC1C(O)COC1=O Amb25357313 [0,1,0,0,0,0|3,0,0]=4 576 B8R1.50 CC1C=CC(=O)C1C Amb25284741 [0,1,0,0,0,0|3,0,0]=4 577 B8R1.50 CC1C=CC(=O)C1Cl Amb24634012 [0,1,0,0,0,0|3,0,0]=4 578 B8R1.50 CC1CC=C(C)C1=O Amb17778666 [0,1,0,0,0,0|3,0,0]=4 579 B8R1.50 CC1CCC(=O)C1=O Amb22233560 [0,1,0,0,0,0|3,0,0]=4 580 B8R1.50 CC1CCC(=O)C1Br Amb24356701 [0,1,0,0,0,0|3,0,0]=4 581 B8R1.50 CC1CCC(=O)C1N Amb25675652 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.50 CC1CCC(=O)C1O Amb25773264 [0,1,0,0,0,0|3,0,0]=4 583 B8R1.50 CC1CNC(=O)C1Cl Amb24610736 [0,1,0,0,0,0|2,0,0]=3 584 B8R1.50 CC1CNC(=S)C1O Amb24482492 [0,1,0,0,0,0|2,1,0]=4 585 B8R1.50 CC1COC(=O)C1Cl Amb25240615 [0,1,0,0,0,0|3,0,0]=4 586 B8R1.50 CC1COC(=O)C1N Amb24482307 [0,1,0,0,0,0|2,0,0]=3 587 B8R1.50 CC1CO[N+](C)=C1N Amb24647602 [0,1,0,0,0,0|2,0,1]=4 588 B8R1.50 CC1CSC(=O)C1N Amb25169595 [0,1,0,0,0,0|2,0,0]=3 589 B8R1.50 CC1NCN(C)C1=O Amb18641804 [0,1,0,0,0,0|3,0,0]=4 590 B8R1.50 CC1NNC(=O)C1O Amb25739720 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.50 CC1OCC(=C)C1O Amb24527630 [0,1,0,0,0,0|3,0,0]=4 592 B8R1.50 CC1OCC(=O)C1N Amb24601568 [0,1,0,0,0,0|1,0,0]=2 593 B8R1.50 CC1ON=C(N)C1Br Amb24642704 [0,1,0,0,0,0|2,0,1]=4 594 B8R1.50 CC1ONC(=O)C1N Amb25063865 [0,1,0,0,0,0|0,0,0]=1 595 B8R1.50 CC1SCC(C)C1=O Amb22055131 [0,1,0,0,0,0|2,1,0]=4 596 B8R1.50 CC1SOC(=O)C1N Amb24665733 [0,1,0,0,0,0|1,1,0]=3 597 B8R1.50 CN1C(O)CNC1=O Amb25131298 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.50 CN1CCC(=C)C1=O Amb24457267 [0,1,0,0,0,0|2,0,1]=4 599 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [0,1,0,0,0,0|2,0,1]=4 600 B8R1.50 CN1CCC(Br)C1=O Amb19514590 [0,1,0,0,0,0|2,0,0]=3 601 B8R1.50 CN1CCC(N)C1=O Amb22491599 [0,1,0,0,0,0|1,0,0]=2 602 B8R1.50 CN1CCC(O)C1=O Amb20622738 [0,1,0,0,0,0|2,0,0]=3 603 B8R1.50 CN1CCC(S)C1=O Amb24333654 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.50 CN1CCN(C1=O)C Amb1195982 [0,1,0,0,0,0|3,0,0]=4 605 B8R1.50 CN1CCN(N)C1=O Amb24643625 [0,1,0,0,0,0|2,0,0]=3 606 B8R1.50 CN1CC[C@@H](N)C1=O Amb25303747 [0,1,0,0,0,0|1,0,0]=2 607 B8R1.50 CN1CC[C@H](O)C1=O Amb24400512 [0,1,0,0,0,0|2,0,0]=3 608 B8R1.50 CN1OC[C@@H](N)C1=O Amb25703607 [0,1,0,0,0,0|0,0,0]=1 609 B8R1.50 CN1SCC(N)C1=O Amb25230901 [0,1,0,0,0,0|0,1,0]=2 610 B8R1.50 C[C@@H]1CCC(=O)C1=O Amb24357250 [0,1,0,0,0,0|3,0,0]=4 611 B8R1.50 C[C@@H]1CCC(=O)C1C Amb25834175 [0,1,0,0,0,0|3,0,0]=4 612 B8R1.50 C[C@@H]1CCC(=O)[C@H]1Br Amb24706631 [0,1,0,0,0,0|3,0,0]=4 613 B8R1.50 C[C@@H]1CC[C@@H](C)C1=O Amb25293431 [0,1,0,0,0,0|3,0,0]=4 614 B8R1.50 C[C@@H]1COC(=O)[C@H]1N Amb25216668 [0,1,0,0,0,0|2,0,0]=3 615 B8R1.50 C[C@@H]1NNC(=O)[C@@H]1O Amb24599440 [0,1,0,0,0,0|2,0,0]=3 616 B8R1.50 C[C@@H]1[C@@H](O)COC1=O Amb25176469 [0,1,0,0,0,0|3,0,0]=4 617 B8R1.50 C[C@H]1C=CC(=O)[C@@H]1O Amb25024971 [0,1,0,0,0,0|3,0,0]=4 618 B8R1.50 C[C@H]1C=CC(=O)[C@H]1C Amb25373043 [0,1,0,0,0,0|3,0,0]=4 619 B8R1.50 C[C@H]1C=CC(=O)[C@H]1Cl Amb25348042 [0,1,0,0,0,0|3,0,0]=4 620 B8R1.50 C[C@H]1CCC(=O)[C@H]1Br Amb25286608 [0,1,0,0,0,0|3,0,0]=4 621 B8R1.50 C[C@H]1CCC(=O)[C@H]1C Amb24557180 [0,1,0,0,0,0|3,0,0]=4 622 B8R1.50 C[C@H]1CCC(=O)[C@H]1Cl Amb24544320 [0,1,0,0,0,0|3,0,0]=4 623 B8R1.50 C[C@H]1CNC(=S)[C@H]1O Amb24581277 [0,1,0,0,0,0|2,1,0]=4 624 B8R1.50 C[C@H]1COC(=O)[C@@H]1N Amb25339475 [0,1,0,0,0,0|2,0,0]=3 625 B8R1.50 C[C@H]1COC(=O)[C@@H]1O Amb25320667 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.50 C[C@H]1OCC(=O)[C@@H]1O Amb25026255 [0,1,0,0,0,0|2,0,0]=3 627 B8R1.50 C[C@H]1ONC(=O)[C@H]1N Amb24514974 [0,1,0,0,0,0|0,0,0]=1 628 B8R1.50 C[C@H]1[C@@H](C)CNC1=O Amb24761480 [0,1,0,0,0,0|2,0,0]=3 629 B8R1.50 C[C@H]1[C@H](N)COC1=O Amb24514746 [0,1,0,0,0,0|2,0,1]=4 630 B8R1.50 C[C@H]1[C@H](O)CCC1=O Amb24631662 [0,1,0,0,0,0|3,0,0]=4 631 B8R1.50 NC1=C([NH3+])NNC1=O Amb21933592 [0,1,0,0,0,0|1,0,2]=4 632 B8R1.50 NC1C(N)CNC1=O Amb18641832 [0,1,0,0,0,0|1,0,0]=2 633 B8R1.50 NC1C(O)CNC1=O Amb24374633 [0,1,0,0,0,0|1,0,0]=2 634 B8R1.50 NC1C(O)COC1=O Amb25746355 [0,1,0,0,0,0|2,0,0]=3 635 B8R1.50 NC1CNC(=O)C1O Amb24481564 [0,1,0,0,0,0|2,0,0]=3 636 B8R1.50 NC1COC(=O)C1O Amb24724728 [0,1,0,0,0,0|1,0,2]=4 637 B8R1.50 NN1C(=O)NNC1=O Amb18641860 [0,1,0,0,0,0|2,0,1]=4 638 B8R1.50 N[C@@H]1CCN(O)C1=O Amb22362895 [0,1,0,0,0,0|1,0,0]=2 639 B8R1.50 N[C@@H]1[C@@H](O)CNC1=O Amb24612410 [0,1,0,0,0,0|1,0,0]=2 640 B8R1.50 N[C@@H]1[C@H](O)COC1=O Amb25260781 [0,1,0,0,0,0|2,0,0]=3 641 B8R1.50 N[C@@H]1[C@H](O)COC1O Amb25174437 [0,1,0,0,0,0|1,0,2]=4 642 B8R1.50 N[C@H]1CCN(O)C1=O Amb25345964 [0,1,0,0,0,0|1,0,0]=2 643 B8R1.50 N[C@H]1CNC(=O)[C@@H]1O Amb24612411 [0,1,0,0,0,0|2,0,0]=3 644 B8R1.50 N[C@H]1[C@@H](O)COC1=O Amb24697759 [0,1,0,0,0,0|2,0,0]=3 645 B8R1.50 N[C@H]1[C@H](N)CNC1=O Amb24566659 [0,1,0,0,0,0|1,0,0]=2 646 B8R1.50 N[C@H]1[C@H](O)COC1O Amb25366114 [0,1,0,0,0,0|1,0,2]=4 647 B8R1.50 O=C1C(=O)COC1=O Amb24364125 [0,1,0,0,0,0|2,0,1]=4 648 B8R1.50 O=C1C(Br)COC1=O Amb25760646 [0,1,0,0,0,0|2,0,0]=3 649 B8R1.50 O=C1C(C)CCN1C Amb10068267 [0,1,0,0,0,0|2,0,0]=3 650 B8R1.50 O=C1C(Cl)CCC1Cl Amb25102551 [0,1,0,0,0,0|3,0,0]=4 651 B8R1.50 O=C1C(N)CCN1C Amb10607857 [0,1,0,0,0,0|1,0,0]=2 652 B8R1.50 O=C1NN=C(C1C)N Amb17593175 [0,1,0,0,0,0|2,0,1]=4 653 B8R1.50 O=C1SSC(Cl)C1Cl Amb24693883 [0,1,0,0,0,0|2,1,0]=4 654 B8R1.50 O=C1[C@@H](Cl)CC[C@@H]1Cl Amb25264929 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.50 OC1C(=O)COC1=O Amb25143349 [0,1,0,0,0,0|2,0,1]=4 656 B8R1.50 OC1C(F)COC1=O Amb25831080 [0,1,0,0,0,0|3,0,0]=4 657 B8R1.50 OC1C(O)COC1=O Amb22730078 [0,1,0,0,0,0|3,0,0]=4 658 B8R1.50 OC1C=CC(=O)C1Br Amb24398644 [0,1,0,0,0,0|3,0,0]=4 659 B8R1.50 OC1C=CC(=O)C1O Amb25285676 [0,1,0,0,0,0|3,0,0]=4 660 B8R1.50 OC1CCC(=O)C1=O Amb24432188 [0,1,0,0,0,0|3,0,0]=4 661 B8R1.50 OC1CCC(=O)C1O Amb24627902 [0,1,0,0,0,0|3,0,0]=4 662 B8R1.50 OC1COC(=O)C1Br Amb24482051 [0,1,0,0,0,0|3,0,0]=4 663 B8R1.50 OC1COC(=O)C1F Amb24529261 [0,1,0,0,0,0|3,0,0]=4 664 B8R1.50 O[C@@H]1C=CC(=O)[C@H]1Br Amb25273749 [0,1,0,0,0,0|3,0,0]=4 665 B8R1.50 O[C@@H]1[C@@H](O)COC1=O Amb15692412 [0,1,0,0,0,0|3,0,0]=4 666 B8R1.50 O[C@H]1COC(=O)[C@H]1Br Amb10067848 [0,1,0,0,0,0|3,0,0]=4 667 B8R1.50 O[C@H]1[C@H](F)COC1=O Amb25356232 [0,1,0,0,0,0|3,0,0]=4 668 B8R1.50 O[C@H]1[C@H](O)COC1=O Amb24609731 [0,1,0,0,0,0|3,0,0]=4 669 B6R0.1 C#CCC(N)C=O Amb25117972 [0,0,1,0,0,0|2,0,0]=3 670 B6R0.1 C=CC(N)CC=C Amb24376428 [0,0,1,0,0,0|3,0,0]=4 671 B6R0.1 C=CC(N)CCO Amb22496689 [0,0,1,0,0,0|3,0,0]=4 672 B6R0.1 C=CCC(Br)C=O Amb18645751 [0,0,1,0,0,0|3,0,0]=4 673 B6R0.1 C=CCC(I)C=O Amb25231227 [0,0,1,0,0,0|3,0,0]=4 674 B6R0.1 C=CCC(O)C=O Amb25356720 [0,0,1,0,0,0|3,0,0]=4 675 B6R0.1 C=CC[C@@H](F)C=O Amb25205853 [0,0,1,0,0,0|3,0,0]=4 676 B6R0.1 C=CC[C@H](O)C=O Amb25813766 [0,0,1,0,0,0|3,0,0]=4 677 B6R0.1 C=C[C@H](N)CCO Amb24606587 [0,0,1,0,0,0|3,0,0]=4 678 B6R0.1 CC(CC=O)C=O Amb18121376 [0,0,1,0,0,0|3,0,0]=4 679 B6R0.1 CC(CCBr)C=O Amb18126359 [0,0,1,0,0,0|3,0,0]=4 680 B6R0.1 CC(CCCl)C=O Amb18641984 [0,0,1,0,0,0|3,0,0]=4 681 B6R0.1 CC(CO)CON Amb25746199 [0,0,1,0,0,0|1,0,2]=4 682 B6R0.1 CC(CON)CN Amb24479834 [0,0,1,0,0,0|2,0,1]=4 683 B6R0.1 CCC(=C)COC Amb25306115 [0,0,1,0,0,0|3,0,0]=4 684 B6R0.1 CCC(=O)COC Amb19515551 [0,0,1,0,0,0|2,0,0]=3 685 B6R0.1 CCC(=O)NC#N Amb25662340 [0,0,1,0,0,0|3,0,0]=4 686 B6R0.1 CCC(=O)NC=O Amb24480668 [0,0,1,0,0,0|3,0,0]=4 687 B6R0.1 CCC(=O)NCBr Amb25662588 [0,0,1,0,0,0|3,0,0]=4 688 B6R0.1 CCC(=O)NCCl Amb24577565 [0,0,1,0,0,0|3,0,0]=4 689 B6R0.1 CCC(=O)SCC Amb22043397 [0,0,1,0,0,0|3,0,0]=4 690 B6R0.1 CCC(=S)NCC Amb24761445 [0,0,1,0,0,0|2,1,0]=4 691 B6R0.1 CCC(C)=NOC Amb25058931 [0,0,1,0,0,0|2,0,1]=4 692 B6R0.1 CCC(C)CON Amb25316087 [0,0,1,0,0,0|2,0,1]=4 693 B6R0.1 CCC(C)NOC Amb20668189 [0,0,1,0,0,0|2,0,1]=4 694 B6R0.1 CCC(C)NOC Amb22059586 [0,0,1,0,0,0|2,0,1]=4 695 B6R0.1 CCC(N)=NOC Amb24479122 [0,0,1,0,0,0|2,0,1]=4 696 B6R0.1 CCC(N)CON Amb25122953 [0,0,1,0,0,0|1,0,1]=3 697 B6R0.1 CCC(O)CON Amb25173821 [0,0,1,0,0,0|2,0,1]=4 698 B6R0.1 CCCC(=O)CBr Amb24433274 [0,0,1,0,0,0|3,0,0]=4 699 B6R0.1 CCCC(=O)CCl Amb19372924 [0,0,1,0,0,0|3,0,0]=4 700 B6R0.1 CCCC(=O)CF Amb25370812 [0,0,1,0,0,0|3,0,0]=4 701 B6R0.1 CCCC(=O)CN Amb17593086 [0,0,1,0,0,0|2,0,0]=3 702 B6R0.1 CCCC(=O)CO Amb25125092 [0,0,1,0,0,0|3,0,0]=4 703 B6R0.1 CCCC(=O)CS Amb24631668 [0,0,1,0,0,0|3,0,0]=4 704 B6R0.1 CCCC(Br)C=O Amb18126388 [0,0,1,0,0,0|3,0,0]=4 705 B6R0.1 CCCC(Cl)C=O Amb18124277 [0,0,1,0,0,0|3,0,0]=4 706 B6R0.1 CCCC(F)C=O Amb24544750 [0,0,1,0,0,0|3,0,0]=4 707 B6R0.1 CCCC(I)C=O Amb25290285 [0,0,1,0,0,0|3,0,0]=4 708 B6R0.1 CCCC(O)C=O Amb24531721 [0,0,1,0,0,0|3,0,0]=4 709 B6R0.1 CCCN(N)C=O Amb18121867 [0,0,1,0,0,0|3,0,0]=4 710 B6R0.1 CCC[C@H](Cl)C=O Amb24470180 [0,0,1,0,0,0|3,0,0]=4 711 B6R0.1 CCC[C@H](N)C=C Amb25738578 [0,0,1,0,0,0|3,0,0]=4 712 B6R0.1 CCNC(=N)CN Amb24472238 [0,0,1,0,0,0|2,0,0]=3 713 B6R0.1 CCNC(=N)CO Amb23514995 [0,0,1,0,0,0|3,0,0]=4 714 B6R0.1 CCNC(=O)C#C Amb24057137 [0,0,1,0,0,0|2,0,1]=4 715 B6R0.1 CCNC(=O)CBr Amb2090261 [0,0,1,0,0,0|2,0,0]=3 716 B6R0.1 CCNC(=O)CCl Amb1643925 [0,0,1,0,0,0|2,0,0]=3 717 B6R0.1 CCNC(=O)CI Amb23512617 [0,0,1,0,0,0|2,0,0]=3 718 B6R0.1 CCNC(=O)CN Amb21956656 [0,0,1,0,0,0|1,0,0]=2 719 B6R0.1 CCNC(=O)N=O Amb25745700 [0,0,1,0,0,0|3,0,0]=4 720 B6R0.1 CCNC(=O)OC Amb22734099 [0,0,1,0,0,0|3,0,0]=4 721 B6R0.1 CCNC(=O)ON Amb25108031 [0,0,1,0,0,0|2,0,0]=3 722 B6R0.1 CCNC(C)=NN Amb25024696 [0,0,1,0,0,0|3,0,0]=4 723 B6R0.1 CCNC(C)CN Amb18523777 [0,0,1,0,0,0|2,0,1]=4 724 B6R0.1 CCNC(N)=NN Amb24479906 [0,0,1,0,0,0|3,0,0]=4 725 B6R0.1 CCN[C@@H](C)CN Amb25097069 [0,0,1,0,0,0|2,0,1]=4 726 B6R0.1 CCOC(=O)CN Amb20246808 [0,0,1,0,0,0|2,0,0]=3 727 B6R0.1 CCOC(=O)C[NH3+] Amb24113741 [0,0,1,0,0,0|2,0,1]=4 728 B6R0.1 CCOC(=O)[13CH2]Br Amb22337807 [0,0,1,0,0,0|3,0,0]=4 729 B6R0.1 CCOC(=O)[13CH2]N Amb22055360 [0,0,1,0,0,0|2,0,0]=3 730 B6R0.1 CCO[13C](=O)CBr Amb22363272 [0,0,1,0,0,0|3,0,0]=4 731 B6R0.1 CCO[13C](=O)[13CH2]Br Amb22351963 [0,0,1,0,0,0|3,0,0]=4 732 B6R0.1 CCO[13C](=O)[13CH2]Cl Amb17613989 [0,0,1,0,0,0|3,0,0]=4 733 B6R0.1 CCO[13C](=O)[13CH2]N Amb17614823 [0,0,1,0,0,0|2,0,0]=3 734 B6R0.1 CCS(=O)NCC Amb24737256 [0,0,1,0,0,0|3,0,0]=4 735 B6R0.1 CCS(=O)NOC Amb24545565 [0,0,1,0,0,0|2,0,0]=3 736 B6R0.1 CCSC(=O)CBr Amb25227484 [0,0,1,0,0,0|3,0,0]=4 737 B6R0.1 CCSC(=O)CCl Amb24530234 [0,0,1,0,0,0|3,0,0]=4 738 B6R0.1 CCSC(=O)CN Amb24479789 [0,0,1,0,0,0|2,0,0]=3 739 B6R0.1 CCSC(=O)NN Amb25074866 [0,0,1,0,0,0|3,0,0]=4 740 B6R0.1 CC[C@@H](N)COC Amb22755736 [0,0,1,0,0,0|2,0,1]=4 741 B6R0.1 CC[C@@H](N)COC Amb24479069 [0,0,1,0,0,0|2,0,1]=4 742 B6R0.1 CC\C=C(\C)/CN Amb24479885 [0,0,1,0,0,0|3,0,0]=4 743 B6R0.1 CN(CCN)C=O Amb18251058 [0,0,1,0,0,0|3,0,0]=4 744 B6R0.1 CNC(=O)COC Amb22275885 [0,0,1,0,0,0|3,0,0]=4 745 B6R0.1 CNC(=O)NCC Amb24120627 [0,0,1,0,0,0|3,0,0]=4 746 B6R0.1 CNC(=O)NOC Amb24618015 [0,0,1,0,0,0|2,0,0]=3 747 B6R0.1 CNCC(=O)CN Amb25218252 [0,0,1,0,0,0|2,0,0]=3 748 B6R0.1 CNCC(=O)NN Amb16186920 [0,0,1,0,0,0|3,0,0]=4 749 B6R0.1 CNCC(C)C=O Amb25843425 [0,0,1,0,0,0|3,0,0]=4 750 B6R0.1 CNNC(=O)OC Amb22411352 [0,0,1,0,0,0|3,0,0]=4 751 B6R0.1 CNOC(=O)CN Amb25843279 [0,0,1,0,0,0|2,0,0]=3 752 B6R0.1 COC(=O)NOC Amb24480502 [0,0,1,0,0,0|2,0,0]=3 753 B6R0.1 COC(C)CON Amb18640476 [0,0,1,0,0,0|3,0,0]=4 754 B6R0.1 COCC(=C)CN Amb25262850 [0,0,1,0,0,0|2,0,0]=3 755 B6R0.1 COCC(=C)CO Amb24523815 [0,0,1,0,0,0|3,0,0]=4 756 B6R0.1 COCC(=C)NN Amb24620626 [0,0,1,0,0,0|3,0,0]=4 757 B6R0.1 COCC(=O)C#N Amb25744731 [0,0,1,0,0,0|1,0,2]=4 758 B6R0.1 COCC(=O)C=C Amb22168158 [0,0,1,0,0,0|2,0,1]=4 759 B6R0.1 COCC(=O)CCl Amb24523799 [0,0,1,0,0,0|2,0,0]=3 760 B6R0.1 COCC(=O)CN Amb18833134 [0,0,1,0,0,0|1,0,0]=2 761 B6R0.1 COCC(=O)CO Amb24364722 [0,0,1,0,0,0|2,0,0]=3 762 B6R0.1 COCC(=O)O[Na] Amb2227682 [0,0,1,0,0,0|3,0,0]=4 763 B6R0.1 COCC(=S)CCl Amb24665264 [0,0,1,0,0,0|2,1,0]=4 764 B6R0.1 COCC(Br)C=C Amb25807423 [0,0,1,0,0,0|3,0,0]=4 765 B6R0.1 COCC(Br)C=O Amb18645355 [0,0,1,0,0,0|2,0,0]=3 766 B6R0.1 COCC(C)=NN Amb25662277 [0,0,1,0,0,0|3,0,0]=4 767 B6R0.1 COCC(C)C=C Amb24480512 [0,0,1,0,0,0|3,0,0]=4 768 B6R0.1 COCC(C)C=O Amb20667976 [0,0,1,0,0,0|2,0,0]=3 769 B6R0.1 COCC(CN)O Amb1134289 [0,0,1,0,0,0|1,0,2]=4 770 B6R0.1 COCC(N)=S=O Amb25843320 [0,0,1,0,0,0|2,0,1]=4 771 B6R0.1 COCC(N)C#C Amb25691561 [0,0,1,0,0,0|2,0,1]=4 772 B6R0.1 COCC(N)C#N Amb18957614 [0,0,1,0,0,0|2,0,1]=4 773 B6R0.1 COCC(N)C=C Amb25252949 [0,0,1,0,0,0|2,0,0]=3 774 B6R0.1 COCC(N)CCl Amb25850511 [0,0,1,0,0,0|2,0,1]=4 775 B6R0.1 COCC(N)CF Amb25253759 [0,0,1,0,0,0|2,0,1]=4 776 B6R0.1 COCC(N)CN Amb24655567 [0,0,1,0,0,0|2,0,1]=4 777 B6R0.1 COCC(O)C=O Amb18122318 [0,0,1,0,0,0|2,0,0]=3 778 B6R0.1 COC[C@@H](O)C=C Amb25136139 [0,0,1,0,0,0|3,0,0]=4 779 B6R0.1 COC[C@@H](O)CN Amb17933201 [0,0,1,0,0,0|1,0,2]=4 780 B6R0.1 COC[C@H](N)C=C Amb25296783 [0,0,1,0,0,0|2,0,0]=3 781 B6R0.1 CON=C(C)CO Amb24353031 [0,0,1,0,0,0|2,0,1]=4 782 B6R0.1 CONC(=O)C#C Amb24563178 [0,0,1,0,0,0|1,0,1]=3 783 B6R0.1 CONC(=O)CI Amb25275195 [0,0,1,0,0,0|1,0,0]=2 784 B6R0.1 CONC(=O)CN Amb20669419 [0,0,1,0,0,0|0,0,0]=1 785 B6R0.1 CONC(=S)NN Amb24599672 [0,0,1,0,0,0|1,1,0]=3 786 B6R0.1 CONC(C)CN Amb25822745 [0,0,1,0,0,0|1,0,1]=3 787 B6R0.1 CONC(C)CO Amb24542446 [0,0,1,0,0,0|2,0,1]=4 788 B6R0.1 COSC(=O)NN Amb25274469 [0,0,1,0,0,0|2,0,0]=3 789 B6R0.1 CO\C=C(/F)\CO Amb22546782 [0,0,1,0,0,0|3,0,0]=4 790 B6R0.1 CSCC(=C)CN Amb25048378 [0,0,1,0,0,0|2,1,0]=4 791 B6R0.1 CSCC(=O)NN Amb22058723 [0,0,1,0,0,0|2,1,0]=4 792 B6R0.1 CSCC(Br)C=O Amb25065364 [0,0,1,0,0,0|2,1,0]=4 793 B6R0.1 CSCC(C)C=O Amb20621025 [0,0,1,0,0,0|2,1,0]=4 794 B6R0.1 CSC[C@H](N)C=O Amb24629006 [0,0,1,0,0,0|1,1,0]=3 795 B6R0.1 C[C@@H](CC#N)C=O Amb25828602 [0,0,1,0,0,0|2,0,1]=4 796 B6R0.1 C[C@H](CC#N)C=O Amb25690908 [0,0,1,0,0,0|2,0,1]=4 797 B6R0.1 C\C=C/C(=O)CO Amb24530239 [0,0,1,0,0,0|3,0,0]=4 798 B6R0.1 C\C=C\C(=O)CO Amb24633379 [0,0,1,0,0,0|3,0,0]=4 799 B6R0.1 C\C=C\C(=O)NN Amb25796185 [0,0,1,0,0,0|3,0,0]=4 800 B6R0.1 N#CC[C@@H](O)C=O Amb24633646 [0,0,1,0,0,0|2,0,1]=4 801 B6R0.1 N#CC[C@H](O)C=O Amb24452217 [0,0,1,0,0,0|2,0,1]=4 802 B6R0.1 NC(CCO)C=O Amb25259176 [0,0,1,0,0,0|2,0,0]=3 803 B6R0.1 NCC(=O)CCN Amb18121893 [0,0,1,0,0,0|3,0,0]=4 804 B6R0.1 NCC(=O)CCN Amb22227739 [0,0,1,0,0,0|3,0,0]=4 805 B6R0.1 NCC(=O)CCN Amb22360700 [0,0,1,0,0,0|3,0,0]=4 806 B6R0.1 NCC(=O)OCO Amb22233222 [0,0,1,0,0,0|3,0,0]=4 807 B6R0.1 NCC(F)CON Amb25338207 [0,0,1,0,0,0|2,0,1]=4 808 B6R0.1 NCC(O)CON Amb25340314 [0,0,1,0,0,0|2,0,1]=4 809 B6R0.1 NCCC(N)CO Amb24479824 [0,0,1,0,0,0|1,0,2]=4 810 B6R0.1 NCCC(O)C=O Amb25682881 [0,0,1,0,0,0|2,0,0]=3 811 B6R0.1 NCC[C@H](N)CBr Amb24429127 [0,0,1,0,0,0|2,0,1]=4 812 B6R0.1 NOCC(O)CF Amb25263885 [0,0,1,0,0,0|2,0,1]=4 813 B6R0.1 NOCC(O)CO Amb24397160 [0,0,1,0,0,0|1,0,2]=4 814 B6R0.1 NOC[C@H](O)CO Amb25357185 [0,0,1,0,0,0|1,0,2]=4 815 B6R0.1 O=C(CF)NCCl Amb24560316 [0,0,1,0,0,0|3,0,0]=4 816 B6R0.1 O=CC(F)CCBr Amb24600375 [0,0,1,0,0,0|3,0,0]=4 817 B6R0.1 O=CC(S)CC=O Amb25768520 [0,0,1,0,0,0|3,0,0]=4 818 B6R0.1 O=CNC(=O)CCl Amb25190070 [0,0,1,0,0,0|3,0,0]=4 819 B6R0.1 OCC[C@@H](O)C=O Amb24741761 [0,0,1,0,0,0|3,0,0]=4 820 B6R0.1 OCNC(=O)CBr Amb25286051 [0,0,1,0,0,0|3,0,0]=4 821 B6R0.1 OCNC(=O)CCl Amb1153096 [0,0,1,0,0,0|3,0,0]=4 822 B6R0.1 OCNC(=O)CI Amb24374693 [0,0,1,0,0,0|3,0,0]=4 823 B6R0.1 O[C@@H](CC=O)C=O Amb25169555 [0,0,1,0,0,0|3,0,0]=4 824 B6R0.1 O[C@H](CC=O)C=O Amb25373324 [0,0,1,0,0,0|3,0,0]=4 825 B6R0.3 BrCC(=O)C(C)C Amb17594092 [0,0,1,0,0,0|3,0,0]=4 826 B6R0.3 C#C[C@H](N)C(N)=O Amb25200269 [0,0,1,0,0,0|1,0,1]=3 827 B6R0.3 C#C[C@H](N)C(O)=O Amb22350666 [0,0,1,0,0,0|2,0,1]=4 828 B6R0.3 C=C(CBr)C(N)=O Amb24709965 [0,0,1,0,0,0|2,0,1]=4 829 B6R0.3 C=C(CO)C(=O)Cl Amb25169545 [0,0,1,0,0,0|2,0,1]=4 830 B6R0.3 C=C(CO)C(O)=O Amb18121817 [0,0,1,0,0,0|2,0,1]=4 831 B6R0.3 C=CC(Cl)C(N)=O Amb24479818 [0,0,1,0,0,0|2,0,1]=4 832 B6R0.3 C=CC(N)C(N)=O Amb24689093 [0,0,1,0,0,0|1,0,1]=3 833 B6R0.3 C=CC(N)C(O)=O Amb20240543 [0,0,1,0,0,0|2,0,1]=4 834 B6R0.3 C=C[C@@H](N)C(O)=O Amb20241335 [0,0,1,0,0,0|2,0,1]=4 835 B6R0.3 C=C[C@@H](N)C(O)=O Amb22756048 [0,0,1,0,0,0|2,0,1]=4 836 B6R0.3 C=C[C@@H](O)C(N)=O Amb25791152 [0,0,1,0,0,0|2,0,1]=4 837 B6R0.3 CC(=C)C(=O)CO Amb25041907 [0,0,1,0,0,0|2,0,1]=4 838 B6R0.3 CC(=C)C(=O)NC Amb17934099 [0,0,1,0,0,0|2,0,1]=4 839 B6R0.3 CC(=C)C(=O)NN Amb24432473 [0,0,1,0,0,0|2,0,1]=4 840 B6R0.3 CC(=C)C(Br)CO Amb25707965 [0,0,1,0,0,0|3,0,0]=4 841 B6R0.3 CC(=C)C(N)CS Amb18641941 [0,0,1,0,0,0|2,1,0]=4 842 B6R0.3 CC(=C)C(O)CO Amb23570510 [0,0,1,0,0,0|3,0,0]=4 843 B6R0.3 CC(=C)[C@@H](N)CO Amb25693320 [0,0,1,0,0,0|2,0,0]=3 844 B6R0.3 CC(=C)[C@@H](O)CO Amb25747414 [0,0,1,0,0,0|3,0,0]=4 845 B6R0.3 CC(=C)[C@H](O)CO Amb24439174 [0,0,1,0,0,0|3,0,0]=4 846 B6R0.3 CC(=O)C(=C)CO Amb24571845 [0,0,1,0,0,0|2,0,1]=4 847 B6R0.3 CC(=O)C(Br)CO Amb24649743 [0,0,1,0,0,0|2,0,0]=3 848 B6R0.3 CC(=O)C(Cl)CF Amb24594938 [0,0,1,0,0,0|3,0,0]=4 849 B6R0.3 CC(=O)C(Cl)CO Amb25321596 [0,0,1,0,0,0|2,0,0]=3 850 B6R0.3 CC(=O)C(F)CO Amb24725289 [0,0,1,0,0,0|2,0,0]=3 851 B6R0.3 CC(=O)C(N)=CO Amb25264865 [0,0,1,0,0,0|1,0,2]=4 852 B6R0.3 CC(=O)C(N)C#N Amb25304788 [0,0,1,0,0,0|2,0,1]=4 853 B6R0.3 CC(=O)C(N)CN Amb24479898 [0,0,1,0,0,0|2,0,0]=3 854 B6R0.3 CC(=O)C(N)CO Amb18640011 [0,0,1,0,0,0|1,0,0]=2 855 B6R0.3 CC(=O)C(N)CS Amb24479874 [0,0,1,0,0,0|1,1,0]=3 856 B6R0.3 CC(=O)C(O)CN Amb24636554 [0,0,1,0,0,0|3,0,0]=4 857 B6R0.3 CC(=O)[C@@H](N)CO Amb22745043 [0,0,1,0,0,0|1,0,0]=2 858 B6R0.3 CC(=O)[C@@H](O)CCl Amb24401543 [0,0,1,0,0,0|3,0,0]=4 859 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [0,0,1,0,0,0|2,0,0]=3 860 B6R0.3 CC(=O)[C@H](O)CCl Amb25169511 [0,0,1,0,0,0|3,0,0]=4 861 B6R0.3 CC(=O)[C@H](O)CO Amb25838797 [0,0,1,0,0,0|2,0,0]=3 862 B6R0.3 CC(Br)C(=O)C=O Amb24478903 [0,0,1,0,0,0|2,0,1]=4 863 B6R0.3 CC(Br)C(=O)CCl Amb25685289 [0,0,1,0,0,0|3,0,0]=4 864 B6R0.3 CC(Br)C(=O)NO Amb25109310 [0,0,1,0,0,0|1,0,0]=2 865 B6R0.3 CC(C#N)C(N)=O Amb25336872 [0,0,1,0,0,0|2,0,1]=4 866 B6R0.3 CC(C(=O)C#N)C Amb17231802 [0,0,1,0,0,0|3,0,0]=4 867 B6R0.3 CC(C(=O)C)CO Amb10844844 [0,0,1,0,0,0|2,0,0]=3 868 B6R0.3 CC(C(=O)NO)N Amb2437101 [0,0,1,0,0,0|0,0,0]=1 869 B6R0.3 CC(C)C(=N)NN Amb22411381 [0,0,1,0,0,0|3,0,0]=4 870 B6R0.3 CC(C)C(=O)C#C Amb20671672 [0,0,1,0,0,0|3,0,0]=4 871 B6R0.3 CC(C)C(=O)C=C Amb24507596 [0,0,1,0,0,0|3,0,0]=4 872 B6R0.3 CC(C)C(=O)CF Amb23454760 [0,0,1,0,0,0|3,0,0]=4 873 B6R0.3 CC(C)C(=O)CN Amb18639716 [0,0,1,0,0,0|3,0,0]=4 874 B6R0.3 CC(C)C(=O)CN Amb19515068 [0,0,1,0,0,0|3,0,0]=4 875 B6R0.3 CC(C)C(=O)CO Amb18061654 [0,0,1,0,0,0|2,0,0]=3 876 B6R0.3 CC(C)C(=O)CS Amb25284218 [0,0,1,0,0,0|2,1,0]=4 877 B6R0.3 CC(C)C(C)=NO Amb24529673 [0,0,1,0,0,0|2,0,1]=4 878 B6R0.3 CC(C)C(C)NO Amb25254785 [0,0,1,0,0,0|2,0,1]=4 879 B6R0.3 CC(C)C(Cl)=NO Amb25345474 [0,0,1,0,0,0|2,0,1]=4 880 B6R0.3 CC(C)[C@@H](N)CO Amb22745159 [0,0,1,0,0,0|2,0,1]=4 881 B6R0.3 CC(C=O)C(N)=O Amb24479831 [0,0,1,0,0,0|1,0,2]=4 882 B6R0.3 CC(CBr)C(C)=O Amb25296678 [0,0,1,0,0,0|3,0,0]=4 883 B6R0.3 CC(CBr)C(O)=O Amb22002601 [0,0,1,0,0,0|3,0,0]=4 884 B6R0.3 CC(CCl)C(=O)Cl Amb24479841 [0,0,1,0,0,0|3,0,0]=4 885 B6R0.3 CC(CCl)C(=O)S Amb24410197 [0,0,1,0,0,0|3,0,0]=4 886 B6R0.3 CC(CCl)C(N)=O Amb25061744 [0,0,1,0,0,0|2,0,0]=3 887 B6R0.3 CC(CCl)C(O)=O Amb18522181 [0,0,1,0,0,0|3,0,0]=4 888 B6R0.3 CC(CF)C(C)=O Amb25253758 [0,0,1,0,0,0|3,0,0]=4 889 B6R0.3 CC(CF)C(O)=O Amb24432331 [0,0,1,0,0,0|3,0,0]=4 890 B6R0.3 CC(CI)C(O)=O Amb25695307 [0,0,1,0,0,0|3,0,0]=4 891 B6R0.3 CC(CN)C(=O)Cl Amb24525988 [0,0,1,0,0,0|3,0,0]=4 892 B6R0.3 CC(CN)C(C)=O Amb18639690 [0,0,1,0,0,0|3,0,0]=4 893 B6R0.3 CC(CN)C(N)=S Amb24479604 [0,0,1,0,0,0|2,1,0]=4 894 B6R0.3 CC(CO)C(C)=C Amb24539367 [0,0,1,0,0,0|3,0,0]=4 895 B6R0.3 CC(CO)C(C)N Amb18122199 [0,0,1,0,0,0|2,0,1]=4 896 B6R0.3 CC(CO)C([O-])=O Amb24123145 [0,0,1,0,0,0|2,0,0]=3 897 B6R0.3 CC(CO)S(C)=O Amb25173825 [0,0,1,0,0,0|3,0,0]=4 898 B6R0.3 CC(CS)C(C)=O Amb25830693 [0,0,1,0,0,0|2,1,0]=4 899 B6R0.3 CC(CS)C(N)=O Amb25759660 [0,0,1,0,0,0|1,1,0]=3 900 B6R0.3 CC(Cl)C(=O)C#N Amb25146508 [0,0,1,0,0,0|3,0,0]=4 901 B6R0.3 CC(Cl)C(=O)CBr Amb25088337 [0,0,1,0,0,0|3,0,0]=4 902 B6R0.3 CC(Cl)C(=O)CF Amb24470178 [0,0,1,0,0,0|3,0,0]=4 903 B6R0.3 CC(Cl)C(=O)NN Amb25087323 [0,0,1,0,0,0|2,0,0]=3 904 B6R0.3 CC(Cl)C(=O)NO Amb24385881 [0,0,1,0,0,0|1,0,0]=2 905 B6R0.3 CC(Cl)C(=O)OCl Amb24711028 [0,0,1,0,0,0|3,0,0]=4 906 B6R0.3 CC(Cl)C(Cl)=NO Amb24511502 [0,0,1,0,0,0|2,0,1]=4 907 B6R0.3 CC(Cl)\C(\Cl)=N\O Amb24479763 [0,0,1,0,0,0|2,0,1]=4 908 B6R0.3 CC(F)C(=O)CCl Amb25147615 [0,0,1,0,0,0|3,0,0]=4 909 B6R0.3 CC(F)C(=O)CF Amb25807542 [0,0,1,0,0,0|3,0,0]=4 910 B6R0.3 CC(F)C(=O)CN Amb24596446 [0,0,1,0,0,0|3,0,0]=4 911 B6R0.3 CC(N)C(=O)C=C Amb25801322 [0,0,1,0,0,0|2,0,0]=3 912 B6R0.3 CC(N)C(=O)CBr Amb25108604 [0,0,1,0,0,0|2,0,0]=3 913 B6R0.3 CC(N)C(=O)CN Amb25366245 [0,0,1,0,0,0|2,0,0]=3 914 B6R0.3 CC(N)C(=O)CO Amb24381289 [0,0,1,0,0,0|1,0,0]=2 915 B6R0.3 CC(N)C(=O)NN Amb18061963 [0,0,1,0,0,0|1,0,0]=2 916 B6R0.3 CC(N)C(=O)OBr Amb25841309 [0,0,1,0,0,0|2,0,0]=3 917 B6R0.3 CC(N)C(=O)ON Amb25137168 [0,0,1,0,0,0|2,0,0]=3 918 B6R0.3 CC(N)C(C)=C=C Amb24377579 [0,0,1,0,0,0|3,0,0]=4 919 B6R0.3 CC(N)C(C)=NO Amb24545963 [0,0,1,0,0,0|1,0,1]=3 920 B6R0.3 CC(N)C(N)=NO Amb25144101 [0,0,1,0,0,0|1,0,1]=3 921 B6R0.3 CC(N)C(N)CC Amb25186066 [0,0,1,0,0,0|2,0,1]=4 922 B6R0.3 CC(N)C(O)CO Amb24583121 [0,0,1,0,0,0|1,0,2]=4 923 B6R0.3 CC(N)\C(\C)=N\O Amb24669890 [0,0,1,0,0,0|1,0,1]=3 924 B6R0.3 CC(O)C(=N)NO Amb19516866 [0,0,1,0,0,0|2,0,0]=3 925 B6R0.3 CC(O)C(=O)CBr Amb25268952 [0,0,1,0,0,0|3,0,0]=4 926 B6R0.3 CC(O)C(=O)CO Amb25333809 [0,0,1,0,0,0|2,0,0]=3 927 B6R0.3 CC(O)C(=O)NO Amb25348818 [0,0,1,0,0,0|1,0,0]=2 928 B6R0.3 CC(O)C(=O)O[Ag] Amb22338146 [0,0,1,0,0,0|3,0,0]=4 929 B6R0.3 CC(O)C(=O)O[NH4] Amb22366971 [0,0,1,0,0,0|3,0,0]=4 930 B6R0.3 CC(O)C(=O)O[Na] Amb22051686 [0,0,1,0,0,0|3,0,0]=4 931 B6R0.3 CC(O)C(C)=NO Amb24379868 [0,0,1,0,0,0|2,0,1]=4 932 B6R0.3 CC(O)[C@@H](N)CO Amb22800884 [0,0,1,0,0,0|1,0,2]=4 933 B6R0.3 CC(S)C(=O)NN Amb24479870 [0,0,1,0,0,0|2,0,0]=3 934 B6R0.3 CCC(=C)C(C)N Amb23536388 [0,0,1,0,0,0|3,0,0]=4 935 B6R0.3 CCC(=C)C(N)=O Amb24480748 [0,0,1,0,0,0|2,0,1]=4 936 B6R0.3 CCC(=O)C(C)Cl Amb24093630 [0,0,1,0,0,0|3,0,0]=4 937 B6R0.3 CCC(=O)C(C)N Amb17938952 [0,0,1,0,0,0|2,0,0]=3 938 B6R0.3 CCC(=O)C(C)O Amb24479536 [0,0,1,0,0,0|3,0,0]=4 939 B6R0.3 CCC(=O)C(C)S Amb24323793 [0,0,1,0,0,0|3,0,0]=4 940 B6R0.3 CCC(=O)C(N)=O Amb22011827 [0,0,1,0,0,0|2,0,1]=4 941 B6R0.3 CCC(=O)N(C)N Amb25711736 [0,0,1,0,0,0|3,0,0]=4 942 B6R0.3 CCC(=O)[C@@H](C)Cl Amb24479394 [0,0,1,0,0,0|3,0,0]=4 943 B6R0.3 CCC(=O)[C@H](C)Cl Amb24651068 [0,0,1,0,0,0|3,0,0]=4 944 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [0,0,1,0,0,0|3,0,0]=4 945 B6R0.3 CCC(Br)C(C)=O Amb24615269 [0,0,1,0,0,0|3,0,0]=4 946 B6R0.3 CCC(Br)C(Cl)=O Amb17666758 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.3 CCC(C(=O)Cl)N Amb17593240 [0,0,1,0,0,0|2,0,0]=3 948 B6R0.3 CCC(C(=O)N)Br Amb13952819 [0,0,1,0,0,0|2,0,0]=3 949 B6R0.3 CCC(C(=O)N)N Amb1914080 [0,0,1,0,0,0|1,0,0]=2 950 B6R0.3 CCC(C(=O)O)S Amb17501370 [0,0,1,0,0,0|3,0,0]=4 951 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [0,0,1,0,0,0|3,0,0]=4 952 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [0,0,1,0,0,0|3,0,0]=4 953 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [0,0,1,0,0,0|2,0,0]=3 954 B6R0.3 CCC(F)C(C)=O Amb24736393 [0,0,1,0,0,0|3,0,0]=4 955 B6R0.3 CCC(F)C(N)=O Amb25811426 [0,0,1,0,0,0|2,0,0]=3 956 B6R0.3 CCC(F)C(O)=O Amb25716167 [0,0,1,0,0,0|3,0,0]=4 957 B6R0.3 CCC(I)C(N)=O Amb25131171 [0,0,1,0,0,0|2,0,0]=3 958 B6R0.3 CCC(N)C(=O)S Amb24479075 [0,0,1,0,0,0|2,0,0]=3 959 B6R0.3 CCC(N)C(C)=O Amb18202785 [0,0,1,0,0,0|2,0,0]=3 960 B6R0.3 CCC(N)C(N)=S Amb24573684 [0,0,1,0,0,0|1,1,0]=3 961 B6R0.3 CCC(N)P(O)=O Amb25269903 [0,0,1,0,0,0|3,0,0]=4 962 B6R0.3 CCC(O)C(C)=O Amb25336501 [0,0,1,0,0,0|3,0,0]=4 963 B6R0.3 CCC(O)C(N)=O Amb24116514 [0,0,1,0,0,0|2,0,0]=3 964 B6R0.3 CCC(O)C(N)=S Amb23449332 [0,0,1,0,0,0|2,1,0]=4 965 B6R0.3 CCC(O)C(O)=O Amb22352315 [0,0,1,0,0,0|3,0,0]=4 966 B6R0.3 CCC(O)C(O)=O Amb22360643 [0,0,1,0,0,0|3,0,0]=4 967 B6R0.3 CCC(O)C([O-])=O Amb17943026 [0,0,1,0,0,0|3,0,0]=4 968 B6R0.3 CCC(O)C([O-])=O Amb24325325 [0,0,1,0,0,0|3,0,0]=4 969 B6R0.3 CCC(S)C(N)=O Amb24479879 [0,0,1,0,0,0|2,0,0]=3 970 B6R0.3 CCN(N)C(N)=S Amb25187761 [0,0,1,0,0,0|2,1,0]=4 971 B6R0.3 CCN(O)C(N)=O Amb24669876 [0,0,1,0,0,0|3,0,0]=4 972 B6R0.3 CC[C@@H](Br)C(=O)Cl Amb24582761 [0,0,1,0,0,0|3,0,0]=4 973 B6R0.3 CC[C@@H](Br)C(N)=O Amb25025862 [0,0,1,0,0,0|2,0,0]=3 974 B6R0.3 CC[C@@H](C)C(=O)Cl Amb24577241 [0,0,1,0,0,0|3,0,0]=4 975 B6R0.3 CC[C@@H](C)C(N)=O Amb22232008 [0,0,1,0,0,0|2,0,0]=3 976 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [0,0,1,0,0,0|2,0,0]=3 977 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [0,0,1,0,0,0|3,0,0]=4 978 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [0,0,1,0,0,0|3,0,0]=4 979 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [0,0,1,0,0,0|1,0,0]=2 980 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [0,0,1,0,0,0|1,0,0]=2 981 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [0,0,1,0,0,0|3,0,0]=4 982 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [0,0,1,0,0,0|3,0,0]=4 983 B6R0.3 CC[C@H](Br)C(N)=O Amb24365914 [0,0,1,0,0,0|2,0,0]=3 984 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [0,0,1,0,0,0|3,0,0]=4 985 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [0,0,1,0,0,0|2,0,0]=3 986 B6R0.3 CC[C@H](C)C(C)=O Amb24706969 [0,0,1,0,0,0|3,0,0]=4 987 B6R0.3 CC[C@H](C)C(N)=S Amb25266928 [0,0,1,0,0,0|2,1,0]=4 988 B6R0.3 CC[C@H](Cl)C(=O)Cl Amb24710023 [0,0,1,0,0,0|3,0,0]=4 989 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [0,0,1,0,0,0|3,0,0]=4 990 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [0,0,1,0,0,0|3,0,0]=4 991 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [0,0,1,0,0,0|3,0,0]=4 992 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [0,0,1,0,0,0|2,0,0]=3 993 B6R0.3 CC[N+](N)=C(C)N Amb25107724 [0,0,1,0,0,0|3,0,0]=4 994 B6R0.3 CN(C)C(=O)CO Amb22097716 [0,0,1,0,0,0|3,0,0]=4 995 B6R0.3 CN(C)C(=O)CO Amb22491550 [0,0,1,0,0,0|3,0,0]=4 996 B6R0.3 CN(N)C(=N)NN Amb24580634 [0,0,1,0,0,0|3,0,0]=4 997 B6R0.3 CN(N)C(=O)CCl Amb25229669 [0,0,1,0,0,0|3,0,0]=4 998 B6R0.3 CN(N)C(=S)NN Amb24606178 [0,0,1,0,0,0|2,1,0]=4 999 B6R0.3 CNC(=N)C(C)Cl Amb24372261 [0,0,1,0,0,0|3,0,0]=4 1000 B6R0.3 CNC(=N)N(C)N Amb25142451 [0,0,1,0,0,0|3,0,0]=4 1001 B6R0.3 CNC(=O)C(=O)C Amb17399787 [0,0,1,0,0,0|2,0,1]=4 1002 B6R0.3 CNC(=O)C(Br)C Amb16186558 [0,0,1,0,0,0|2,0,0]=3 1003 B6R0.3 CNC(=O)C(Br)F Amb10840460 [0,0,1,0,0,0|3,0,0]=4 1004 B6R0.3 CNC(=O)C(C)F Amb25789827 [0,0,1,0,0,0|2,0,0]=3 1005 B6R0.3 CNC(=O)C(C)N Amb21958662 [0,0,1,0,0,0|1,0,0]=2 1006 B6R0.3 CNC(=O)C(Cl)F Amb10840462 [0,0,1,0,0,0|3,0,0]=4 1007 B6R0.3 CNC(=O)C(F)F Amb22896390 [0,0,1,0,0,0|3,0,0]=4 1008 B6R0.3 CNC(=O)C(I)F Amb10840465 [0,0,1,0,0,0|3,0,0]=4 1009 B6R0.3 CNC(=O)N(C)F Amb24744494 [0,0,1,0,0,0|3,0,0]=4 1010 B6R0.3 CNC(=O)N(N)C Amb10552388 [0,0,1,0,0,0|2,0,0]=3 1011 B6R0.3 CNC(=O)[C@@H](C)N Amb18538471 [0,0,1,0,0,0|1,0,0]=2 1012 B6R0.3 CNC(=O)[C@@H](C)N Amb22744991 [0,0,1,0,0,0|1,0,0]=2 1013 B6R0.3 CNC(=O)[C@@H](N)C Amb10606813 [0,0,1,0,0,0|1,0,0]=2 1014 B6R0.3 CNC(=O)[C@@H](N)C Amb10876424 [0,0,1,0,0,0|1,0,0]=2 1015 B6R0.3 CNC(=S)C(C)C Amb25190075 [0,0,1,0,0,0|2,1,0]=4 1016 B6R0.3 CNC(=S)N(C)N Amb22497916 [0,0,1,0,0,0|2,1,0]=4 1017 B6R0.3 CNS(=O)C(C)C Amb24709199 [0,0,1,0,0,0|3,0,0]=4 1018 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [0,0,1,0,0,0|3,0,0]=4 1019 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [0,0,1,0,0,0|3,0,0]=4 1020 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [0,0,1,0,0,0|3,0,0]=4 1021 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [0,0,1,0,0,0|3,0,0]=4 1022 B6R0.3 COC(=O)C(C)F Amb20671153 [0,0,1,0,0,0|3,0,0]=4 1023 B6R0.3 COC(=O)C(C)N Amb22492644 [0,0,1,0,0,0|2,0,0]=3 1024 B6R0.3 COC(=O)C(C)S Amb19372611 [0,0,1,0,0,0|3,0,0]=4 1025 B6R0.3 COC(=O)C(N)F Amb25207150 [0,0,1,0,0,0|3,0,0]=4 1026 B6R0.3 COC(=O)C(N)O Amb24563989 [0,0,1,0,0,0|3,0,0]=4 1027 B6R0.3 COC(=O)N(N)C Amb16186697 [0,0,1,0,0,0|3,0,0]=4 1028 B6R0.3 COC(=O)[C@@H](C)Br Amb24711299 [0,0,1,0,0,0|3,0,0]=4 1029 B6R0.3 COC(=O)[C@@H](C)F Amb19887389 [0,0,1,0,0,0|3,0,0]=4 1030 B6R0.3 COC(=O)[C@H](C)F Amb22008235 [0,0,1,0,0,0|3,0,0]=4 1031 B6R0.3 COC(N)C(N)=O Amb25178891 [0,0,1,0,0,0|2,0,0]=3 1032 B6R0.3 COC(N)C(O)=O Amb24621851 [0,0,1,0,0,0|3,0,0]=4 1033 B6R0.3 CSC(=O)C(C)Br Amb25061386 [0,0,1,0,0,0|3,0,0]=4 1034 B6R0.3 CSC(=O)C(C)C Amb25290392 [0,0,1,0,0,0|3,0,0]=4 1035 B6R0.3 C[C@@H](C(=O)O)CN Amb10844022 [0,0,1,0,0,0|3,0,0]=4 1036 B6R0.3 C[C@@H](CBr)C(O)=O Amb24334368 [0,0,1,0,0,0|3,0,0]=4 1037 B6R0.3 C[C@@H](CN)C(O)=O Amb22756746 [0,0,1,0,0,0|3,0,0]=4 1038 B6R0.3 C[C@@H](CO)C(C)=C Amb25025795 [0,0,1,0,0,0|3,0,0]=4 1039 B6R0.3 C[C@@H](CO)C(C)=O Amb25320503 [0,0,1,0,0,0|2,0,0]=3 1040 B6R0.3 C[C@@H](CS)C(O)=O Amb24462697 [0,0,1,0,0,0|2,1,0]=4 1041 B6R0.3 C[C@@H](N)C(=O)CBr Amb25854683 [0,0,1,0,0,0|2,0,0]=3 1042 B6R0.3 C[C@@H](N)C(=O)CCl Amb25351123 [0,0,1,0,0,0|2,0,0]=3 1043 B6R0.3 C[C@@H](N)[C@@H](O)CO Amb19944286 [0,0,1,0,0,0|1,0,2]=4 1044 B6R0.3 C[C@@H](NO)C(O)=O Amb24702625 [0,0,1,0,0,0|3,0,0]=4 1045 B6R0.3 C[C@@H](O)C(=N)NO Amb22587591 [0,0,1,0,0,0|2,0,0]=3 1046 B6R0.3 C[C@@H](O)C(=O)NN Amb25108788 [0,0,1,0,0,0|2,0,0]=3 1047 B6R0.3 C[C@H](C(=O)N)OC Amb17617080 [0,0,1,0,0,0|3,0,0]=4 1048 B6R0.3 C[C@H](C(=O)O)CCl Amb10844008 [0,0,1,0,0,0|3,0,0]=4 1049 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [0,0,1,0,0,0|3,0,0]=4 1050 B6R0.3 C[C@H](CCl)C(O)=O Amb25133056 [0,0,1,0,0,0|3,0,0]=4 1051 B6R0.3 C[C@H](CN)C(O)=O Amb24117452 [0,0,1,0,0,0|3,0,0]=4 1052 B6R0.3 C[C@H](CO)S(C)=O Amb24334035 [0,0,1,0,0,0|3,0,0]=4 1053 B6R0.3 C[C@H](CS)C(O)=O Amb25228453 [0,0,1,0,0,0|2,1,0]=4 1054 B6R0.3 C[C@H](N)C(=O)CBr Amb25811519 [0,0,1,0,0,0|2,0,0]=3 1055 B6R0.3 C[C@H](N)C(=O)CCl Amb24669899 [0,0,1,0,0,0|2,0,0]=3 1056 B6R0.3 C[C@H](N)C(=O)CO Amb25073232 [0,0,1,0,0,0|1,0,0]=2 1057 B6R0.3 C[C@H](N)C(=O)OBr Amb25282363 [0,0,1,0,0,0|2,0,0]=3 1058 B6R0.3 C[C@H](N)[C@@H](O)CO Amb25327107 [0,0,1,0,0,0|1,0,2]=4 1059 B6R0.3 C[C@H](N)[C@H](O)CO Amb24479808 [0,0,1,0,0,0|1,0,2]=4 1060 B6R0.3 C[C@H](O)C(=N)NO Amb22587550 [0,0,1,0,0,0|2,0,0]=3 1061 B6R0.3 C[C@H](O)C(=O)C=C Amb24686568 [0,0,1,0,0,0|3,0,0]=4 1062 B6R0.3 C[C@H](O)[C@H](N)CO Amb24479858 [0,0,1,0,0,0|1,0,2]=4 1063 B6R0.3 C\C(=C\O)\C(N)=O Amb24479832 [0,0,1,0,0,0|1,0,2]=4 1064 B6R0.3 C\C(=N/O)\C(N)=O Amb24680733 [0,0,1,0,0,0|2,0,1]=4 1065 B6R0.3 C\C=C(\C)/C(C)N Amb25680794 [0,0,1,0,0,0|3,0,0]=4 1066 B6R0.3 C\C=C(\N)/C(N)=O Amb24681313 [0,0,1,0,0,0|1,0,2]=4 1067 B6R0.3 ClCC(=O)C(C)C Amb17593235 [0,0,1,0,0,0|3,0,0]=4 1068 B6R0.3 NC(=O)C(=O)CBr Amb24085874 [0,0,1,0,0,0|2,0,1]=4 1069 B6R0.3 NC(=O)C(=O)NO Amb24453454 [0,0,1,0,0,0|1,0,1]=3 1070 B6R0.3 NC(=O)C(Cl)C#N Amb24479825 [0,0,1,0,0,0|2,0,1]=4 1071 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [0,0,1,0,0,0|2,0,0]=3 1072 B6R0.3 NC(=O)C(Cl)CO Amb24392534 [0,0,1,0,0,0|1,0,0]=2 1073 B6R0.3 NC(=O)C(F)CF Amb25128008 [0,0,1,0,0,0|2,0,0]=3 1074 B6R0.3 NC(=O)C(F)CO Amb24507432 [0,0,1,0,0,0|1,0,0]=2 1075 B6R0.3 NC(=O)[C@H](O)CO Amb25732480 [0,0,1,0,0,0|1,0,0]=2 1076 B6R0.3 NC(=O)\C(\I)=N\O Amb25132216 [0,0,1,0,0,0|2,0,1]=4 1077 B6R0.3 NC(C#N)C(O)=O Amb25328320 [0,0,1,0,0,0|2,0,1]=4 1078 B6R0.3 NC(C(=O)N)C#N Amb1039452 [0,0,1,0,0,0|1,0,1]=3 1079 B6R0.3 NC(C(=O)N)CO Amb17593097 [0,0,1,0,0,0|0,0,0]=1 1080 B6R0.3 NC(C(=O)O)CF Amb10839589 [0,0,1,0,0,0|2,0,0]=3 1081 B6R0.3 NC(C(=O)O)CS Amb13961966 [0,0,1,0,0,0|1,1,0]=3 1082 B6R0.3 NC(C(=S)N)C#N Amb1980773 [0,0,1,0,0,0|1,1,1]=4 1083 B6R0.3 NC(C=O)C(O)=O Amb24349579 [0,0,1,0,0,0|1,0,2]=4 1084 B6R0.3 NC(C=S)C(O)=O Amb25227802 [0,0,1,0,0,0|1,1,1]=4 1085 B6R0.3 NC(CCl)C(O)=O Amb19651457 [0,0,1,0,0,0|2,0,0]=3 1086 B6R0.3 NC(CCl)C(O)=O Amb21961077 [0,0,1,0,0,0|2,0,0]=3 1087 B6R0.3 NC(CI)C(O)=O Amb25177412 [0,0,1,0,0,0|2,0,0]=3 1088 B6R0.3 NC(CO)[13C](O)=O Amb22353217 [0,0,1,0,0,0|1,0,0]=2 1089 B6R0.3 NC(CS)C(N)=O Amb18641990 [0,0,1,0,0,0|0,1,0]=2 1090 B6R0.3 NC(CS)C(O)=O Amb22489523 [0,0,1,0,0,0|1,1,0]=3 1091 B6R0.3 NC(CS)P(O)=O Amb25772157 [0,0,1,0,0,0|2,1,0]=4 1092 B6R0.3 NC([13CH2]S)C(O)=O Amb22054824 [0,0,1,0,0,0|1,1,0]=3 1093 B6R0.3 NCC(C(=O)O)Cl Amb17593263 [0,0,1,0,0,0|3,0,0]=4 1094 B6R0.3 NCC(C(=O)O)S Amb17593238 [0,0,1,0,0,0|3,0,0]=4 1095 B6R0.3 NCC(Cl)C(N)=O Amb25173817 [0,0,1,0,0,0|2,0,0]=3 1096 B6R0.3 NCC(F)C(O)=O Amb22733051 [0,0,1,0,0,0|3,0,0]=4 1097 B6R0.3 NCC(N)C(N)=O Amb18122079 [0,0,1,0,0,0|1,0,0]=2 1098 B6R0.3 NCC(N)C(O)=O Amb22899095 [0,0,1,0,0,0|2,0,0]=3 1099 B6R0.3 NC[C@@H](F)C(O)=O Amb25824168 [0,0,1,0,0,0|3,0,0]=4 1100 B6R0.3 NC[C@@H](N)C(O)=O Amb22745957 [0,0,1,0,0,0|2,0,0]=3 1101 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [0,0,1,0,0,0|3,0,0]=4 1102 B6R0.3 NC[C@@H](S)C(N)=O Amb25106293 [0,0,1,0,0,0|2,0,0]=3 1103 B6R0.3 NC[C@H](N)C(N)=O Amb24470655 [0,0,1,0,0,0|1,0,0]=2 1104 B6R0.3 NNC(=O)C(Cl)Cl Amb25227528 [0,0,1,0,0,0|3,0,0]=4 1105 B6R0.3 N[13CH2][13C@H]([13C](=O)O)F Amb17608076 [0,0,1,0,0,0|3,0,0]=4 1106 B6R0.3 N[13CH2][13CH]([13C](=O)O)F Amb17614381 [0,0,1,0,0,0|3,0,0]=4 1107 B6R0.3 N[14CH]([14CH2]O)[14C](O)=O Amb22362940 [0,0,1,0,0,0|1,0,0]=2 1108 B6R0.3 N[C@@H](CCl)C(O)=O Amb22232860 [0,0,1,0,0,0|2,0,0]=3 1109 B6R0.3 N[C@@H](CI)C(O)=O Amb25767583 [0,0,1,0,0,0|2,0,0]=3 1110 B6R0.3 N[C@@H](CO)C(O)=O Amb22351170 [0,0,1,0,0,0|1,0,0]=2 1111 B6R0.3 N[C@@H](CS)C(=O)Cl Amb24562196 [0,0,1,0,0,0|1,1,0]=3 1112 B6R0.3 N[C@@H](CS)C(N)=O Amb23437751 [0,0,1,0,0,0|0,1,0]=2 1113 B6R0.3 N[C@@H](CS)[13C](O)=O Amb22350380 [0,0,1,0,0,0|1,1,0]=3 1114 B6R0.3 N[C@H](C(=O)O)CN Amb16183820 [0,0,1,0,0,0|2,0,0]=3 1115 B6R0.3 N[C@H](CF)C(O)=O Amb24479910 [0,0,1,0,0,0|2,0,0]=3 1116 B6R0.3 N[C@H](CO)C(N)=O Amb22886957 [0,0,1,0,0,0|0,0,0]=1 1117 B6R0.3 N[C@H](CS)C(O)=O Amb17942912 [0,0,1,0,0,0|1,1,0]=3 1118 B6R0.3 N\C(=N/O)\C(=O)N Amb16186552 [0,0,1,0,0,0|1,0,1]=3 1119 B6R0.3 N\C(=N/O)\C(O)=O Amb24670890 [0,0,1,0,0,0|2,0,1]=4 1120 B6R0.3 O=C(Cl)C(F)CCl Amb25324478 [0,0,1,0,0,0|3,0,0]=4 1121 B6R0.3 O=C(S)C(Cl)CCl Amb25112062 [0,0,1,0,0,0|3,0,0]=4 1122 B6R0.3 OC(=O)C(Br)CCl Amb24478864 [0,0,1,0,0,0|3,0,0]=4 1123 B6R0.3 OC(=O)C(CF)Br Amb10605519 [0,0,1,0,0,0|3,0,0]=4 1124 B6R0.3 OC(=O)C(Cl)CBr Amb25227429 [0,0,1,0,0,0|3,0,0]=4 1125 B6R0.3 OC(=O)C(Cl)CCl Amb22228245 [0,0,1,0,0,0|3,0,0]=4 1126 B6R0.3 OC(=O)C(Cl)CF Amb24669144 [0,0,1,0,0,0|3,0,0]=4 1127 B6R0.3 OC(=O)C(Cl)CS Amb18643661 [0,0,1,0,0,0|2,1,0]=4 1128 B6R0.3 OC(=O)C(F)CF Amb24746801 [0,0,1,0,0,0|3,0,0]=4 1129 B6R0.3 OC(=O)C(S)CS Amb18643295 [0,0,1,0,0,0|2,1,0]=4 1130 B6R0.3 OC(=O)[C@H](Cl)CCl Amb25141566 [0,0,1,0,0,0|3,0,0]=4 1131 B6R0.3 OC(CBr)C(O)=O Amb24061932 [0,0,1,0,0,0|3,0,0]=4 1132 B6R0.3 OC(CS)C(O)=O Amb18642053 [0,0,1,0,0,0|2,1,0]=4 1133 B6R0.3 OCC(Br)C(O)=O Amb18126327 [0,0,1,0,0,0|2,0,0]=3 1134 B6R0.3 OCC(C(=O)O)F Amb17593117 [0,0,1,0,0,0|2,0,0]=3 1135 B6R0.3 OCC(C(=O)O)O Amb17593103 [0,0,1,0,0,0|2,0,0]=3 1136 B6R0.3 OCC(C(O)C)N Amb17593100 [0,0,1,0,0,0|1,0,2]=4 1137 B6R0.3 OCC(Cl)C(O)=O Amb18124304 [0,0,1,0,0,0|2,0,0]=3 1138 B6R0.3 OC[C@@H](C(=O)O)Br Amb10601700 [0,0,1,0,0,0|2,0,0]=3 1139 B6R0.3 OC[C@@H](C(=O)O)C Amb10844567 [0,0,1,0,0,0|2,0,0]=3 1140 B6R0.3 OC[C@H](C(=O)O)C Amb10844554 [0,0,1,0,0,0|2,0,0]=3 1141 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [0,0,1,0,0,0|2,0,0]=3 1142 B6R0.3 ONC(=N)C(C)C Amb10070844 [0,0,1,0,0,0|2,0,0]=3 1143 B6R0.3 ONC(O)C(O)=O Amb25832155 [0,0,1,0,0,0|3,0,0]=4 1144 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [0,0,1,0,0,0|3,0,0]=4 1145 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [0,0,1,0,0,0|3,0,0]=4 1146 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [0,0,1,0,0,0|2,1,0]=4 1147 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [0,0,1,0,0,0|3,0,0]=4 1148 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [0,0,1,0,0,0|3,0,0]=4 1149 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](O)=O Amb22354011 [0,0,1,0,0,0|1,1,0]=3 1150 B6R0.3 [15NH2][C@@H](CO)C(O)=O Amb22353589 [0,0,1,0,0,0|1,0,0]=2 1151 B6R0.3 [O-]C(=O)C(=O)CO Amb22360656 [0,0,1,0,0,0|2,0,1]=4 1152 B6R0.3 [O-]C(=O)C(O)CO Amb22045196 [0,0,1,0,0,0|2,0,0]=3 1153 B6R0.3 [O-]C(=O)[C@@H](O)CO Amb22799769 [0,0,1,0,0,0|2,0,0]=3 1154 B6R0.3 [O-]C(=O)[C@H](C[S-])N Amb17621353 [0,0,1,0,0,0|1,1,0]=3 1155 B6R0.3 [O-][N+](=O)C(Br)CO Amb24479795 [0,0,1,0,0,0|3,0,0]=4 1156 B6R0.3 [O-][N+](=O)C(CO)C Amb17600148 [0,0,1,0,0,0|3,0,0]=4 1157 B6R0.6 C#CCOCC=O Amb25123719 [0,0,1,0,0,0|2,0,1]=4 1158 B6R0.6 C#CCOCCN Amb18976416 [0,0,1,0,0,0|2,0,1]=4 1159 B6R0.6 C#CCONC=O Amb25853948 [0,0,1,0,0,0|1,0,1]=3 1160 B6R0.6 C=CCCCCN Amb18639514 [0,0,1,0,0,0|3,0,0]=4 1161 B6R0.6 C=CCCCCN Amb22899138 [0,0,1,0,0,0|3,0,0]=4 1162 B6R0.6 C=CCOCCI Amb24739964 [0,0,1,0,0,0|3,0,0]=4 1163 B6R0.6 C=CCOCCN Amb19033754 [0,0,1,0,0,0|2,0,0]=3 1164 B6R0.6 C=CCOCCS Amb24333486 [0,0,1,0,0,0|3,0,0]=4 1165 B6R0.6 C=C\C=C\CCN Amb18639048 [0,0,1,0,0,0|3,0,0]=4 1166 B6R0.6 CC=NNCCN Amb25083083 [0,0,1,0,0,0|2,0,1]=4 1167 B6R0.6 CCCCNC=C Amb25822786 [0,0,1,0,0,0|3,0,0]=4 1168 B6R0.6 CCCOCC=O Amb24421025 [0,0,1,0,0,0|2,0,0]=3 1169 B6R0.6 CCCONC=O Amb24374223 [0,0,1,0,0,0|1,0,0]=2 1170 B6R0.6 CCCSCC=O Amb24479810 [0,0,1,0,0,0|2,1,0]=4 1171 B6R0.6 CCNOCCC Amb24423538 [0,0,1,0,0,0|2,0,1]=4 1172 B6R0.6 COCCNC=O Amb24334241 [0,0,1,0,0,0|3,0,0]=4 1173 B6R0.6 COCOCCN Amb25314793 [0,0,1,0,0,0|3,0,0]=4 1174 B6R0.6 C\C=C\CCCN Amb25288441 [0,0,1,0,0,0|3,0,0]=4 1175 B6R0.6 C\C=C\OCCCl Amb25076175 [0,0,1,0,0,0|3,0,0]=4 1176 B6R0.6 Cl\C=C\OCCCl Amb24481099 [0,0,1,0,0,0|3,0,0]=4 1177 B6R0.6 N#CCCNC=O Amb18639097 [0,0,1,0,0,0|1,0,2]=4 1178 B6R0.6 N=CCOCCO Amb24407453 [0,0,1,0,0,0|3,0,0]=4 1179 B6R0.6 NCCCNC#N Amb24422880 [0,0,1,0,0,0|2,0,1]=4 1180 B6R0.6 NCCCNCC Amb17315269 [0,0,1,0,0,0|2,0,1]=4 1181 B6R0.6 NCCC\C=C\Cl Amb24479838 [0,0,1,0,0,0|3,0,0]=4 1182 B6R0.6 NCCNCC=C Amb17091015 [0,0,1,0,0,0|3,0,0]=4 1183 B6R0.6 NCCOCC#N Amb18976432 [0,0,1,0,0,0|2,0,1]=4 1184 B6R0.6 NCCOCCCl Amb22036609 [0,0,1,0,0,0|2,0,1]=4 1185 B6R0.6 NCCOCCCl Amb25849262 [0,0,1,0,0,0|2,0,1]=4 1186 B6R0.6 NCCOCCN Amb22347968 [0,0,1,0,0,0|2,0,1]=4 1187 B6R0.6 NCCOCCN Amb2583212 [0,0,1,0,0,0|2,0,1]=4 1188 B6R0.6 NCCOCCS Amb17502015 [0,0,1,0,0,0|1,1,1]=4 1189 B6R0.6 NCCOCC[*] Amb24270966 [0,0,1,0,0,0|2,0,1]=4 1190 B6R0.6 NCCSCC=C Amb13951462 [0,0,1,0,0,0|2,1,0]=4 1191 B6R0.6 O=CCCCCBr Amb18126353 [0,0,1,0,0,0|3,0,0]=4 1192 B6R0.6 O=CCCCCCl Amb18123550 [0,0,1,0,0,0|3,0,0]=4 1193 B6R0.6 O=CCCCCF Amb25725976 [0,0,1,0,0,0|3,0,0]=4 1194 B6R0.6 O=CCCCCI Amb24707459 [0,0,1,0,0,0|3,0,0]=4 1195 B6R0.6 O=CCCNC=O Amb25087053 [0,0,1,0,0,0|2,0,1]=4 1196 B6R0.6 O=CCOCC=O Amb18121758 [0,0,1,0,0,0|2,0,1]=4 1197 B6R0.6 O=CCOCCCl Amb24665263 [0,0,1,0,0,0|2,0,0]=3 1198 B6R0.6 O=CNCCCBr Amb25745639 [0,0,1,0,0,0|2,0,0]=3 1199 B6R0.6 O=CNCCCF Amb25092168 [0,0,1,0,0,0|2,0,0]=3 1200 B6R0.6 O=CNCCCS Amb24659838 [0,0,1,0,0,0|2,0,0]=3 1201 B6R0.6 O=COCCCBr Amb25725047 [0,0,1,0,0,0|3,0,0]=4 1202 B6R0.6 O=COCCCCl Amb24427057 [0,0,1,0,0,0|3,0,0]=4 1203 B6R0.6 O=COCCCF Amb22008204 [0,0,1,0,0,0|3,0,0]=4 1204 B6R0.6 O=COCCCI Amb25839622 [0,0,1,0,0,0|3,0,0]=4 1205 B6R0.6 O=C\C=C\CCF Amb25723268 [0,0,1,0,0,0|3,0,0]=4 1206 B6R0.6 OCCCCC=O Amb10603837 [0,0,1,0,0,0|3,0,0]=4 1207 B6R0.6 OCCCOC=O Amb24733886 [0,0,1,0,0,0|3,0,0]=4 1208 B6R0.6 OCCOCC=O Amb24060822 [0,0,1,0,0,0|2,0,0]=3 1209 B6R0.6 OCCSCC=O Amb24525990 [0,0,1,0,0,0|2,1,0]=4 1210 B6R0.6 OCC\C=C\C=O Amb18119862 [0,0,1,0,0,0|3,0,0]=4 1211 B8R2.4 O=C1CC2CC1C2 Amb24426322 [0,0,0,1,0,0|3,0,0]=4 1212 B8R2.22 C1NC2COCC21 Amb22899039 [0,0,0,1,0,0|2,0,1]=4 1213 B8R2.27 O=C1[C@@H]2C[C@@H]1CC2 Amb25370816 [0,0,0,1,0,0|3,0,0]=4 1214 B8R2.27 O=C1[C@@H]2C[C@H]1CC2 Amb24691711 [0,0,0,1,0,0|3,0,0]=4 1215 B8R2.38 O=C1C=C[C@H]2O[C@@H]12 Amb25245316 [0,0,0,1,0,0|3,0,0]=4 1216 B8R2.38 O=C1CCC2CC12 Amb22736104 [0,0,0,1,0,0|3,0,0]=4 1217 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Amb24623125 [0,0,0,1,0,0|3,0,0]=4 1218 B8R2.38 O=C1CC[C@@H]2O[C@H]12 Amb25025235 [0,0,0,1,0,0|3,0,0]=4 1219 B8R2.38 O=C1CNC2CC12 Amb25104969 [0,0,0,1,0,0|3,0,0]=4 1220 B8R2.38 O=C1NCC2CC12 Amb22546330 [0,0,0,1,0,0|2,0,0]=3 1221 B8R2.38 O=C1NC[C@H]2C[C@@H]12 Amb24654659 [0,0,0,1,0,0|2,0,0]=3 1222 B8R2.38 O=C1NC[C@H]2O[C@@H]12 Amb25261527 [0,0,0,1,0,0|2,0,0]=3 1223 B8R2.38 O=C1OCC2CC12 Amb24113373 [0,0,0,1,0,0|3,0,0]=4 1224 B8R2.38 O=C1OCC2OC12 Amb24061718 [0,0,0,1,0,0|3,0,0]=4 1225 B6R1.4 C=C1CCC1=O Amb25747444 [0,0,0,0,1,0|2,0,1]=4 1226 B6R1.4 C=C1CCC1Br Amb25826187 [0,0,0,0,1,0|3,0,0]=4 1227 B6R1.4 C=C1CCC1I Amb24502672 [0,0,0,0,1,0|3,0,0]=4 1228 B6R1.4 C=C1CNC1=O Amb25213040 [0,0,0,0,1,0|1,0,1]=3 1229 B6R1.4 C=C1OCC1=O Amb24478475 [0,0,0,0,1,0|2,0,1]=4 1230 B6R1.4 CC1=CCC1O Amb25695658 [0,0,0,0,1,0|3,0,0]=4 1231 B6R1.4 CC1CCC1N Amb24117460 [0,0,0,0,1,0|2,0,1]=4 1232 B6R1.4 CC1CNC1=O Amb24444140 [0,0,0,0,1,0|1,0,0]=2 1233 B6R1.4 CC1COC1=O Amb25794274 [0,0,0,0,1,0|1,0,0]=2 1234 B6R1.4 CC1NCC1C Amb25760265 [0,0,0,0,1,0|2,0,1]=4 1235 B6R1.4 CC1NCC1N Amb25024564 [0,0,0,0,1,0|1,0,1]=3 1236 B6R1.4 CC1NCC1O Amb22754478 [0,0,0,0,1,0|2,0,1]=4 1237 B6R1.4 CC1OCC1=O Amb23456088 [0,0,0,0,1,0|2,0,0]=3 1238 B6R1.4 CN1CCC1N Amb24107557 [0,0,0,0,1,0|3,0,0]=4 1239 B6R1.4 CN1CCC1N Amb24680260 [0,0,0,0,1,0|3,0,0]=4 1240 B6R1.4 C[C@@H]1CCC1=O Amb24334317 [0,0,0,0,1,0|2,0,0]=3 1241 B6R1.4 C[C@@H]1CNC1=O Amb24568896 [0,0,0,0,1,0|1,0,0]=2 1242 B6R1.4 C[C@@H]1NCC1O Amb24120609 [0,0,0,0,1,0|2,0,1]=4 1243 B6R1.4 C[C@@H]1NC[C@@H]1N Amb24746748 [0,0,0,0,1,0|1,0,1]=3 1244 B6R1.4 C[C@@H]1NC[C@@H]1O Amb25252257 [0,0,0,0,1,0|2,0,1]=4 1245 B6R1.4 C[C@H]1CCC1=O Amb24333446 [0,0,0,0,1,0|2,0,0]=3 1246 B6R1.4 C[C@H]1NC[C@@H]1N Amb25324290 [0,0,0,0,1,0|1,0,1]=3 1247 B6R1.4 C[C@H]1NC[C@H]1N Amb24516353 [0,0,0,0,1,0|1,0,1]=3 1248 B6R1.4 FC1COC1Cl Amb24478508 [0,0,0,0,1,0|2,0,1]=4 1249 B6R1.4 F[C@@H]1CO[C@H]1Cl Amb25811588 [0,0,0,0,1,0|2,0,1]=4 1250 B6R1.4 NC1CCC1=O Amb22896568 [0,0,0,0,1,0|1,0,0]=2 1251 B6R1.4 NC1CCC1O Amb19148610 [0,0,0,0,1,0|1,0,2]=4 1252 B6R1.4 NC1CCC1S Amb25350185 [0,0,0,0,1,0|1,1,1]=4 1253 B6R1.4 NC1CNC1=O Amb18832512 [0,0,0,0,1,0|0,0,0]=1 1254 B6R1.4 N[C@@H]1CC[C@@H]1N Amb25067470 [0,0,0,0,1,0|2,0,1]=4 1255 B6R1.4 N[C@@H]1CC[C@@H]1O Amb22757952 [0,0,0,0,1,0|1,0,2]=4 1256 B6R1.4 N[C@@H]1CC[C@@H]1O Amb22823228 [0,0,0,0,1,0|1,0,2]=4 1257 B6R1.4 N[C@@H]1CC[C@@H]1S Amb25175773 [0,0,0,0,1,0|1,1,1]=4 1258 B6R1.4 N[C@@H]1CC[C@H]1O Amb22757953 [0,0,0,0,1,0|1,0,2]=4 1259 B6R1.4 N[C@@H]1CC[C@H]1O Amb22823232 [0,0,0,0,1,0|1,0,2]=4 1260 B6R1.4 N[C@@H]1CNC1=O Amb22751418 [0,0,0,0,1,0|0,0,0]=1 1261 B6R1.4 N[C@@H]1COC1=O Amb22748014 [0,0,0,0,1,0|0,0,0]=1 1262 B6R1.4 N[C@@H]1COC1=O Amb22757168 [0,0,0,0,1,0|0,0,0]=1 1263 B6R1.4 N[C@H]1CC[C@@H]1N Amb24571358 [0,0,0,0,1,0|2,0,1]=4 1264 B6R1.4 N[C@H]1CC[C@@H]1O Amb24579886 [0,0,0,0,1,0|1,0,2]=4 1265 B6R1.4 N[C@H]1CC[C@H]1O Amb24580190 [0,0,0,0,1,0|1,0,2]=4 1266 B6R1.4 N[C@H]1CNC1=O Amb25811302 [0,0,0,0,1,0|0,0,0]=1 1267 B6R1.4 O=C1CCC1Br Amb21964157 [0,0,0,0,1,0|2,0,0]=3 1268 B6R1.4 O=C1CCC1C Amb17593022 [0,0,0,0,1,0|2,0,0]=3 1269 B6R1.4 O=C1CCC1Cl Amb19892275 [0,0,0,0,1,0|2,0,0]=3 1270 B6R1.4 O=C1CCC1O Amb17593027 [0,0,0,0,1,0|2,0,0]=3 1271 B6R1.4 O=C1NNC1=O Amb25328306 [0,0,0,0,1,0|2,0,1]=4 1272 B6R1.4 O=C1SCC1Cl Amb24502718 [0,0,0,0,1,0|1,1,0]=3 1273 B6R1.4 OC1CNC1=O Amb24689689 [0,0,0,0,1,0|1,0,0]=2 1274 B6R1.4 [NH3+][C@H]1COC1=O Amb22349488 [0,0,0,0,1,0|0,0,1]=2 1275 B8R1.4 CC1CC(=N)NCC1 Amb19930463 [0,0,0,0,0,1|3,0,0]=4 1276 B8R1.4 CC1CC(=O)NC=C1 Amb24745438 [0,0,0,0,0,1|2,0,1]=4 1277 B8R1.4 CC1CC(=O)NCC1 Amb20668125 [0,0,0,0,0,1|2,0,0]=3 1278 B8R1.4 CC1CC(N)CCN1 Amb23440606 [0,0,0,0,0,1|2,0,1]=4 1279 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,0,0,0,0,1|3,0,0]=4 1280 B8R1.4 CC1CC=NC(=O)N1 Amb24580624 [0,0,0,0,0,1|2,0,1]=4 1281 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,0,0,0,0,1|3,0,0]=4 1282 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,0,0,0,0,1|3,0,0]=4 1283 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,0,0,0,0,1|3,0,0]=4 1284 B8R1.4 CC1CCNC(=N)C1 Amb17616048 [0,0,0,0,0,1|3,0,0]=4 1285 B8R1.4 CC1CCNC(=S)O1 Amb25836339 [0,0,0,0,0,1|2,1,0]=4 1286 B8R1.4 CC1CCNC(C)=N1 Amb25837033 [0,0,0,0,0,1|3,0,0]=4 1287 B8R1.4 CC1CCOC(=O)C1 Amb15693478 [0,0,0,0,0,1|3,0,0]=4 1288 B8R1.4 CC1CNCC(=O)N1 Amb22587525 [0,0,0,0,0,1|3,0,0]=4 1289 B8R1.4 CC1COCC(=O)C1 Amb24431094 [0,0,0,0,0,1|2,0,0]=3 1290 B8R1.4 CC1COCC(=O)N1 Amb10608100 [0,0,0,0,0,1|2,0,0]=3 1291 B8R1.4 CC1CSCC(=O)C1 Amb23568711 [0,0,0,0,0,1|2,1,0]=4 1292 B8R1.4 CC1CSCC(=O)N1 Amb25131602 [0,0,0,0,0,1|2,1,0]=4 1293 B8R1.4 CC=1CCCC(N)C1 Amb18641662 [0,0,0,0,0,1|3,0,0]=4 1294 B8R1.4 CC=1COCC(=O)C1 Amb25065804 [0,0,0,0,0,1|2,0,1]=4 1295 B8R1.4 CC=1NC=CC(N)N1 Amb25278348 [0,0,0,0,0,1|2,0,1]=4 1296 B8R1.4 CN1CC(=O)NCC1 Amb19958159 [0,0,0,0,0,1|3,0,0]=4 1297 B8R1.4 CN1CC(N)CCN1 Amb24639254 [0,0,0,0,0,1|3,0,0]=4 1298 B8R1.4 CN1CCNC(=O)N1 Amb24426756 [0,0,0,0,0,1|3,0,0]=4 1299 B8R1.4 C[C@@H]1CC(=O)CCC1 Amb22799724 [0,0,0,0,0,1|3,0,0]=4 1300 B8R1.4 C[C@@H]1CC(=O)NCC1 Amb25739591 [0,0,0,0,0,1|2,0,0]=3 1301 B8R1.4 C[C@@H]1CC=CC(=O)N1 Amb25062539 [0,0,0,0,0,1|3,0,0]=4 1302 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,0,0,0,0,1|3,0,0]=4 1303 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22504491 [0,0,0,0,0,1|3,0,0]=4 1304 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22748720 [0,0,0,0,0,1|3,0,0]=4 1305 B8R1.4 C[C@@H]1COCC(=O)C1 Amb25746655 [0,0,0,0,0,1|2,0,0]=3 1306 B8R1.4 C[C@@H]1COCC(=O)N1 Amb15693112 [0,0,0,0,0,1|2,0,0]=3 1307 B8R1.4 C[C@H]1CC(=O)CCC1 Amb21618704 [0,0,0,0,0,1|3,0,0]=4 1308 B8R1.4 C[C@H]1CC=CC(=O)C1 Amb25723295 [0,0,0,0,0,1|3,0,0]=4 1309 B8R1.4 C[C@H]1CC=CC(=O)N1 Amb25326479 [0,0,0,0,0,1|3,0,0]=4 1310 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,0,0,0,0,1|3,0,0]=4 1311 B8R1.4 C[C@H]1CCCC(=O)N1 Amb25327957 [0,0,0,0,0,1|3,0,0]=4 1312 B8R1.4 C[C@H]1CNCC(=O)N1 Amb22304821 [0,0,0,0,0,1|3,0,0]=4 1313 B8R1.4 C[C@H]1CNCC(=O)N1 Amb23385344 [0,0,0,0,0,1|3,0,0]=4 1314 B8R1.4 C[C@H]1COCC(=O)N1 Amb22232054 [0,0,0,0,0,1|2,0,0]=3 1315 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,0,0,0,0,1|2,0,1]=4 1316 B8R1.4 NC1=CC(=O)NC=C1 Amb18641608 [0,0,0,0,0,1|1,0,2]=4 1317 B8R1.4 NC1=CC(=O)NN=C1 Amb18641633 [0,0,0,0,0,1|1,0,2]=4 1318 B8R1.4 NC1=CCNC(=O)N1 Amb25799600 [0,0,0,0,0,1|1,0,2]=4 1319 B8R1.4 NC1=NC(=O)NC=N1 Amb18641678 [0,0,0,0,0,1|2,0,1]=4 1320 B8R1.4 NC1=NC(=O)NC=N1 Amb20662944 [0,0,0,0,0,1|2,0,1]=4 1321 B8R1.4 NC1C=NNC(=S)N1 Amb25075000 [0,0,0,0,0,1|1,1,1]=4 1322 B8R1.4 NC1CC(=O)CCC1 Amb23440459 [0,0,0,0,0,1|2,0,0]=3 1323 B8R1.4 NC1CC(=O)NC=C1 Amb10552502 [0,0,0,0,0,1|1,0,1]=3 1324 B8R1.4 NC1CC(=O)NCC1 Amb19957631 [0,0,0,0,0,1|1,0,0]=2 1325 B8R1.4 NC1CC(=O)NCC1 Amb21960626 [0,0,0,0,0,1|1,0,0]=2 1326 B8R1.4 NC1CC(=O)OCC1 Amb18641823 [0,0,0,0,0,1|2,0,0]=3 1327 B8R1.4 NC1CC(N)=NCC1 Amb25225367 [0,0,0,0,0,1|2,0,1]=4 1328 B8R1.4 NC1CC(O)COC1 Amb24526934 [0,0,0,0,0,1|1,0,2]=4 1329 B8R1.4 NC1CCNC(=O)C1 Amb10067177 [0,0,0,0,0,1|1,0,0]=2 1330 B8R1.4 NC1CCNC(=S)N1 Amb25205341 [0,0,0,0,0,1|1,1,0]=3 1331 B8R1.4 NC1CNNC(=O)N1 Amb24559373 [0,0,0,0,0,1|1,0,0]=2 1332 B8R1.4 NC1CS(=O)CCC1 Amb18124391 [0,0,0,0,0,1|3,0,0]=4 1333 B8R1.4 NC=1C=CNC(=O)N1 Amb18511886 [0,0,0,0,0,1|1,0,2]=4 1334 B8R1.4 NC=1C=CNC(=O)N1 Amb22015246 [0,0,0,0,0,1|1,0,2]=4 1335 B8R1.4 NC=1C=C[15NH]C(=O)[15N]1 Amb22367517 [0,0,0,0,0,1|1,0,2]=4 1336 B8R1.4 NC=1C=C[15NH][13C](=O)[15N]1 Amb19131374 [0,0,0,0,0,1|1,0,2]=4 1337 B8R1.4 NC=1C=NNC(=O)N1 Amb18369126 [0,0,0,0,0,1|1,0,2]=4 1338 B8R1.4 NC=1CC=NC(=O)N1 Amb24091184 [0,0,0,0,0,1|1,0,2]=4 1339 B8R1.4 NC=1CCCC(=O)N1 Amb24525241 [0,0,0,0,0,1|2,0,1]=4 1340 B8R1.4 NC=1CCNC(=O)C1 Amb22229455 [0,0,0,0,0,1|1,0,1]=3 1341 B8R1.4 NC=1CCNC(=O)N1 Amb24481491 [0,0,0,0,0,1|1,0,1]=3 1342 B8R1.4 NC=1COCC(=O)C1 Amb25785409 [0,0,0,0,0,1|1,0,1]=3 1343 B8R1.4 NC=1CONC(=O)N1 Amb24698901 [0,0,0,0,0,1|0,0,1]=2 1344 B8R1.4 N[C@@H]1CC(=O)NCC1 Amb25168718 [0,0,0,0,0,1|1,0,0]=2 1345 B8R1.4 N[C@H]1CC(=O)OCC1 Amb24550653 [0,0,0,0,0,1|2,0,0]=3 1346 B8R1.4 N[C@H]1CS(=O)CCC1 Amb25168909 [0,0,0,0,0,1|3,0,0]=4 1347 B8R1.4 O=C1C=C(Br)CCN1 Amb23400583 [0,0,0,0,0,1|2,0,1]=4 1348 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,0,0,0,0,1|2,0,1]=4 1349 B8R1.4 O=C1CC(Cl)CNN1 Amb22728306 [0,0,0,0,0,1|2,0,0]=3 1350 B8R1.4 O=C1CC(F)CCC1 Amb24578309 [0,0,0,0,0,1|3,0,0]=4 1351 B8R1.4 O=C1CC(I)CCC1 Amb24436778 [0,0,0,0,0,1|3,0,0]=4 1352 B8R1.4 O=C1CC(I)CCN1 Amb24387789 [0,0,0,0,0,1|2,0,0]=3 1353 B8R1.4 O=C1CC(I)CNN1 Amb25250615 [0,0,0,0,0,1|2,0,0]=3 1354 B8R1.4 O=C1CC(S)CCC1 Amb25205406 [0,0,0,0,0,1|3,0,0]=4 1355 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,0,0,0,0,1|2,0,1]=4 1356 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,0,0,0,0,1|2,0,1]=4 1357 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,0,0,0,0,1|2,0,1]=4 1358 B8R1.4 O=C1COCC(=O)C1 Amb22292040 [0,0,0,0,0,1|2,0,1]=4 1359 B8R1.4 O=C1COCC(=O)C1 Amb22406411 [0,0,0,0,0,1|2,0,1]=4 1360 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,0,0,0,0,1|2,0,1]=4 1361 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,0,0,0,0,1|2,0,1]=4 1362 B8R1.4 O=C1NC(=S)CCN1 Amb25266952 [0,0,0,0,0,1|2,0,1]=4 1363 B8R1.4 O=C1NC(=S)CON1 Amb24481585 [0,0,0,0,0,1|1,0,1]=3 1364 B8R1.4 O=C1NOCC(=O)N1 Amb25270094 [0,0,0,0,0,1|1,0,1]=3 1365 B8R1.4 O=C1[CH-]C(=O)COC1 Amb20241003 [0,0,0,0,0,1|2,0,1]=4 1366 B8R1.4 OC1C=NNC(=O)N1 Amb25082114 [0,0,0,0,0,1|2,0,1]=4 1367 B8R1.4 OC1CC(=O)CCC1 Amb22754759 [0,0,0,0,0,1|3,0,0]=4 1368 B8R1.4 OC1CC(=O)OCC1 Amb24475154 [0,0,0,0,0,1|3,0,0]=4 1369 B8R1.4 OC1CCNC(=O)C1 Amb10602744 [0,0,0,0,0,1|2,0,0]=3 1370 B8R1.4 OC1CNCC(=O)N1 Amb24446977 [0,0,0,0,0,1|3,0,0]=4 1371 B8R1.4 O[C@@H]1CC(=O)NCC1 Amb22744924 [0,0,0,0,0,1|2,0,0]=3 1372 B8R1.4 O[C@@H]1CCNC(=O)C1 Amb17845212 [0,0,0,0,0,1|2,0,0]=3 1373 B8R1.4 O[C@H]1CC(=O)CCC1 Amb25320136 [0,0,0,0,0,1|3,0,0]=4 1374 B8R1.4 O[C@H]1CC(=O)OCC1 Amb25320391 [0,0,0,0,0,1|3,0,0]=4 1375 B8R1.4 [15NH2]C1=[15N]C(=O)[15NH]C=[15N]1 Amb19130601 [0,0,0,0,0,1|2,0,1]=4 1376 B8R1.4 [O-]C1COCC(=O)C1 Amb22739834 [0,0,0,0,0,1|2,0,0]=3 1377 B8R1.5 Br[C@@H]1CCCCC1=O Amb16234120 [0,0,0,0,0,1|3,0,0]=4 1378 B8R1.5 C=C1CCOCC1O Amb24363585 [0,0,0,0,0,1|3,0,0]=4 1379 B8R1.5 C=C1COCCC1=O Amb18063600 [0,0,0,0,0,1|2,0,1]=4 1380 B8R1.5 CC1=CCCCC1N Amb18641661 [0,0,0,0,0,1|3,0,0]=4 1381 B8R1.5 CC1=CCCC[C@H]1N Amb25339311 [0,0,0,0,0,1|3,0,0]=4 1382 B8R1.5 CC1=CCCNC1=O Amb25127954 [0,0,0,0,0,1|2,0,1]=4 1383 B8R1.5 CC1=CCNCC1N Amb24507340 [0,0,0,0,0,1|3,0,0]=4 1384 B8R1.5 CC1=NOCCC1Br Amb24558565 [0,0,0,0,0,1|2,0,1]=4 1385 B8R1.5 CC1=NOCCC1Cl Amb25337048 [0,0,0,0,0,1|2,0,1]=4 1386 B8R1.5 CC1CC=CCC1=O Amb17593140 [0,0,0,0,0,1|3,0,0]=4 1387 B8R1.5 CC1CC=NNC1=O Amb22752103 [0,0,0,0,0,1|2,0,0]=3 1388 B8R1.5 CC1CCC=CC1=O Amb17593138 [0,0,0,0,0,1|3,0,0]=4 1389 B8R1.5 CC1CCCNC1=S Amb25104722 [0,0,0,0,0,1|2,1,0]=4 1390 B8R1.5 CC1CCNNC1=O Amb25169591 [0,0,0,0,0,1|2,0,0]=3 1391 B8R1.5 CC1CCOCC1=O Amb25718285 [0,0,0,0,0,1|2,0,0]=3 1392 B8R1.5 CC1CNCCC1=O Amb19888361 [0,0,0,0,0,1|3,0,0]=4 1393 B8R1.5 CC1CNCCC1=O Amb22490481 [0,0,0,0,0,1|3,0,0]=4 1394 B8R1.5 CC1CNCCC1N Amb23440690 [0,0,0,0,0,1|2,0,1]=4 1395 B8R1.5 CC1COCCC1=O Amb21856147 [0,0,0,0,0,1|2,0,0]=3 1396 B8R1.5 CC1COCCC1N Amb18833016 [0,0,0,0,0,1|2,0,1]=4 1397 B8R1.5 CC1NCCCC1N Amb24715672 [0,0,0,0,0,1|2,0,1]=4 1398 B8R1.5 CC1NCCNC1=O Amb2189174 [0,0,0,0,0,1|2,0,0]=3 1399 B8R1.5 CC1OCCNC1=O Amb19517095 [0,0,0,0,0,1|2,0,0]=3 1400 B8R1.5 CC1SC=CNC1=O Amb24507695 [0,0,0,0,0,1|2,0,1]=4 1401 B8R1.5 CC1SCCOC1=O Amb25255546 [0,0,0,0,0,1|3,0,0]=4 1402 B8R1.5 CC=1CNOCC1C Amb19651312 [0,0,0,0,0,1|2,0,1]=4 1403 B8R1.5 CC=1CNOCC1C Amb21961473 [0,0,0,0,0,1|2,0,1]=4 1404 B8R1.5 CN1CCNCC1=O Amb21955857 [0,0,0,0,0,1|3,0,0]=4 1405 B8R1.5 CN1CCOCC1=O Amb22301593 [0,0,0,0,0,1|3,0,0]=4 1406 B8R1.5 C[C@@H]1CCCCC1=O Amb25693013 [0,0,0,0,0,1|3,0,0]=4 1407 B8R1.5 C[C@@H]1CCCNC1=O Amb25694356 [0,0,0,0,0,1|2,0,0]=3 1408 B8R1.5 C[C@@H]1COCC[C@@H]1N Amb22745852 [0,0,0,0,0,1|2,0,1]=4 1409 B8R1.5 C[C@@H]1COCC[C@H]1N Amb23440138 [0,0,0,0,0,1|2,0,1]=4 1410 B8R1.5 C[C@@H]1NCCNC1=O Amb18203363 [0,0,0,0,0,1|2,0,0]=3 1411 B8R1.5 C[C@@H]1OCCNC1=O Amb24465112 [0,0,0,0,0,1|2,0,0]=3 1412 B8R1.5 C[C@H]1CNCC[C@H]1N Amb24597622 [0,0,0,0,0,1|2,0,1]=4 1413 B8R1.5 C[C@H]1COCC[C@H]1N Amb22736636 [0,0,0,0,0,1|2,0,1]=4 1414 B8R1.5 C[C@H]1NCCNC1=O Amb22336965 [0,0,0,0,0,1|2,0,0]=3 1415 B8R1.5 ClC1CCCCC1=O Amb1154371 [0,0,0,0,0,1|3,0,0]=4 1416 B8R1.5 FC1CCCCC1=O Amb10605769 [0,0,0,0,0,1|3,0,0]=4 1417 B8R1.5 NC1=CC=CNC1=O Amb18641609 [0,0,0,0,0,1|1,0,2]=4 1418 B8R1.5 NC1=CC=NNC1=O Amb18641632 [0,0,0,0,0,1|1,0,2]=4 1419 B8R1.5 NC1=CN=CNC1=O Amb21927715 [0,0,0,0,0,1|1,0,2]=4 1420 B8R1.5 NC1=NC=CNC1=O Amb22388516 [0,0,0,0,0,1|1,0,2]=4 1421 B8R1.5 NC1C=NC=NC1=O Amb22015333 [0,0,0,0,0,1|1,0,2]=4 1422 B8R1.5 NC1CCCC=C1Cl Amb18124341 [0,0,0,0,0,1|3,0,0]=4 1423 B8R1.5 NC1CCCCC1=O Amb17939051 [0,0,0,0,0,1|2,0,0]=3 1424 B8R1.5 NC1CCCCC1=O Amb22001819 [0,0,0,0,0,1|2,0,0]=3 1425 B8R1.5 NC1CCCNC1N Amb24481462 [0,0,0,0,0,1|2,0,1]=4 1426 B8R1.5 NC1CCNCC1O Amb22388661 [0,0,0,0,0,1|1,0,2]=4 1427 B8R1.5 NC1CCOCC1F Amb22436824 [0,0,0,0,0,1|2,0,1]=4 1428 B8R1.5 NC1CCOCC1O Amb18198453 [0,0,0,0,0,1|1,0,2]=4 1429 B8R1.5 NC1CCONC1=O Amb22295935 [0,0,0,0,0,1|0,0,0]=1 1430 B8R1.5 NC1COCCC1=O Amb18833021 [0,0,0,0,0,1|1,0,0]=2 1431 B8R1.5 NC1COCCC1Cl Amb24550562 [0,0,0,0,0,1|2,0,1]=4 1432 B8R1.5 NC1COCCC1F Amb22490372 [0,0,0,0,0,1|2,0,1]=4 1433 B8R1.5 NC1COCCC1N Amb18202752 [0,0,0,0,0,1|2,0,1]=4 1434 B8R1.5 NC1COCCC1O Amb18198755 [0,0,0,0,0,1|1,0,2]=4 1435 B8R1.5 NN1CCCCC1=O Amb13952152 [0,0,0,0,0,1|3,0,0]=4 1436 B8R1.5 NN1CCCCC1=O Amb22275946 [0,0,0,0,0,1|3,0,0]=4 1437 B8R1.5 NN1CCCNC1=O Amb25343173 [0,0,0,0,0,1|2,0,0]=3 1438 B8R1.5 N[C@@H]1CCCCC1=O Amb25727179 [0,0,0,0,0,1|2,0,0]=3 1439 B8R1.5 N[C@@H]1CCCNC1=O Amb19943908 [0,0,0,0,0,1|1,0,0]=2 1440 B8R1.5 N[C@@H]1CCCNC1=O Amb22388613 [0,0,0,0,0,1|1,0,0]=2 1441 B8R1.5 N[C@@H]1CCOC[C@@H]1F Amb23439434 [0,0,0,0,0,1|2,0,1]=4 1442 B8R1.5 N[C@@H]1CCOC[C@@H]1F Amb25780287 [0,0,0,0,0,1|2,0,1]=4 1443 B8R1.5 N[C@@H]1CCOC[C@@H]1O Amb22406155 [0,0,0,0,0,1|1,0,2]=4 1444 B8R1.5 N[C@@H]1CCOC[C@@H]1O Amb23385312 [0,0,0,0,0,1|1,0,2]=4 1445 B8R1.5 N[C@@H]1CCOC[C@H]1F Amb23439433 [0,0,0,0,0,1|2,0,1]=4 1446 B8R1.5 N[C@@H]1CCOC[C@H]1F Amb25168837 [0,0,0,0,0,1|2,0,1]=4 1447 B8R1.5 N[C@@H]1CCOC[C@H]1O Amb22406158 [0,0,0,0,0,1|1,0,2]=4 1448 B8R1.5 N[C@@H]1CCOC[C@H]1O Amb23385253 [0,0,0,0,0,1|1,0,2]=4 1449 B8R1.5 N[C@@H]1COCC[C@@H]1O Amb23385320 [0,0,0,0,0,1|1,0,2]=4 1450 B8R1.5 N[C@@H]1COCC[C@H]1N Amb24120364 [0,0,0,0,0,1|2,0,1]=4 1451 B8R1.5 N[C@@H]1COCC[C@H]1O Amb22748653 [0,0,0,0,0,1|1,0,2]=4 1452 B8R1.5 N[C@@H]1COCC[C@H]1O Amb23385302 [0,0,0,0,0,1|1,0,2]=4 1453 B8R1.5 N[C@H]1COCC[C@@H]1O Amb25231772 [0,0,0,0,0,1|1,0,2]=4 1454 B8R1.5 N[C@H]1COCC[C@H]1N Amb25231209 [0,0,0,0,0,1|2,0,1]=4 1455 B8R1.5 N[C@H]1COCC[C@H]1O Amb24617518 [0,0,0,0,0,1|1,0,2]=4 1456 B8R1.5 O=C1C=CCCC1Cl Amb25700953 [0,0,0,0,0,1|3,0,0]=4 1457 B8R1.5 O=C1C=COCC1=O Amb24100791 [0,0,0,0,0,1|2,0,1]=4 1458 B8R1.5 O=C1CCCCC1S Amb25839265 [0,0,0,0,0,1|3,0,0]=4 1459 B8R1.5 O=C1CCCC[C@@H]1Br Amb24524273 [0,0,0,0,0,1|3,0,0]=4 1460 B8R1.5 O=C1CCCC[C@@H]1Cl Amb24483264 [0,0,0,0,0,1|3,0,0]=4 1461 B8R1.5 O=C1CCCC[C@@H]1F Amb24379012 [0,0,0,0,0,1|3,0,0]=4 1462 B8R1.5 O=C1CCNCC1Br Amb20242103 [0,0,0,0,0,1|3,0,0]=4 1463 B8R1.5 O=C1CCNCC1Br Amb21520330 [0,0,0,0,0,1|3,0,0]=4 1464 B8R1.5 O=C1CCNCC1F Amb13885958 [0,0,0,0,0,1|3,0,0]=4 1465 B8R1.5 O=C1CCNCC1F Amb22002662 [0,0,0,0,0,1|3,0,0]=4 1466 B8R1.5 O=C1CCNC[C@@H]1F Amb24670514 [0,0,0,0,0,1|3,0,0]=4 1467 B8R1.5 O=C1CCOCC1Br Amb21864837 [0,0,0,0,0,1|2,0,0]=3 1468 B8R1.5 O=C1CCOCC1Cl Amb21857938 [0,0,0,0,0,1|2,0,0]=3 1469 B8R1.5 O=C1CCOCC1F Amb19958536 [0,0,0,0,0,1|2,0,0]=3 1470 B8R1.5 O=C1CCOC[C@@H]1Cl Amb24723222 [0,0,0,0,0,1|2,0,0]=3 1471 B8R1.5 O=C1CCOC[C@H]1F Amb24732439 [0,0,0,0,0,1|2,0,0]=3 1472 B8R1.5 O=C1CCSCC1Br Amb22493812 [0,0,0,0,0,1|2,1,0]=4 1473 B8R1.5 O=C1CNCCN1C Amb1834069 [0,0,0,0,0,1|3,0,0]=4 1474 B8R1.5 O=C1COC=CC1F Amb25842503 [0,0,0,0,0,1|2,0,1]=4 1475 B8R1.5 O=C1COCCC1=O Amb25712943 [0,0,0,0,0,1|2,0,1]=4 1476 B8R1.5 O=C1COCCC1Br Amb24416092 [0,0,0,0,0,1|2,0,0]=3 1477 B8R1.5 O=C1NCCC=C1F Amb24377281 [0,0,0,0,0,1|2,0,1]=4 1478 B8R1.5 O=C1NCCCC1=O Amb2445649 [0,0,0,0,0,1|2,0,1]=4 1479 B8R1.5 O=C1NCCCC1Br Amb20669047 [0,0,0,0,0,1|2,0,0]=3 1480 B8R1.5 O=C1NCCCC1Cl Amb24472253 [0,0,0,0,0,1|2,0,0]=3 1481 B8R1.5 O=C1NCCCC1F Amb13888988 [0,0,0,0,0,1|2,0,0]=3 1482 B8R1.5 O=C1NCCCC1I Amb24355271 [0,0,0,0,0,1|2,0,0]=3 1483 B8R1.5 O=C1NCCCC1N Amb1088746 [0,0,0,0,0,1|1,0,0]=2 1484 B8R1.5 O=C1NCCCC1O Amb10602315 [0,0,0,0,0,1|2,0,0]=3 1485 B8R1.5 O=C1NCCCN1C Amb10608416 [0,0,0,0,0,1|3,0,0]=4 1486 B8R1.5 O=C1NCCC[C@@H]1N Amb10603272 [0,0,0,0,0,1|1,0,0]=2 1487 B8R1.5 O=C1NN=CNC1C Amb10560463 [0,0,0,0,0,1|2,0,1]=4 1488 B8R1.5 O=C1NNNCC1=O Amb24703029 [0,0,0,0,0,1|2,0,1]=4 1489 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,0,0,0,0,1|3,0,0]=4 1490 B8R1.5 O=C1OCCCN1N Amb17608306 [0,0,0,0,0,1|3,0,0]=4 1491 B8R1.5 O=C1OCCNC1=O Amb24120265 [0,0,0,0,0,1|2,0,1]=4 1492 B8R1.5 O=C1SCCSC1Cl Amb25026142 [0,0,0,0,0,1|3,0,0]=4 1493 B8R1.5 OC1CCCOC1=O Amb19959000 [0,0,0,0,0,1|3,0,0]=4 1494 B8R1.5 OC1CNCCC1=O Amb24075970 [0,0,0,0,0,1|3,0,0]=4 1495 B8R1.5 OC1CNCNC1=O Amb25300748 [0,0,0,0,0,1|2,0,0]=3 1496 B8R1.5 OC1COC=CC1=O Amb25094706 [0,0,0,0,0,1|2,0,0]=3 1497 B8R1.5 OC1OCCCC1=O Amb24645841 [0,0,0,0,0,1|3,0,0]=4 1498 B8R1.5 O[C@@H]1CCCNC1=O Amb22225342 [0,0,0,0,0,1|2,0,0]=3 1499 B8R1.5 O[C@@H]1COCCC1=O Amb25086646 [0,0,0,0,0,1|2,0,0]=3 1500 B8R1.5 O[C@H]1CCC=CC1=O Amb25263127 [0,0,0,0,0,1|3,0,0]=4 1501 B8R1.5 O[C@H]1CCCNC1=O Amb22226682 [0,0,0,0,0,1|2,0,0]=3 1502 B5R0.1 BC(=O)NCC Amb22343194 [1,0,1,0,0,0|2,0,0]=4 1503 B5R0.1 C/C=C/C(C)=O Amb17940030 [1,0,1,0,0,0|2,0,0]=4 1504 B5R0.1 C=C(Br)CON Amb24442132 [1,0,1,0,0,0|1,0,1]=4 1505 B5R0.1 C=C(F)CCO Amb25747437 [1,0,1,0,0,0|2,0,0]=4 1506 B5R0.1 C=CNC(N)=O Amb25082241 [1,0,1,0,0,0|1,0,1]=4 1507 B5R0.1 C=NNC(N)=O Amb24567354 [1,0,1,0,0,0|1,0,1]=4 1508 B5R0.1 CC#CC(=O)C Amb17593016 [1,0,1,0,0,0|2,0,0]=4 1509 B5R0.1 CC#CC(=O)N Amb10552409 [1,0,1,0,0,0|2,0,0]=4 1510 B5R0.1 CC(=C)CON Amb18560218 [1,0,1,0,0,0|1,0,1]=4 1511 B5R0.1 CC(=O)CCBr Amb24078246 [1,0,1,0,0,0|2,0,0]=4 1512 B5R0.1 CC(=O)CCN Amb10067110 [1,0,1,0,0,0|2,0,0]=4 1513 B5R0.1 CC(=O)CCN Amb18632933 [1,0,1,0,0,0|2,0,0]=4 1514 B5R0.1 CC(=O)CON Amb25128844 [1,0,1,0,0,0|1,0,1]=4 1515 B5R0.1 CC(=O)NC#N Amb17772293 [1,0,1,0,0,0|2,0,0]=4 1516 B5R0.1 CC(=O)NC#P Amb24356543 [1,0,1,0,0,0|2,0,0]=4 1517 B5R0.1 CC(=O)NC=C Amb24323579 [1,0,1,0,0,0|1,0,1]=4 1518 B5R0.1 CC(=O)NC=S Amb24390998 [1,0,1,0,0,0|2,0,0]=4 1519 B5R0.1 CC(=O)NCCl Amb25790034 [1,0,1,0,0,0|2,0,0]=4 1520 B5R0.1 CC(=O)NCS Amb25124326 [1,0,1,0,0,0|2,0,0]=4 1521 B5R0.1 CC(C)CON Amb19889788 [1,0,1,0,0,0|1,0,1]=4 1522 B5R0.1 CC(Cl)\C=C\O Amb22734803 [1,0,1,0,0,0|2,0,0]=4 1523 B5R0.1 CC(N)CCN Amb18951361 [1,0,1,0,0,0|1,0,1]=4 1524 B5R0.1 CC(N)CCN Amb19338152 [1,0,1,0,0,0|1,0,1]=4 1525 B5R0.1 CC(N)CNN Amb24680308 [1,0,1,0,0,0|1,0,1]=4 1526 B5R0.1 CC(O)C=NO Amb24583649 [1,0,1,0,0,0|1,0,1]=4 1527 B5R0.1 CC(O)CNO Amb24333693 [1,0,1,0,0,0|1,0,1]=4 1528 B5R0.1 CC(O)CON Amb21962618 [1,0,1,0,0,0|1,0,1]=4 1529 B5R0.1 CC(O)CON Amb22491794 [1,0,1,0,0,0|1,0,1]=4 1530 B5R0.1 CC(\C=N\O)C Amb2455920 [1,0,1,0,0,0|1,0,1]=4 1531 B5R0.1 CC=CC(C)=O Amb24061083 [1,0,1,0,0,0|2,0,0]=4 1532 B5R0.1 CC=CC(C)N Amb19514513 [1,0,1,0,0,0|2,0,0]=4 1533 B5R0.1 CCCC(=N)N Amb10610381 [1,0,1,0,0,0|2,0,0]=4 1534 B5R0.1 CCCC(=O)Br Amb22734023 [1,0,1,0,0,0|2,0,0]=4 1535 B5R0.1 CCCC([O-])=O Amb17772223 [1,0,1,0,0,0|2,0,0]=4 1536 B5R0.1 CCCC([O-])=O Amb22732283 [1,0,1,0,0,0|2,0,0]=4 1537 B5R0.1 CCCC([O-])=O Amb22732651 [1,0,1,0,0,0|2,0,0]=4 1538 B5R0.1 CCCS(N)=O Amb24733579 [1,0,1,0,0,0|2,0,0]=4 1539 B5R0.1 CCC[13C](O)=O Amb22337992 [1,0,1,0,0,0|2,0,0]=4 1540 B5R0.1 CCC[13C](O)=O Amb22338339 [1,0,1,0,0,0|2,0,0]=4 1541 B5R0.1 CCNC(=O)Br Amb24563760 [1,0,1,0,0,0|2,0,0]=4 1542 B5R0.1 CCNC(=O)Cl Amb25791793 [1,0,1,0,0,0|2,0,0]=4 1543 B5R0.1 CCNC(C)=N Amb25246070 [1,0,1,0,0,0|2,0,0]=4 1544 B5R0.1 CCNC(C)=S Amb24580999 [1,0,1,0,0,0|1,1,0]=4 1545 B5R0.1 CCNC(N)=N Amb21964689 [1,0,1,0,0,0|2,0,0]=4 1546 B5R0.1 CCNC(N)=N Amb22053912 [1,0,1,0,0,0|2,0,0]=4 1547 B5R0.1 CCNC(N)=N Amb22168156 [1,0,1,0,0,0|2,0,0]=4 1548 B5R0.1 CCNC(N)=[NH2+] Amb22734753 [1,0,1,0,0,0|2,0,0]=4 1549 B5R0.1 CCOC([13CH3])=O Amb22363103 [1,0,1,0,0,0|2,0,0]=4 1550 B5R0.1 CCO[13C](C)=O Amb22363160 [1,0,1,0,0,0|2,0,0]=4 1551 B5R0.1 CCO[13C]([13CH3])=O Amb22351310 [1,0,1,0,0,0|2,0,0]=4 1552 B5R0.1 CCO[14C](N)=O Amb22732757 [1,0,1,0,0,0|2,0,0]=4 1553 B5R0.1 CCSC(N)=O Amb24394612 [1,0,1,0,0,0|2,0,0]=4 1554 B5R0.1 CC[13CH2]C(O)=O Amb22367520 [1,0,1,0,0,0|2,0,0]=4 1555 B5R0.1 CC[13CH2]C([O-])=O Amb22351787 [1,0,1,0,0,0|2,0,0]=4 1556 B5R0.1 CC[13CH2][13C](O)=O Amb22351790 [1,0,1,0,0,0|2,0,0]=4 1557 B5R0.1 CN=CC(C)=O Amb25746654 [1,0,1,0,0,0|2,0,0]=4 1558 B5R0.1 CNCC(=O)C Amb17621974 [1,0,1,0,0,0|2,0,0]=4 1559 B5R0.1 CNCC(=O)N Amb10610205 [1,0,1,0,0,0|2,0,0]=4 1560 B5R0.1 CNCC(C)=O Amb21959975 [1,0,1,0,0,0|2,0,0]=4 1561 B5R0.1 CNCC(C)N Amb18281800 [1,0,1,0,0,0|1,0,1]=4 1562 B5R0.1 CNCC(C)N Amb20629142 [1,0,1,0,0,0|1,0,1]=4 1563 B5R0.1 CNNC(N)=S Amb19514512 [1,0,1,0,0,0|1,1,0]=4 1564 B5R0.1 CNOC(C)=O Amb24323679 [1,0,1,0,0,0|2,0,0]=4 1565 B5R0.1 CNOC(C)=O Amb24629247 [1,0,1,0,0,0|2,0,0]=4 1566 B5R0.1 COC=C(C)C Amb25063853 [1,0,1,0,0,0|2,0,0]=4 1567 B5R0.1 COCC(=O)Br Amb25282928 [1,0,1,0,0,0|2,0,0]=4 1568 B5R0.1 COCC(=O)N Amb1153776 [1,0,1,0,0,0|1,0,0]=3 1569 B5R0.1 COCC(C)=S Amb25108516 [1,0,1,0,0,0|1,1,0]=4 1570 B5R0.1 COCC(C)N Amb22233778 [1,0,1,0,0,0|1,0,1]=4 1571 B5R0.1 COC[C@@H](C)N Amb18529651 [1,0,1,0,0,0|1,0,1]=4 1572 B5R0.1 COC[C@@H](C)N Amb19149178 [1,0,1,0,0,0|1,0,1]=4 1573 B5R0.1 COC[C@@H](N)C Amb17061637 [1,0,1,0,0,0|1,0,1]=4 1574 B5R0.1 COC[C@H](C)N Amb24052963 [1,0,1,0,0,0|1,0,1]=4 1575 B5R0.1 CON=C(C)C Amb24118020 [1,0,1,0,0,0|1,0,1]=4 1576 B5R0.1 CON=C(C)N Amb24746796 [1,0,1,0,0,0|1,0,1]=4 1577 B5R0.1 CONC(=O)N Amb2417193 [1,0,1,0,0,0|0,0,0]=2 1578 B5R0.1 CONC(C)=O Amb25046114 [1,0,1,0,0,0|0,0,0]=2 1579 B5R0.1 CONC(C)C Amb20668193 [1,0,1,0,0,0|1,0,1]=4 1580 B5R0.1 CONC(C)C Amb22897032 [1,0,1,0,0,0|1,0,1]=4 1581 B5R0.1 CONC(C)C Amb24333864 [1,0,1,0,0,0|1,0,1]=4 1582 B5R0.1 CSCC(C)=O Amb20621731 [1,0,1,0,0,0|1,1,0]=4 1583 B5R0.1 CSCC(N)=O Amb19515874 [1,0,1,0,0,0|1,1,0]=4 1584 B5R0.1 CSNC(C)=O Amb22500292 [1,0,1,0,0,0|0,1,0]=3 1585 B5R0.1 CSNC(N)=O Amb25810134 [1,0,1,0,0,0|0,1,0]=3 1586 B5R0.1 C[13CH2]CC([O-])=O Amb22367521 [1,0,1,0,0,0|2,0,0]=4 1587 B5R0.1 C[C@@H](N)CCO Amb19515999 [1,0,1,0,0,0|1,0,1]=4 1588 B5R0.1 C[C@@H](N)CCO Amb22746127 [1,0,1,0,0,0|1,0,1]=4 1589 B5R0.1 C[C@H](N)CCN Amb24393216 [1,0,1,0,0,0|1,0,1]=4 1590 B5R0.1 C[C@H](N)CCO Amb19515998 [1,0,1,0,0,0|1,0,1]=4 1591 B5R0.1 C[C@H](N)CCO Amb24055217 [1,0,1,0,0,0|1,0,1]=4 1592 B5R0.1 C[C@H](O)CON Amb24557560 [1,0,1,0,0,0|1,0,1]=4 1593 B5R0.1 NC(=N)CCCl Amb25839424 [1,0,1,0,0,0|2,0,0]=4 1594 B5R0.1 NC(=N)CCS Amb25126101 [1,0,1,0,0,0|1,1,0]=4 1595 B5R0.1 NC(=O)C=NO Amb25147466 [1,0,1,0,0,0|1,0,1]=4 1596 B5R0.1 NC(=O)CC=C Amb17610156 [1,0,1,0,0,0|1,0,1]=4 1597 B5R0.1 NC(=O)CC=O Amb25777522 [1,0,1,0,0,0|0,0,2]=4 1598 B5R0.1 NC(=O)CCBr Amb21618712 [1,0,1,0,0,0|1,0,0]=3 1599 B5R0.1 NC(=O)CCCl Amb1127569 [1,0,1,0,0,0|1,0,0]=3 1600 B5R0.1 NC(=O)CNO Amb25199017 [1,0,1,0,0,0|1,0,0]=3 1601 B5R0.1 NC(=O)NC#N Amb24118005 [1,0,1,0,0,0|2,0,0]=4 1602 B5R0.1 NC(=O)NCCl Amb25130799 [1,0,1,0,0,0|2,0,0]=4 1603 B5R0.1 NC(=O)NCO Amb17674341 [1,0,1,0,0,0|1,0,0]=3 1604 B5R0.1 NC(=O)OCCl Amb24681219 [1,0,1,0,0,0|2,0,0]=4 1605 B5R0.1 NC(=O)OCI Amb25146422 [1,0,1,0,0,0|2,0,0]=4 1606 B5R0.1 NC(=O)OCO Amb25662384 [1,0,1,0,0,0|1,0,0]=3 1607 B5R0.1 NC(=S)CCS Amb17503271 [1,0,1,0,0,0|0,2,0]=4 1608 B5R0.1 NCCC(=O)Cl Amb24117140 [1,0,1,0,0,0|2,0,0]=4 1609 B5R0.1 NCCC(=O)N Amb1137251 [1,0,1,0,0,0|1,0,0]=3 1610 B5R0.1 NCCC(=O)O Amb1935127 [1,0,1,0,0,0|2,0,0]=4 1611 B5R0.1 NCCC(N)=S Amb18523221 [1,0,1,0,0,0|1,1,0]=4 1612 B5R0.1 NCCC(N)Cl Amb24061860 [1,0,1,0,0,0|2,0,0]=4 1613 B5R0.1 NCCC(N)Cl Amb25213173 [1,0,1,0,0,0|2,0,0]=4 1614 B5R0.1 NCCC(N)O Amb24657290 [1,0,1,0,0,0|1,0,1]=4 1615 B5R0.1 NOCC(=O)O Amb1154237 [1,0,1,0,0,0|1,0,1]=4 1616 B5R0.1 NOCC(F)F Amb22008452 [1,0,1,0,0,0|2,0,0]=4 1617 B5R0.1 NOCC(F)F Amb25146290 [1,0,1,0,0,0|2,0,0]=4 1618 B5R0.1 NOCC(N)=O Amb22059481 [1,0,1,0,0,0|0,0,1]=3 1619 B5R0.1 NS(=O)CCCl Amb24407159 [1,0,1,0,0,0|2,0,0]=4 1620 B5R0.1 N[C@H](O)CCO Amb24421109 [1,0,1,0,0,0|0,0,2]=4 1621 B5R0.1 O=C(Br)CCBr Amb24624022 [1,0,1,0,0,0|2,0,0]=4 1622 B5R0.1 O=C(Br)CCCl Amb24474527 [1,0,1,0,0,0|2,0,0]=4 1623 B5R0.1 O=C(I)CCCl Amb25146462 [1,0,1,0,0,0|2,0,0]=4 1624 B5R0.1 OC(=O)CCF Amb10603694 [1,0,1,0,0,0|2,0,0]=4 1625 B5R0.1 OCCS(=O)=O Amb24474283 [1,0,1,0,0,0|2,0,0]=4 1626 B5R0.1 ONCC(O)=O Amb24120360 [1,0,1,0,0,0|2,0,0]=4 1627 B5R0.1 [13CH3]CCC([O-])=O Amb22351845 [1,0,1,0,0,0|2,0,0]=4 1628 B5R0.1 [13CH3]C[13CH2]C([O-])=O Amb22351704 [1,0,1,0,0,0|2,0,0]=4 1629 B5R0.1 [13CH3][13CH2][13CH2][13C]([O-])=O Amb22353296 [1,0,1,0,0,0|2,0,0]=4 1630 B5R0.1 [15NH2]C[13CH2][13C](O)=O Amb22353834 [1,0,1,0,0,0|2,0,0]=4 1631 B5R0.1 [15NH2][13CH2][13CH2][13C](O)=O Amb22353457 [1,0,1,0,0,0|2,0,0]=4 1632 B5R0.1 [O-]C(=O)CCBr Amb22229633 [1,0,1,0,0,0|2,0,0]=4 1633 B5R0.1 [O-]C(=O)CCCl Amb10604124 [1,0,1,0,0,0|2,0,0]=4 1634 B5R0.1 [O-]C(=O)CCCl Amb22051669 [1,0,1,0,0,0|2,0,0]=4 1635 B5R0.1 [O-]C(=O)CCO Amb22055495 [1,0,1,0,0,0|1,0,0]=3 1636 B5R0.2 C=CCCCN Amb18299670 [1,0,1,0,0,0|2,0,0]=4 1637 B5R0.2 C=CCCCN Amb22001451 [1,0,1,0,0,0|2,0,0]=4 1638 B5R0.2 C=CCCNN Amb25747040 [1,0,1,0,0,0|2,0,0]=4 1639 B5R0.2 C=CCCON Amb22233632 [1,0,1,0,0,0|1,0,0]=3 1640 B5R0.2 C=CCCON Amb22896384 [1,0,1,0,0,0|1,0,0]=3 1641 B5R0.2 C=CCOC=O Amb22051694 [1,0,1,0,0,0|1,0,1]=4 1642 B5R0.2 C=CNCCO Amb24380906 [1,0,1,0,0,0|2,0,0]=4 1643 B5R0.2 C=CSCCN Amb25147236 [1,0,1,0,0,0|1,1,0]=4 1644 B5R0.2 C=NOCCO Amb25246977 [1,0,1,0,0,0|1,0,1]=4 1645 B5R0.2 CC=CCCN Amb19374038 [1,0,1,0,0,0|2,0,0]=4 1646 B5R0.2 CCC#CC=O Amb25663194 [1,0,1,0,0,0|2,0,0]=4 1647 B5R0.2 CCCCON Amb17101066 [1,0,1,0,0,0|1,0,1]=4 1648 B5R0.2 CCCOC=C Amb17940706 [1,0,1,0,0,0|2,0,0]=4 1649 B5R0.2 CCCON=O Amb22732190 [1,0,1,0,0,0|1,0,1]=4 1650 B5R0.2 CCCONC Amb25109607 [1,0,1,0,0,0|1,0,1]=4 1651 B5R0.2 CCNC=NN Amb25380800 [1,0,1,0,0,0|2,0,0]=4 1652 B5R0.2 CCNCCN Amb22284539 [1,0,1,0,0,0|1,0,1]=4 1653 B5R0.2 CCO/C=C/Cl Amb17689421 [1,0,1,0,0,0|2,0,0]=4 1654 B5R0.2 CCOCCN Amb21954038 [1,0,1,0,0,0|1,0,1]=4 1655 B5R0.2 CCONC#N Amb25745831 [1,0,1,0,0,0|1,0,1]=4 1656 B5R0.2 CCO\C=C/Br Amb2455970 [1,0,1,0,0,0|2,0,0]=4 1657 B5R0.2 CCO\C=C\Br Amb10068669 [1,0,1,0,0,0|2,0,0]=4 1658 B5R0.2 CCSCC=O Amb17940620 [1,0,1,0,0,0|1,1,0]=4 1659 B5R0.2 CC\C=C\OC Amb25310346 [1,0,1,0,0,0|2,0,0]=4 1660 B5R0.2 CNCCON Amb24460312 [1,0,1,0,0,0|2,0,0]=4 1661 B5R0.2 CNOCCN Amb22411501 [1,0,1,0,0,0|0,0,1]=3 1662 B5R0.2 CNOCCN Amb22490915 [1,0,1,0,0,0|0,0,1]=3 1663 B5R0.2 COCCC=O Amb10602324 [1,0,1,0,0,0|1,0,0]=3 1664 B5R0.2 COCCON Amb17194148 [1,0,1,0,0,0|2,0,0]=4 1665 B5R0.2 COCCON Amb20623946 [1,0,1,0,0,0|2,0,0]=4 1666 B5R0.2 CON=CCBr Amb25321028 [1,0,1,0,0,0|1,0,1]=4 1667 B5R0.2 CON=CCO Amb24531405 [1,0,1,0,0,0|1,0,1]=4 1668 B5R0.2 CON=CCS Amb24738965 [1,0,1,0,0,0|1,0,1]=4 1669 B5R0.2 CONCCN Amb25733738 [1,0,1,0,0,0|0,0,1]=3 1670 B5R0.2 CO\C=C\CBr Amb25708431 [1,0,1,0,0,0|2,0,0]=4 1671 B5R0.2 CO\C=C\CCl Amb25808567 [1,0,1,0,0,0|2,0,0]=4 1672 B5R0.2 CO\C=C\CO Amb22522111 [1,0,1,0,0,0|2,0,0]=4 1673 B5R0.2 CSCCON Amb25806571 [1,0,1,0,0,0|2,0,0]=4 1674 B5R0.2 CSCNC=O Amb24421815 [1,0,1,0,0,0|2,0,0]=4 1675 B5R0.2 CS\C=C\CN Amb24332224 [1,0,1,0,0,0|1,1,0]=4 1676 B5R0.2 C\C=C\CCN Amb10601619 [1,0,1,0,0,0|2,0,0]=4 1677 B5R0.2 C\C=C\CCN Amb24271068 [1,0,1,0,0,0|2,0,0]=4 1678 B5R0.2 C\C=C\CON Amb18560216 [1,0,1,0,0,0|1,0,1]=4 1679 B5R0.2 N#CCNC=O Amb24618148 [1,0,1,0,0,0|0,0,2]=4 1680 B5R0.2 N#CCOC=O Amb22347946 [1,0,1,0,0,0|0,0,2]=4 1681 B5R0.2 NCCCNCl Amb24333308 [1,0,1,0,0,0|2,0,0]=4 1682 B5R0.2 NCCNC=O Amb25213948 [1,0,1,0,0,0|0,0,0]=2 1683 B5R0.2 NCCNN=O Amb24377161 [1,0,1,0,0,0|1,0,0]=3 1684 B5R0.2 NCCOC=C Amb17593030 [1,0,1,0,0,0|1,0,0]=3 1685 B5R0.2 NCCOC=O Amb24612320 [1,0,1,0,0,0|0,0,0]=2 1686 B5R0.2 NCCOCC Amb1130918 [1,0,1,0,0,0|1,0,1]=4 1687 B5R0.2 NNCOP=O Amb24334346 [1,0,1,0,0,0|1,1,0]=4 1688 B5R0.2 NOCCCF Amb22896552 [1,0,1,0,0,0|1,0,1]=4 1689 B5R0.2 NOCCCF Amb24632017 [1,0,1,0,0,0|1,0,1]=4 1690 B5R0.2 NOCCCO Amb18061671 [1,0,1,0,0,0|0,0,2]=4 1691 B5R0.2 NOCCCS Amb17608230 [1,0,1,0,0,0|0,1,1]=4 1692 B5R0.2 NOCCON Amb18124207 [1,0,1,0,0,0|2,0,0]=4 1693 B5R0.2 NOC\C=C\Cl Amb18640679 [1,0,1,0,0,0|1,0,1]=4 1694 B5R0.2 NOC\C=C\Cl Amb22002679 [1,0,1,0,0,0|1,0,1]=4 1695 B5R0.2 N\C=C\CC=O Amb24706738 [1,0,1,0,0,0|1,0,1]=4 1696 B5R0.2 O=CCCC=O Amb22231966 [1,0,1,0,0,0|2,0,0]=4 1697 B5R0.2 O=CCCCBr Amb18644189 [1,0,1,0,0,0|2,0,0]=4 1698 B5R0.2 O=CCCCF Amb24056028 [1,0,1,0,0,0|2,0,0]=4 1699 B5R0.2 O=CCCSCl Amb25146622 [1,0,1,0,0,0|1,1,0]=4 1700 B5R0.2 O=CCCSS Amb22524519 [1,0,1,0,0,0|1,1,0]=4 1701 B5R0.2 O=CCOCBr Amb25765436 [1,0,1,0,0,0|2,0,0]=4 1702 B5R0.2 O=CCOCC Amb24052108 [1,0,1,0,0,0|1,0,0]=3 1703 B5R0.2 O=CCOCCl Amb24671305 [1,0,1,0,0,0|2,0,0]=4 1704 B5R0.2 O=COCCCl Amb22345927 [1,0,1,0,0,0|1,0,0]=3 1705 B5R0.2 O=CSCCCl Amb25808568 [1,0,1,0,0,0|1,1,0]=4 1706 B5R0.2 O=NOCCBr Amb24334595 [1,0,1,0,0,0|1,0,1]=4 1707 B5R0.2 OCCCC=O Amb24589235 [1,0,1,0,0,0|2,0,0]=4 1708 B5R0.2 OCCNC=S Amb24723087 [1,0,1,0,0,0|1,1,0]=4 1709 B5R0.2 OCCOC=C Amb17674184 [1,0,1,0,0,0|2,0,0]=4 1710 B5R0.2 OCCON=O Amb22363071 [1,0,1,0,0,0|1,0,1]=4 1711 B5R0.2 [C-]#[N+]CCC=O Amb24706723 [1,0,1,0,0,0|2,0,0]=4 1712 B5R0.3 BrCC(Br)C=O Amb17670591 [1,0,1,0,0,0|2,0,0]=4 1713 B5R0.3 C#C[C@@H](N)CO Amb24435241 [1,0,1,0,0,0|1,0,1]=4 1714 B5R0.3 C=CC(=O)CN Amb24334239 [1,0,1,0,0,0|1,0,1]=4 1715 B5R0.3 C=CC(Cl)ON Amb24587928 [1,0,1,0,0,0|2,0,0]=4 1716 B5R0.3 C=CC(N)CO Amb19374935 [1,0,1,0,0,0|1,0,0]=3 1717 B5R0.3 C=CC(N)CS Amb18120558 [1,0,1,0,0,0|1,1,0]=4 1718 B5R0.3 C=C[C@@H](F)CO Amb24475877 [1,0,1,0,0,0|2,0,0]=4 1719 B5R0.3 C=C[C@@H](N)CN Amb24393077 [1,0,1,0,0,0|1,0,0]=3 1720 B5R0.3 C=C[C@@H](N)CO Amb19886656 [1,0,1,0,0,0|1,0,0]=3 1721 B5R0.3 C=C[C@@H](O)CO Amb22225315 [1,0,1,0,0,0|2,0,0]=4 1722 B5R0.3 C=C[C@H](F)CO Amb25043797 [1,0,1,0,0,0|2,0,0]=4 1723 B5R0.3 C=C[C@H](N)CN Amb25262259 [1,0,1,0,0,0|1,0,0]=3 1724 B5R0.3 C=C[C@H](N)CO Amb25147462 [1,0,1,0,0,0|1,0,0]=3 1725 B5R0.3 C=C[C@H](O)CO Amb19888350 [1,0,1,0,0,0|2,0,0]=4 1726 B5R0.3 CC(C=C)ON Amb22896392 [1,0,1,0,0,0|2,0,0]=4 1727 B5R0.3 CC(C=C)ON Amb25146282 [1,0,1,0,0,0|2,0,0]=4 1728 B5R0.3 CC(CBr)C=O Amb24478503 [1,0,1,0,0,0|2,0,0]=4 1729 B5R0.3 CC(CCl)C=O Amb24691518 [1,0,1,0,0,0|2,0,0]=4 1730 B5R0.3 CC(CF)C=O Amb24638421 [1,0,1,0,0,0|2,0,0]=4 1731 B5R0.3 CC(CN)=NO Amb24604750 [1,0,1,0,0,0|1,0,1]=4 1732 B5R0.3 CC(CN)C=C Amb18286499 [1,0,1,0,0,0|2,0,0]=4 1733 B5R0.3 CC(CO)C=C Amb22347861 [1,0,1,0,0,0|2,0,0]=4 1734 B5R0.3 CC(CO)C=O Amb25745800 [1,0,1,0,0,0|1,0,0]=3 1735 B5R0.3 CC(CO)NN Amb20622512 [1,0,1,0,0,0|2,0,0]=4 1736 B5R0.3 CC(CO)NN Amb22231763 [1,0,1,0,0,0|2,0,0]=4 1737 B5R0.3 CC(CS)C=O Amb25758635 [1,0,1,0,0,0|1,1,0]=4 1738 B5R0.3 CC(OC)CN Amb2140564 [1,0,1,0,0,0|1,0,1]=4 1739 B5R0.3 CCC(=N)NO Amb19515903 [1,0,1,0,0,0|1,0,0]=3 1740 B5R0.3 CCC(=N)NO Amb22266115 [1,0,1,0,0,0|1,0,0]=3 1741 B5R0.3 CCC(=O)C#N Amb17231799 [1,0,1,0,0,0|2,0,0]=4 1742 B5R0.3 CCC(=O)C=O Amb22228532 [1,0,1,0,0,0|1,0,1]=4 1743 B5R0.3 CCC(=O)CCl Amb19338105 [1,0,1,0,0,0|2,0,0]=4 1744 B5R0.3 CCC(=O)CF Amb23454809 [1,0,1,0,0,0|2,0,0]=4 1745 B5R0.3 CCC(=O)CN Amb18203134 [1,0,1,0,0,0|1,0,0]=3 1746 B5R0.3 CCC(=O)CN Amb19959206 [1,0,1,0,0,0|1,0,0]=3 1747 B5R0.3 CCC(=O)CO Amb22227965 [1,0,1,0,0,0|1,0,0]=3 1748 B5R0.3 CCC(=O)NN Amb1104708 [1,0,1,0,0,0|1,0,0]=3 1749 B5R0.3 CCC(=O)OBr Amb25746234 [1,0,1,0,0,0|2,0,0]=4 1750 B5R0.3 CCC(=O)SC Amb24691233 [1,0,1,0,0,0|1,1,0]=4 1751 B5R0.3 CCC(=S)OC Amb22168046 [1,0,1,0,0,0|1,1,0]=4 1752 B5R0.3 CCC(Br)C=O Amb18124003 [1,0,1,0,0,0|2,0,0]=4 1753 B5R0.3 CCC(Cl)=NO Amb24713413 [1,0,1,0,0,0|1,0,1]=4 1754 B5R0.3 CCC(Cl)C=O Amb18122610 [1,0,1,0,0,0|2,0,0]=4 1755 B5R0.3 CCC(F)C=O Amb24606916 [1,0,1,0,0,0|2,0,0]=4 1756 B5R0.3 CCC(I)C=O Amb25365077 [1,0,1,0,0,0|2,0,0]=4 1757 B5R0.3 CCC(N)CN Amb19338113 [1,0,1,0,0,0|1,0,1]=4 1758 B5R0.3 CCC(O)C=O Amb25347970 [1,0,1,0,0,0|2,0,0]=4 1759 B5R0.3 CCC(S)C=O Amb18122377 [1,0,1,0,0,0|2,0,0]=4 1760 B5R0.3 CCN(N)C=O Amb24428031 [1,0,1,0,0,0|2,0,0]=4 1761 B5R0.3 CCS(=O)NN Amb24557357 [1,0,1,0,0,0|2,0,0]=4 1762 B5R0.3 CC[14C](=O)O[Na] Amb22352512 [1,0,1,0,0,0|2,0,0]=4 1763 B5R0.3 CC[C@@H](Cl)C=O Amb24645873 [1,0,1,0,0,0|2,0,0]=4 1764 B5R0.3 CC[C@@H](N)CN Amb24120352 [1,0,1,0,0,0|1,0,1]=4 1765 B5R0.3 CC[C@H](Cl)C=O Amb24478146 [1,0,1,0,0,0|2,0,0]=4 1766 B5R0.3 CC[C@H](N)C=C Amb24615622 [1,0,1,0,0,0|2,0,0]=4 1767 B5R0.3 CC[C@H](O)C=O Amb24333959 [1,0,1,0,0,0|2,0,0]=4 1768 B5R0.3 CC\C(=N/O)\N Amb10609125 [1,0,1,0,0,0|1,0,1]=4 1769 B5R0.3 CC\C(=N\O)\N Amb1125701 [1,0,1,0,0,0|1,0,1]=4 1770 B5R0.3 CC\C(\N)=N\O Amb19883708 [1,0,1,0,0,0|1,0,1]=4 1771 B5R0.3 CNC(=N)CN Amb24680568 [1,0,1,0,0,0|1,0,0]=3 1772 B5R0.3 CNC(=N)CO Amb23514994 [1,0,1,0,0,0|2,0,0]=4 1773 B5R0.3 CNC(=O)C#C Amb25147319 [1,0,1,0,0,0|1,0,1]=4 1774 B5R0.3 CNC(=O)CBr Amb2090678 [1,0,1,0,0,0|1,0,0]=3 1775 B5R0.3 CNC(=O)CF Amb25293692 [1,0,1,0,0,0|1,0,0]=3 1776 B5R0.3 CNC(=O)CI Amb23512488 [1,0,1,0,0,0|1,0,0]=3 1777 B5R0.3 CNC(=O)CN Amb2371053 [1,0,1,0,0,0|0,0,0]=2 1778 B5R0.3 CNC(=O)CS Amb22348209 [1,0,1,0,0,0|1,0,0]=3 1779 B5R0.3 CNC(=O)N=O Amb25738596 [1,0,1,0,0,0|2,0,0]=4 1780 B5R0.3 CNC(=O)NN Amb22899159 [1,0,1,0,0,0|1,0,0]=3 1781 B5R0.3 CNC(=O)NO Amb25185417 [1,0,1,0,0,0|1,0,0]=3 1782 B5R0.3 CNC(=O)OC Amb16185431 [1,0,1,0,0,0|2,0,0]=4 1783 B5R0.3 CNC(=O)ON Amb25234932 [1,0,1,0,0,0|1,0,0]=3 1784 B5R0.3 CNC(C)CN Amb18284352 [1,0,1,0,0,0|1,0,1]=4 1785 B5R0.3 CNC(N)=NN Amb22058750 [1,0,1,0,0,0|2,0,0]=4 1786 B5R0.3 CN\C(\C)=N/N Amb24738841 [1,0,1,0,0,0|2,0,0]=4 1787 B5R0.3 COC(=C)CBr Amb25177183 [1,0,1,0,0,0|2,0,0]=4 1788 B5R0.3 COC(=C)CO Amb25345119 [1,0,1,0,0,0|2,0,0]=4 1789 B5R0.3 COC(=N)CI Amb24544873 [1,0,1,0,0,0|2,0,0]=4 1790 B5R0.3 COC(=N)CN Amb25024621 [1,0,1,0,0,0|1,0,0]=3 1791 B5R0.3 COC(=O)C#N Amb22350567 [1,0,1,0,0,0|0,0,2]=4 1792 B5R0.3 COC(=O)C=C Amb22336504 [1,0,1,0,0,0|1,0,1]=4 1793 B5R0.3 COC(=O)C=C Amb22338013 [1,0,1,0,0,0|1,0,1]=4 1794 B5R0.3 COC(=O)C=C Amb22351400 [1,0,1,0,0,0|1,0,1]=4 1795 B5R0.3 COC(=O)C=C Amb22353461 [1,0,1,0,0,0|1,0,1]=4 1796 B5R0.3 COC(=O)CI Amb22036593 [1,0,1,0,0,0|1,0,0]=3 1797 B5R0.3 COC(=O)CN Amb1153098 [1,0,1,0,0,0|0,0,0]=2 1798 B5R0.3 COC(=O)CN Amb22236127 [1,0,1,0,0,0|0,0,0]=2 1799 B5R0.3 COC(=O)NN Amb1800924 [1,0,1,0,0,0|1,0,0]=3 1800 B5R0.3 COC(=O)NO Amb25210328 [1,0,1,0,0,0|1,0,0]=3 1801 B5R0.3 COC(=S)NN Amb22504666 [1,0,1,0,0,0|1,1,0]=4 1802 B5R0.3 COC(N)CO Amb24615890 [1,0,1,0,0,0|2,0,0]=4 1803 B5R0.3 CO[C@@H](C)CN Amb22746816 [1,0,1,0,0,0|1,0,1]=4 1804 B5R0.3 CSC(=O)CI Amb24352866 [1,0,1,0,0,0|1,1,0]=4 1805 B5R0.3 CSC(=O)CO Amb25834913 [1,0,1,0,0,0|1,1,0]=4 1806 B5R0.3 CSC(=O)NN Amb25299875 [1,0,1,0,0,0|1,1,0]=4 1807 B5R0.3 C[C@@H](CBr)C=O Amb25024867 [1,0,1,0,0,0|2,0,0]=4 1808 B5R0.3 C[C@@H](CN)CO Amb24181882 [1,0,1,0,0,0|1,0,1]=4 1809 B5R0.3 C[C@@H](CO)C=C Amb25145603 [1,0,1,0,0,0|2,0,0]=4 1810 B5R0.3 C[C@@H](CO)C=O Amb24750144 [1,0,1,0,0,0|1,0,0]=3 1811 B5R0.3 C[CH-]C(=O)CC Amb25370013 [1,0,1,0,0,0|2,0,0]=4 1812 B5R0.3 C[ClH]C(=O)CCl Amb25238807 [1,0,1,0,0,0|2,0,0]=4 1813 B5R0.3 C\C(\CN)=N\O Amb24411534 [1,0,1,0,0,0|1,0,1]=4 1814 B5R0.3 C\C=C(/Br)\CN Amb25231059 [1,0,1,0,0,0|2,0,0]=4 1815 B5R0.3 C\C=C(\C)/CN Amb25083555 [1,0,1,0,0,0|2,0,0]=4 1816 B5R0.3 C\C=C(\I)/CN Amb24519149 [1,0,1,0,0,0|2,0,0]=4 1817 B5R0.3 N=C(CO)NO Amb21520323 [1,0,1,0,0,0|2,0,0]=4 1818 B5R0.3 NC(C=O)C=O Amb22751007 [1,0,1,0,0,0|0,0,2]=4 1819 B5R0.3 NC(CN)CN Amb19149260 [1,0,1,0,0,0|1,0,1]=4 1820 B5R0.3 NC(CN)CN Amb22346723 [1,0,1,0,0,0|1,0,1]=4 1821 B5R0.3 NC(CO)C#N Amb19372799 [1,0,1,0,0,0|0,0,2]=4 1822 B5R0.3 NC(CO)CCl Amb24680312 [1,0,1,0,0,0|1,0,1]=4 1823 B5R0.3 NC(CO)CF Amb20622637 [1,0,1,0,0,0|1,0,1]=4 1824 B5R0.3 NC(CO)CF Amb25734803 [1,0,1,0,0,0|1,0,1]=4 1825 B5R0.3 NC(CO)CO Amb22730767 [1,0,1,0,0,0|0,0,2]=4 1826 B5R0.3 NC(CO)CS Amb18640677 [1,0,1,0,0,0|0,1,1]=4 1827 B5R0.3 NCC(=O)CN Amb17593034 [1,0,1,0,0,0|2,0,0]=4 1828 B5R0.3 NCC(=O)CN Amb22227724 [1,0,1,0,0,0|2,0,0]=4 1829 B5R0.3 NCC(=O)CN Amb22338039 [1,0,1,0,0,0|2,0,0]=4 1830 B5R0.3 NCC(=O)NN Amb18559478 [1,0,1,0,0,0|1,0,0]=3 1831 B5R0.3 NCC(=O)NO Amb2433859 [1,0,1,0,0,0|0,0,0]=2 1832 B5R0.3 NCC(=O)OI Amb25727816 [1,0,1,0,0,0|1,0,0]=3 1833 B5R0.3 NCC(Br)CO Amb25147258 [1,0,1,0,0,0|1,0,1]=4 1834 B5R0.3 NCC(N)C#N Amb25250533 [1,0,1,0,0,0|1,0,1]=4 1835 B5R0.3 NCC(N)CCl Amb24117148 [1,0,1,0,0,0|1,0,1]=4 1836 B5R0.3 NCC(N)CF Amb24569078 [1,0,1,0,0,0|1,0,1]=4 1837 B5R0.3 NCC(N)CO Amb24117147 [1,0,1,0,0,0|0,0,1]=3 1838 B5R0.3 NCC(O)C=O Amb24419762 [1,0,1,0,0,0|1,0,0]=3 1839 B5R0.3 NC[C@@H](N)CO Amb19374894 [1,0,1,0,0,0|0,0,1]=3 1840 B5R0.3 NC[C@H](O)CO Amb20670545 [1,0,1,0,0,0|1,0,1]=4 1841 B5R0.3 NNC(=O)CF Amb24501438 [1,0,1,0,0,0|2,0,0]=4 1842 B5R0.3 NNC(=O)CO Amb17615031 [1,0,1,0,0,0|2,0,0]=4 1843 B5R0.3 NNC(=O)CS Amb22058763 [1,0,1,0,0,0|2,0,0]=4 1844 B5R0.3 NOC(=O)CCl Amb25762118 [1,0,1,0,0,0|2,0,0]=4 1845 B5R0.3 N[C@@H](CO)C#N Amb24417764 [1,0,1,0,0,0|0,0,2]=4 1846 B5R0.3 N[C@H](CO)CS Amb24560326 [1,0,1,0,0,0|0,1,1]=4 1847 B5R0.3 O=C(CBr)O[K] Amb20248290 [1,0,1,0,0,0|2,0,0]=4 1848 B5R0.3 O=C(CCl)NBr Amb25139377 [1,0,1,0,0,0|2,0,0]=4 1849 B5R0.3 O=C(CCl)NI Amb25772911 [1,0,1,0,0,0|2,0,0]=4 1850 B5R0.3 O=C(CCl)OCl Amb24665690 [1,0,1,0,0,0|2,0,0]=4 1851 B5R0.3 O=C(CF)O[Na] Amb22361244 [1,0,1,0,0,0|2,0,0]=4 1852 B5R0.3 O=C(CI)NCl Amb25091806 [1,0,1,0,0,0|2,0,0]=4 1853 B5R0.3 O=CC(Br)CCl Amb18647566 [1,0,1,0,0,0|2,0,0]=4 1854 B5R0.3 O=CC(Cl)CCl Amb18124314 [1,0,1,0,0,0|2,0,0]=4 1855 B5R0.3 OC(C=C)CO Amb17610151 [1,0,1,0,0,0|2,0,0]=4 1856 B5R0.3 OC(CF)C=O Amb25210931 [1,0,1,0,0,0|2,0,0]=4 1857 B5R0.3 OC(CI)C=O Amb25694739 [1,0,1,0,0,0|2,0,0]=4 1858 B5R0.3 OC(CO)C=O Amb21618959 [1,0,1,0,0,0|1,0,0]=3 1859 B5R0.3 OCC(=O)C=O Amb17593031 [1,0,1,0,0,0|1,0,1]=4 1860 B5R0.3 OCC(=O)CO Amb22732522 [1,0,1,0,0,0|2,0,0]=4 1861 B5R0.3 OCC(Br)C=O Amb18644196 [1,0,1,0,0,0|1,0,0]=3 1862 B5R0.3 OCC(C=O)Cl Amb17593122 [1,0,1,0,0,0|1,0,0]=3 1863 B5R0.3 OC[C@@H](O)C=O Amb20242417 [1,0,1,0,0,0|1,0,0]=3 1864 B5R0.3 ONC(=O)CBr Amb24332664 [1,0,1,0,0,0|1,0,0]=3 1865 B5R0.3 ONC(=O)CCl Amb25324352 [1,0,1,0,0,0|1,0,0]=3 1866 B5R0.3 O[C@@H](CBr)C=O Amb24626840 [1,0,1,0,0,0|2,0,0]=4 1867 B5R0.3 O[C@@H](CS)C=O Amb25709640 [1,0,1,0,0,0|1,1,0]=4 1868 B5R0.3 O[C@H](C=O)CO Amb16232009 [1,0,1,0,0,0|1,0,0]=3 1869 B5R0.3 O[C@H](CCl)C=O Amb25662443 [1,0,1,0,0,0|2,0,0]=4 1870 B5R0.3 [13CH3]O[13C](=O)O[13CH3] Amb22338936 [1,0,1,0,0,0|2,0,0]=4 1871 B5R0.3 [13CH3][13CH2]C(=O)O[Na] Amb22338657 [1,0,1,0,0,0|2,0,0]=4 1872 B5R0.3 [13CH3][13CH2][13C](=O)O[Na] Amb22354040 [1,0,1,0,0,0|2,0,0]=4 1873 B5R0.5 CC(=C)C(O)=O Amb22230681 [1,0,1,0,0,0|1,0,1]=4 1874 B5R0.5 CC(=C)C(O)=O Amb22337777 [1,0,1,0,0,0|1,0,1]=4 1875 B5R0.5 CC(=C)C(O)=O Amb22351305 [1,0,1,0,0,0|1,0,1]=4 1876 B5R0.5 CC(=C)C(O)=O Amb22351871 [1,0,1,0,0,0|1,0,1]=4 1877 B5R0.5 CC(=C)C(O)=O Amb22351927 [1,0,1,0,0,0|1,0,1]=4 1878 B5R0.5 CC(=O)C(F)C Amb10841897 [1,0,1,0,0,0|2,0,0]=4 1879 B5R0.5 CC(=O)C(N)C Amb17593029 [1,0,1,0,0,0|1,0,0]=3 1880 B5R0.5 CC(=O)C(N)N Amb25810479 [1,0,1,0,0,0|2,0,0]=4 1881 B5R0.5 CC(=O)C(O)O Amb22436762 [1,0,1,0,0,0|2,0,0]=4 1882 B5R0.5 CC(=O)N(N)C Amb17593037 [1,0,1,0,0,0|2,0,0]=4 1883 B5R0.5 CC(Br)C(N)=O Amb22491874 [1,0,1,0,0,0|1,0,0]=3 1884 B5R0.5 CC(Br)[13C](O)=O Amb22351913 [1,0,1,0,0,0|1,0,0]=3 1885 B5R0.5 CC(C(=O)N)C Amb1153145 [1,0,1,0,0,0|1,0,0]=3 1886 B5R0.5 CC(C(=O)N)Cl Amb1151918 [1,0,1,0,0,0|1,0,0]=3 1887 B5R0.5 CC(C(=O)O)F Amb10605770 [1,0,1,0,0,0|1,0,0]=3 1888 B5R0.5 CC(C)C(=O)Br Amb22731066 [1,0,1,0,0,0|2,0,0]=4 1889 B5R0.5 CC(C)C(=O)F Amb25848493 [1,0,1,0,0,0|2,0,0]=4 1890 B5R0.5 CC(C)C([O-])=O Amb22045473 [1,0,1,0,0,0|1,0,1]=4 1891 B5R0.5 CC(C)C([O-])=O Amb22730398 [1,0,1,0,0,0|1,0,1]=4 1892 B5R0.5 CC(C)C([O-])=O Amb22734686 [1,0,1,0,0,0|1,0,1]=4 1893 B5R0.5 CC(C)S(N)=O Amb25675545 [1,0,1,0,0,0|2,0,0]=4 1894 B5R0.5 CC(Cl)C(=O)Br Amb24602442 [1,0,1,0,0,0|2,0,0]=4 1895 B5R0.5 CC(Cl)C(N)=N Amb20622290 [1,0,1,0,0,0|2,0,0]=4 1896 B5R0.5 CC(F)C(=O)Cl Amb24472500 [1,0,1,0,0,0|2,0,0]=4 1897 B5R0.5 CC(I)C(=O)Cl Amb24559615 [1,0,1,0,0,0|2,0,0]=4 1898 B5R0.5 CC(I)C(N)=O Amb25684673 [1,0,1,0,0,0|1,0,0]=3 1899 B5R0.5 CC(N)B(O)O Amb25844423 [1,0,1,0,0,0|1,0,1]=4 1900 B5R0.5 CC(N)C(=O)Br Amb25184851 [1,0,1,0,0,0|1,0,0]=3 1901 B5R0.5 CC(N)C(C)=C Amb23536625 [1,0,1,0,0,0|2,0,0]=4 1902 B5R0.5 CC(N)C(C)=O Amb19148817 [1,0,1,0,0,0|1,0,0]=3 1903 B5R0.5 CC(N)C(C)N Amb22330596 [1,0,1,0,0,0|1,0,1]=4 1904 B5R0.5 CC(N)C(N)=N Amb25771576 [1,0,1,0,0,0|1,0,0]=3 1905 B5R0.5 CC(N)C(N)=O Amb21958673 [1,0,1,0,0,0|0,0,0]=2 1906 B5R0.5 CC(N)C(N)=S Amb19374914 [1,0,1,0,0,0|0,1,0]=3 1907 B5R0.5 CC(N)C(O)O Amb24369611 [1,0,1,0,0,0|0,0,2]=4 1908 B5R0.5 CC(N)P(O)=O Amb25147710 [1,0,1,0,0,0|1,0,0]=3 1909 B5R0.5 CC(N)S([O-])=O Amb25825173 [1,0,1,0,0,0|1,0,1]=4 1910 B5R0.5 CC(N)[13C](O)=O Amb22336671 [1,0,1,0,0,0|0,0,0]=2 1911 B5R0.5 CC(O)C(=O)Cl Amb25045690 [1,0,1,0,0,0|2,0,0]=4 1912 B5R0.5 CC(O)C(N)=N Amb22587521 [1,0,1,0,0,0|2,0,0]=4 1913 B5R0.5 CC(O)C(N)=S Amb23449309 [1,0,1,0,0,0|1,1,0]=4 1914 B5R0.5 CC(O)C(O)=O Amb22350027 [1,0,1,0,0,0|1,0,0]=3 1915 B5R0.5 CC(O)C([O-])=O Amb17942960 [1,0,1,0,0,0|1,0,1]=4 1916 B5R0.5 CC(O)C([O-])=O Amb17943079 [1,0,1,0,0,0|1,0,1]=4 1917 B5R0.5 CC(O)C([O-])=O Amb20246816 [1,0,1,0,0,0|1,0,1]=4 1918 B5R0.5 CC(O)C([O-])=O Amb21936112 [1,0,1,0,0,0|1,0,1]=4 1919 B5R0.5 CC(O)C([O-])=O Amb22002445 [1,0,1,0,0,0|1,0,1]=4 1920 B5R0.5 CC(O)C([O-])=O Amb22054134 [1,0,1,0,0,0|1,0,1]=4 1921 B5R0.5 CC(O)C([O-])=O Amb22055552 [1,0,1,0,0,0|1,0,1]=4 1922 B5R0.5 CC(O)C([O-])=O Amb22167842 [1,0,1,0,0,0|1,0,1]=4 1923 B5R0.5 CC(O)C([O-])=O Amb22350448 [1,0,1,0,0,0|1,0,1]=4 1924 B5R0.5 CC(O)C([O-])=O Amb22730128 [1,0,1,0,0,0|1,0,1]=4 1925 B5R0.5 CC(O)C([O-])=O Amb22730326 [1,0,1,0,0,0|1,0,1]=4 1926 B5R0.5 CC(O)C([O-])=O Amb22731947 [1,0,1,0,0,0|1,0,1]=4 1927 B5R0.5 CC(O)C([O-])=O Amb22732237 [1,0,1,0,0,0|1,0,1]=4 1928 B5R0.5 CC(O)C([O-])=O Amb22732420 [1,0,1,0,0,0|1,0,1]=4 1929 B5R0.5 CC(O)C([O-])=O Amb22732487 [1,0,1,0,0,0|1,0,1]=4 1930 B5R0.5 CC(O)C([O-])=O Amb22732889 [1,0,1,0,0,0|1,0,1]=4 1931 B5R0.5 CC(O)C([O-])=O Amb22733874 [1,0,1,0,0,0|1,0,1]=4 1932 B5R0.5 CC(O)C([O-])=O Amb22733995 [1,0,1,0,0,0|1,0,1]=4 1933 B5R0.5 CC(O)P(O)=O Amb24333635 [1,0,1,0,0,0|2,0,0]=4 1934 B5R0.5 CC(O)[14C]([O-])=O Amb22362798 [1,0,1,0,0,0|1,0,1]=4 1935 B5R0.5 CC(P)C(N)=O Amb24715877 [1,0,1,0,0,0|0,1,0]=3 1936 B5R0.5 CC([15NH2])C(O)=O Amb22353286 [1,0,1,0,0,0|0,0,0]=2 1937 B5R0.5 CC([O-])C([O-])=O Amb22045882 [1,0,1,0,0,0|1,0,1]=4 1938 B5R0.5 CN(C)C(N)=O Amb22739731 [1,0,1,0,0,0|2,0,0]=4 1939 B5R0.5 CN(C)C(O)=O Amb22348477 [1,0,1,0,0,0|2,0,0]=4 1940 B5R0.5 CN(O)C(N)=O Amb22055740 [1,0,1,0,0,0|2,0,0]=4 1941 B5R0.5 CN([No])C(N)=O Amb20621701 [1,0,1,0,0,0|2,0,0]=4 1942 B5R0.5 C[13C@@H]([15NH2])C(O)=O Amb22363357 [1,0,1,0,0,0|0,0,0]=2 1943 B5R0.5 C[13CH](N)C(O)=O Amb22367246 [1,0,1,0,0,0|0,0,0]=2 1944 B5R0.5 C[C@@H](Cl)C(=O)F Amb25811184 [1,0,1,0,0,0|2,0,0]=4 1945 B5R0.5 C[C@@H](F)C(O)=O Amb24376099 [1,0,1,0,0,0|1,0,0]=3 1946 B5R0.5 C[C@@H](N)C(C)=O Amb22748924 [1,0,1,0,0,0|1,0,0]=3 1947 B5R0.5 C[C@@H](N)C(C)=O Amb22748925 [1,0,1,0,0,0|1,0,0]=3 1948 B5R0.5 C[C@@H](N)C(N)=O Amb22746786 [1,0,1,0,0,0|0,0,0]=2 1949 B5R0.5 C[C@@H](N)C(N)=S Amb24680806 [1,0,1,0,0,0|0,1,0]=3 1950 B5R0.5 C[C@@H](N)P(O)=O Amb24640370 [1,0,1,0,0,0|1,0,0]=3 1951 B5R0.5 C[C@@H](N)[C@@H](C)N Amb22800310 [1,0,1,0,0,0|1,0,1]=4 1952 B5R0.5 C[C@@H](O)C(C)=O Amb25120774 [1,0,1,0,0,0|2,0,0]=4 1953 B5R0.5 C[C@@H](O)C(N)=N Amb22587056 [1,0,1,0,0,0|2,0,0]=4 1954 B5R0.5 C[C@@H](O)C(O)=O Amb22799466 [1,0,1,0,0,0|1,0,0]=3 1955 B5R0.5 C[C@@H](O)C([O-])=O Amb22350432 [1,0,1,0,0,0|1,0,1]=4 1956 B5R0.5 C[C@@H](O)C([O-])=O Amb22801669 [1,0,1,0,0,0|1,0,1]=4 1957 B5R0.5 C[C@@H](O)P(O)=O Amb25129822 [1,0,1,0,0,0|2,0,0]=4 1958 B5R0.5 C[C@@H](O)[C@H](C)N Amb25234072 [1,0,1,0,0,0|1,0,1]=4 1959 B5R0.5 C[C@@H](S)C(N)=O Amb25065854 [1,0,1,0,0,0|1,0,0]=3 1960 B5R0.5 C[C@@H]([15NH2])C(O)=O Amb22800337 [1,0,1,0,0,0|0,0,0]=2 1961 B5R0.5 C[C@H](Br)C(=O)Br Amb25780155 [1,0,1,0,0,0|2,0,0]=4 1962 B5R0.5 C[C@H](Br)C(=O)Cl Amb24449131 [1,0,1,0,0,0|2,0,0]=4 1963 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [1,0,1,0,0,0|2,0,0]=4 1964 B5R0.5 C[C@H](Cl)C(O)=O Amb17776586 [1,0,1,0,0,0|1,0,0]=3 1965 B5R0.5 C[C@H](I)C(O)=O Amb25724908 [1,0,1,0,0,0|1,0,0]=3 1966 B5R0.5 C[C@H](N)C(=O)Cl Amb24333765 [1,0,1,0,0,0|1,0,0]=3 1967 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [1,0,1,0,0,0|0,0,0]=2 1968 B5R0.5 C[C@H](N)C(N)=S Amb24746259 [1,0,1,0,0,0|0,1,0]=3 1969 B5R0.5 C[C@H](N)P(O)=O Amb25101926 [1,0,1,0,0,0|1,0,0]=3 1970 B5R0.5 C[C@H](N)[C@@H](C)N Amb24460370 [1,0,1,0,0,0|1,0,1]=4 1971 B5R0.5 C[C@H](O)C(C)=O Amb24625154 [1,0,1,0,0,0|2,0,0]=4 1972 B5R0.5 C[C@H](O)C(N)=N Amb22587541 [1,0,1,0,0,0|2,0,0]=4 1973 B5R0.5 C[C@H](O)C([O-])=O Amb17772234 [1,0,1,0,0,0|1,0,1]=4 1974 B5R0.5 C[C@H](O)C([O-])=O Amb22338062 [1,0,1,0,0,0|1,0,1]=4 1975 B5R0.5 C[C@H](O)C([O-])=O Amb22369005 [1,0,1,0,0,0|1,0,1]=4 1976 B5R0.5 C[C@H](O)[13C]([O-])=O Amb22353664 [1,0,1,0,0,0|1,0,1]=4 1977 B5R0.5 C[C@H](O)[C@@H](C)N Amb24683375 [1,0,1,0,0,0|1,0,1]=4 1978 B5R0.5 C[C@H](S)C(O)=O Amb25147510 [1,0,1,0,0,0|1,0,0]=3 1979 B5R0.5 C[C@H]([15NH2])C(O)=O Amb22351686 [1,0,1,0,0,0|0,0,0]=2 1980 B5R0.5 FC(C(=O)N)F Amb2222272 [1,0,1,0,0,0|2,0,0]=4 1981 B5R0.5 FC(C(=O)O)F Amb1953492 [1,0,1,0,0,0|2,0,0]=4 1982 B5R0.5 IC(C(=O)O)I Amb17612865 [1,0,1,0,0,0|2,0,0]=4 1983 B5R0.5 NC(=N)C(=O)O Amb10549353 [1,0,1,0,0,0|1,0,1]=4 1984 B5R0.5 NC(=N)N(N)C Amb10552372 [1,0,1,0,0,0|2,0,0]=4 1985 B5R0.5 NC(=O)C(=O)C Amb17593028 [1,0,1,0,0,0|1,0,1]=4 1986 B5R0.5 NC(=O)C(Br)F Amb10841902 [1,0,1,0,0,0|2,0,0]=4 1987 B5R0.5 NC(=O)C(Br)I Amb24592920 [1,0,1,0,0,0|2,0,0]=4 1988 B5R0.5 NC(=O)C(Cl)Br Amb25288934 [1,0,1,0,0,0|2,0,0]=4 1989 B5R0.5 NC(=O)C(Cl)F Amb10839936 [1,0,1,0,0,0|2,0,0]=4 1990 B5R0.5 NC(=O)C(Cl)I Amb24640391 [1,0,1,0,0,0|2,0,0]=4 1991 B5R0.5 NC(=O)C(I)F Amb10840454 [1,0,1,0,0,0|2,0,0]=4 1992 B5R0.5 NC(=O)C(I)I Amb25744737 [1,0,1,0,0,0|2,0,0]=4 1993 B5R0.5 NC(=O)C(N)C Amb1156937 [1,0,1,0,0,0|0,0,0]=2 1994 B5R0.5 NC(=O)C(O)O Amb24680574 [1,0,1,0,0,0|1,0,0]=3 1995 B5R0.5 NC(=O)C([SiH3])[SiH3] Amb25811724 [1,0,1,0,0,0|1,1,0]=4 1996 B5R0.5 NC(=O)[C@@H](N)C Amb2371522 [1,0,1,0,0,0|0,0,0]=2 1997 B5R0.5 NC(=O)[C@H](N)C Amb2371905 [1,0,1,0,0,0|0,0,0]=2 1998 B5R0.5 NC(Br)C(O)=O Amb25724348 [1,0,1,0,0,0|1,0,0]=3 1999 B5R0.5 NC(O)C(N)=O Amb24478450 [1,0,1,0,0,0|0,0,0]=2 2000 B5R0.5 NC(O)C(N)O Amb24680994 [1,0,1,0,0,0|0,0,2]=4 2001 B5R0.5 NC(O)C(O)=O Amb24663706 [1,0,1,0,0,0|1,0,0]=3 2002 B5R0.5 N[C@@H](O)C(N)=O Amb25338621 [1,0,1,0,0,0|0,0,0]=2 2003 B5R0.5 N[C@H](S)C(O)=O Amb25289119 [1,0,1,0,0,0|1,0,0]=3 2004 B5R0.5 OC(=O)C(Br)F Amb10841090 [1,0,1,0,0,0|2,0,0]=4 2005 B5R0.5 OC(=O)C(Cl)Br Amb22002468 [1,0,1,0,0,0|2,0,0]=4 2006 B5R0.5 OC(=O)C(Cl)Cl Amb22338543 [1,0,1,0,0,0|2,0,0]=4 2007 B5R0.5 OC(=O)C(Cl)F Amb10838714 [1,0,1,0,0,0|2,0,0]=4 2008 B5R0.5 OC(=O)C(F)S Amb25272480 [1,0,1,0,0,0|2,0,0]=4 2009 B5R0.5 OC(=O)C(I)Br Amb17610018 [1,0,1,0,0,0|2,0,0]=4 2010 B5R0.5 OC(=O)C(I)Cl Amb17610937 [1,0,1,0,0,0|2,0,0]=4 2011 B5R0.5 OC(=O)C(I)F Amb10838458 [1,0,1,0,0,0|2,0,0]=4 2012 B5R0.5 OC(=O)[13CH](Cl)Cl Amb22336527 [1,0,1,0,0,0|2,0,0]=4 2013 B5R0.5 OC(=O)[C@@H](F)Br Amb25147695 [1,0,1,0,0,0|2,0,0]=4 2014 B5R0.5 OC(=O)[C@H](Cl)Br Amb25857711 [1,0,1,0,0,0|2,0,0]=4 2015 B5R0.5 OC(=O)[C@H](F)I Amb24561039 [1,0,1,0,0,0|2,0,0]=4 2016 B5R0.5 OC(Cl)C(=O)Cl Amb24470096 [1,0,1,0,0,0|2,0,0]=4 2017 B5R0.5 O[13C](=O)C(Br)Br Amb22367565 [1,0,1,0,0,0|2,0,0]=4 2018 B5R0.5 O[13C](=O)C(Cl)Br Amb22367326 [1,0,1,0,0,0|2,0,0]=4 2019 B5R0.5 [12CH3][12C@H](N)[12C](O)=O Amb22367004 [1,0,1,0,0,0|0,0,0]=2 2020 B5R0.5 [13CH3]C(N)C(O)=O Amb22351250 [1,0,1,0,0,0|0,0,0]=2 2021 B5R0.5 [13CH3][13CH](N)C(O)=O Amb22338584 [1,0,1,0,0,0|0,0,0]=2 2022 B5R0.5 [13CH3][13CH](N)[13C](O)=O Amb22353501 [1,0,1,0,0,0|0,0,0]=2 2023 B5R0.5 [13CH3][C@@H](O)C([O-])=O Amb22350379 [1,0,1,0,0,0|1,0,1]=4 2024 B5R1.1 C1CCCO1 Amb22045513 [2,0,0,0,0,0|1,0,1]=4 2025 B5R1.1 C1CCCO1 Amb22045541 [2,0,0,0,0,0|1,0,1]=4 2026 B5R1.1 C1CCCO1 Amb22336497 [2,0,0,0,0,0|1,0,1]=4 2027 B5R1.1 C1CCCO1 Amb22338101 [2,0,0,0,0,0|1,0,1]=4 2028 B5R1.1 C1CCCO1 Amb22350297 [2,0,0,0,0,0|1,0,1]=4 2029 B5R1.1 C1CCCO1 Amb22351447 [2,0,0,0,0,0|1,0,1]=4 2030 B5R1.1 C1CCCO1 Amb22351655 [2,0,0,0,0,0|1,0,1]=4 2031 B5R1.1 C1CCCO1 Amb22351959 [2,0,0,0,0,0|1,0,1]=4 2032 B5R1.1 C1CCCO1 Amb22367069 [2,0,0,0,0,0|1,0,1]=4 2033 B5R1.1 C1CCCO1 Amb22730414 [2,0,0,0,0,0|1,0,1]=4 2034 B5R1.1 C1CCNN1 Amb18061973 [2,0,0,0,0,0|1,0,1]=4 2035 B5R1.1 C1CCNN1 Amb21964916 [2,0,0,0,0,0|1,0,1]=4 2036 B5R1.1 C1CN=CN1 Amb25083166 [2,0,0,0,0,0|2,0,0]=4 2037 B5R1.1 C1CNC=C1 Amb24476832 [2,0,0,0,0,0|1,0,1]=4 2038 B5R1.1 C1CNN=C1 Amb21618957 [2,0,0,0,0,0|1,0,1]=4 2039 B5R1.1 C1COC=N1 Amb16234259 [2,0,0,0,0,0|2,0,0]=4 2040 B5R1.1 C1CON=C1 Amb24583471 [2,0,0,0,0,0|0,0,1]=3 2041 B5R1.1 C1CSC=C1 Amb24065325 [2,0,0,0,0,0|1,1,0]=4 2042 B5R1.1 C1NC=CO1 Amb20242493 [2,0,0,0,0,0|2,0,0]=4 2043 B5R1.1 C1NC=NO1 Amb24117046 [2,0,0,0,0,0|1,0,1]=4 2044 B5R1.1 C1NCCO1 Amb17506153 [2,0,0,0,0,0|2,0,0]=4 2045 B5R1.1 C1NCNO1 Amb24476989 [2,0,0,0,0,0|1,0,1]=4 2046 B5R1.1 C1NNC=C1 Amb16218167 [2,0,0,0,0,0|1,0,1]=4 2047 B5R1.1 C1NOCO1 Amb24410747 [2,0,0,0,0,0|1,0,1]=4 2048 B7R0.2 BrCC(=O)NC(C)C Amb2090260 [0,1,1,0,0,0|2,0,0]=4 2049 B7R0.2 CC(=C)CC(=O)CN Amb24621765 [0,1,1,0,0,0|2,0,0]=4 2050 B7R0.2 CC(=O)NC(=O)CCl Amb1105796 [0,1,1,0,0,0|2,0,0]=4 2051 B7R0.2 CC(=O)NC(=O)CN Amb24117061 [0,1,1,0,0,0|1,0,0]=3 2052 B7R0.2 CC(=O)NC(=O)CS Amb24483055 [0,1,1,0,0,0|2,0,0]=4 2053 B7R0.2 CC(=O)NC(=O)NN Amb25695996 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.2 CC(=O)NC(=O)SN Amb25662667 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.2 CC(C)=CC(=O)CN Amb25727127 [0,1,1,0,0,0|2,0,0]=4 2056 B7R0.2 CC(C)CC(=O)CN Amb18641847 [0,1,1,0,0,0|2,0,0]=4 2057 B7R0.2 CC(C)C[C@@H](N)C=O Amb25698367 [0,1,1,0,0,0|2,0,0]=4 2058 B7R0.2 CC(C)NC(=O)CF Amb24671297 [0,1,1,0,0,0|2,0,0]=4 2059 B7R0.2 CC(C)SC(=O)CN Amb24652697 [0,1,1,0,0,0|2,0,0]=4 2060 B7R0.2 CN(C)NC(=O)CBr Amb24523150 [0,1,1,0,0,0|2,0,0]=4 2061 B7R0.2 CN(C)NC(=O)CN Amb24558369 [0,1,1,0,0,0|1,0,0]=3 2062 B7R0.2 CN(C)NC(=O)CS Amb25110279 [0,1,1,0,0,0|2,0,0]=4 2063 B7R0.2 CN(S)NC(=O)NN Amb25046222 [0,1,1,0,0,0|2,0,0]=4 2064 B7R0.2 ClCC(=O)NC(C)C Amb1151852 [0,1,1,0,0,0|2,0,0]=4 2065 B7R0.2 ICC(=O)NC(C)C Amb10608892 [0,1,1,0,0,0|2,0,0]=4 2066 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [0,1,1,0,0,0|1,0,0]=3 2067 B7R0.2 NCC(=O)OC(C)C Amb10807427 [0,1,1,0,0,0|2,0,0]=4 2068 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [0,1,1,0,0,0|1,0,0]=3 2069 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [0,1,1,0,0,0|2,0,0]=4 2070 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [0,1,1,0,0,0|2,0,0]=4 2071 B7R0.3 C#CCCC(N)C=O Amb25233211 [0,1,1,0,0,0|2,0,0]=4 2072 B7R0.3 C=CCNC(=O)CN Amb21958702 [0,1,1,0,0,0|1,0,1]=4 2073 B7R0.3 CC#CCC(=O)CN Amb24679249 [0,1,1,0,0,0|2,0,0]=4 2074 B7R0.3 CCC(=C)CNOC Amb24398404 [0,1,1,0,0,0|2,0,0]=4 2075 B7R0.3 CCC(=O)CNCC Amb25032080 [0,1,1,0,0,0|2,0,0]=4 2076 B7R0.3 CCC(=O)NCCI Amb24436232 [0,1,1,0,0,0|2,0,0]=4 2077 B7R0.3 CCC(=O)NCCS Amb24505089 [0,1,1,0,0,0|2,0,0]=4 2078 B7R0.3 CCC(=O)NOCC Amb24481448 [0,1,1,0,0,0|1,0,0]=3 2079 B7R0.3 CCC(=O)\C=C\OC Amb24333414 [0,1,1,0,0,0|2,0,0]=4 2080 B7R0.3 CCCCC(=O)CN Amb24473062 [0,1,1,0,0,0|2,0,0]=4 2081 B7R0.3 CCCNC(=O)CBr Amb17330843 [0,1,1,0,0,0|2,0,0]=4 2082 B7R0.3 CCCNC(=O)CCl Amb1207068 [0,1,1,0,0,0|2,0,0]=4 2083 B7R0.3 CCCNC(=O)CF Amb25141943 [0,1,1,0,0,0|2,0,0]=4 2084 B7R0.3 CCCNC(=O)CI Amb23512283 [0,1,1,0,0,0|2,0,0]=4 2085 B7R0.3 CCCNC(=O)CN Amb10781813 [0,1,1,0,0,0|1,0,0]=3 2086 B7R0.3 CCNNC(=O)NN Amb24501434 [0,1,1,0,0,0|2,0,0]=4 2087 B7R0.3 CCOCC(=O)CBr Amb25261639 [0,1,1,0,0,0|2,0,0]=4 2088 B7R0.3 CCOCC(=O)CCl Amb25087764 [0,1,1,0,0,0|2,0,0]=4 2089 B7R0.3 CCOCC(=O)CS Amb24406072 [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.3 CCOCC(=O)NN Amb2111918 [0,1,1,0,0,0|2,0,0]=4 2091 B7R0.3 CCONC(=O)C#C Amb24391088 [0,1,1,0,0,0|1,0,1]=4 2092 B7R0.3 CCONC(=O)CBr Amb25249598 [0,1,1,0,0,0|1,0,0]=3 2093 B7R0.3 CCONC(=O)CN Amb24445788 [0,1,1,0,0,0|0,0,0]=2 2094 B7R0.3 CCS(=O)NOCC Amb25177208 [0,1,1,0,0,0|2,0,0]=4 2095 B7R0.3 CCSNC(=O)CO Amb24631959 [0,1,1,0,0,0|1,1,0]=4 2096 B7R0.3 COC(=O)CNOC Amb25725740 [0,1,1,0,0,0|2,0,0]=4 2097 B7R0.3 COC(=O)NOCC Amb24735360 [0,1,1,0,0,0|2,0,0]=4 2098 B7R0.3 COCCC(=O)CBr Amb25708389 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.3 COCCC(=O)CCl Amb20622320 [0,1,1,0,0,0|2,0,0]=4 2100 B7R0.3 COCCC(=O)CO Amb25049164 [0,1,1,0,0,0|2,0,0]=4 2101 B7R0.3 COCCC(=O)CS Amb24646143 [0,1,1,0,0,0|2,0,0]=4 2102 B7R0.3 COCNC(=O)CCl Amb25141907 [0,1,1,0,0,0|1,0,0]=3 2103 B7R0.3 CONCC(=C)CBr Amb24413351 [0,1,1,0,0,0|2,0,0]=4 2104 B7R0.3 CO\C=C\C(=O)CO Amb25240406 [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.3 CSCCC(N)C=O Amb25367403 [0,1,1,0,0,0|1,1,0]=4 2106 B7R0.3 CSCNC(=O)CCl Amb24591194 [0,1,1,0,0,0|1,1,0]=4 2107 B7R0.3 C\C=C\NC(=O)CBr Amb24533955 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.3 ClCCNC(=O)CC Amb17103188 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.3 NCC(=O)CCCO Amb24471240 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.3 NCC(=O)NCC#C Amb13951829 [0,1,1,0,0,0|1,0,1]=4 2111 B7R0.3 NCC(=O)NCCN Amb18292756 [0,1,1,0,0,0|1,0,0]=3 2112 B7R0.3 NCC(=O)NCCO Amb21958723 [0,1,1,0,0,0|1,0,0]=3 2113 B7R0.3 NCC(=O)OCCBr Amb18522183 [0,1,1,0,0,0|2,0,0]=4 2114 B7R0.3 NCC(=O)OCCN Amb25831229 [0,1,1,0,0,0|2,0,0]=4 2115 B7R0.3 NCC(=O)SCCN Amb24579413 [0,1,1,0,0,0|2,0,0]=4 2116 B7R0.3 NCCCC(N)C=O Amb24653292 [0,1,1,0,0,0|1,0,0]=3 2117 B7R0.3 NCCNC(=O)CC Amb1137732 [0,1,1,0,0,0|2,0,0]=4 2118 B7R0.3 NCCNC(=O)CCl Amb18290714 [0,1,1,0,0,0|2,0,0]=4 2119 B7R0.3 NCCNC(=O)CO Amb18973279 [0,1,1,0,0,0|2,0,0]=4 2120 B7R0.3 NNC(=O)NCCN Amb19514735 [0,1,1,0,0,0|2,0,0]=4 2121 B7R0.3 NNC(=O)NCCS Amb25721958 [0,1,1,0,0,0|2,0,0]=4 2122 B7R0.3 NOCCC(N)CO Amb24531346 [0,1,1,0,0,0|0,0,2]=4 2123 B7R0.3 O=C(CBr)NCCBr Amb24104073 [0,1,1,0,0,0|2,0,0]=4 2124 B7R0.3 O=C(CBr)NCCF Amb22896639 [0,1,1,0,0,0|2,0,0]=4 2125 B7R0.3 O=C(CCl)NCCCl Amb22261518 [0,1,1,0,0,0|2,0,0]=4 2126 B7R0.3 O=C(CCl)NCCS Amb25350349 [0,1,1,0,0,0|2,0,0]=4 2127 B7R0.3 O=C(CF)NCCCl Amb24505240 [0,1,1,0,0,0|2,0,0]=4 2128 B7R0.3 OCCNC(=O)CBr Amb17325573 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.5 C#CCC(N)C(N)=O Amb22059485 [0,1,1,0,0,0|2,0,0]=4 2130 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [0,1,1,0,0,0|2,0,0]=4 2131 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [0,1,1,0,0,0|2,0,0]=4 2132 B7R0.5 C=C(CON)C(O)=O Amb25778441 [0,1,1,0,0,0|1,0,1]=4 2133 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [0,1,1,0,0,0|2,0,0]=4 2134 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [0,1,1,0,0,0|2,0,0]=4 2135 B7R0.5 CC(=O)C(N)CCO Amb25087112 [0,1,1,0,0,0|2,0,0]=4 2136 B7R0.5 CC(CCN)C(C)=O Amb18251071 [0,1,1,0,0,0|2,0,0]=4 2137 B7R0.5 CC(CCN)C(N)=O Amb18641900 [0,1,1,0,0,0|2,0,0]=4 2138 B7R0.5 CC(CCN)C(O)=O Amb20667970 [0,1,1,0,0,0|2,0,0]=4 2139 B7R0.5 CC(NOC)C(C)N Amb24676997 [0,1,1,0,0,0|1,0,1]=4 2140 B7R0.5 CCCC(=O)C(C)N Amb18641850 [0,1,1,0,0,0|2,0,0]=4 2141 B7R0.5 CCCC(N)C(=O)S Amb25378817 [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.5 CCCC(N)C(N)=O Amb22284825 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.5 CCNC(=O)C(Br)C Amb17326728 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.5 CCNC(=O)C(C)S Amb24481320 [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.5 CCNC(=O)C(Cl)Br Amb25128011 [0,1,1,0,0,0|2,0,0]=4 2148 B7R0.5 CCNC(=O)C(F)F Amb25705309 [0,1,1,0,0,0|2,0,0]=4 2149 B7R0.5 CCNC(=O)C(N)=S Amb19514543 [0,1,1,0,0,0|1,0,1]=4 2150 B7R0.5 CCNC(=O)N(C)N Amb18641925 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.5 CCNC(=O)[C@@H](C)N Amb18538473 [0,1,1,0,0,0|1,0,0]=3 2152 B7R0.5 CCNC(=O)[C@@H](N)C Amb17231828 [0,1,1,0,0,0|1,0,0]=3 2153 B7R0.5 CCSC(=O)[C@H](C)N Amb25293577 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.5 CNCC(C(=O)O)N Amb10071505 [0,1,1,0,0,0|2,0,0]=4 2155 B7R0.5 CNCC(C(=O)O)N Amb10845350 [0,1,1,0,0,0|2,0,0]=4 2156 B7R0.5 CNCC(N)C(N)=O Amb25316352 [0,1,1,0,0,0|2,0,0]=4 2157 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.5 COCC(=O)C(C)C Amb19375017 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.5 COCC(=O)C(C)N Amb18825587 [0,1,1,0,0,0|1,0,0]=3 2164 B7R0.5 COCC(=O)C(C)O Amb24414233 [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.5 COCC(=O)C(F)F Amb25287315 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.5 COCC(Br)C(C)=O Amb24483184 [0,1,1,0,0,0|2,0,0]=4 2167 B7R0.5 COCC(Br)C(N)=O Amb24740751 [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.5 COCC(C(=O)O)Br Amb17594709 [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.5 COCC(C)C(C)=O Amb24683449 [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.5 COCC(Cl)C(C)=O Amb25073897 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.5 COCC(F)C(O)=O Amb24526772 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.5 COCC(N)C(N)=O Amb18984372 [0,1,1,0,0,0|1,0,0]=3 2174 B7R0.5 COCC(O)C(C)=O Amb25072841 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.5 COCC(O)C(O)=O Amb18124273 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.5 COC[C@@H](N)C(N)=O Amb25211762 [0,1,1,0,0,0|1,0,0]=3 2177 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [0,1,1,0,0,0|1,0,0]=3 2178 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [0,1,1,0,0,0|1,0,0]=3 2180 B7R0.5 CONC(=O)C(=C)Cl Amb24569314 [0,1,1,0,0,0|1,0,1]=4 2181 B7R0.5 CONC(=O)C(C)C Amb25194499 [0,1,1,0,0,0|1,0,0]=3 2182 B7R0.5 CONC(=O)C(F)F Amb25682608 [0,1,1,0,0,0|1,0,0]=3 2183 B7R0.5 CONC(=O)C(O)=O Amb25340523 [0,1,1,0,0,0|1,0,1]=4 2184 B7R0.5 CONC(=O)N(C)C Amb24747430 [0,1,1,0,0,0|2,0,0]=4 2185 B7R0.5 CONC(=O)[C@@H](C)O Amb25260565 [0,1,1,0,0,0|1,0,0]=3 2186 B7R0.5 CONC(=O)[C@H](C)O Amb25342566 [0,1,1,0,0,0|1,0,0]=3 2187 B7R0.5 CONS(=O)C(C)C Amb24536697 [0,1,1,0,0,0|2,0,0]=4 2188 B7R0.5 CSCC(N)C(N)=O Amb18294390 [0,1,1,0,0,0|1,1,0]=4 2189 B7R0.5 C[C@@H](N)C(=O)NC#N Amb24529094 [0,1,1,0,0,0|2,0,0]=4 2190 B7R0.5 C[C@@H](NON)C(O)=O Amb24409085 [0,1,1,0,0,0|2,0,0]=4 2191 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [0,1,1,0,0,0|2,0,0]=4 2192 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [0,1,1,0,0,0|2,0,0]=4 2193 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [0,1,1,0,0,0|1,1,0]=4 2194 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [0,1,1,0,0,0|1,1,0]=4 2195 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [0,1,1,0,0,0|1,1,0]=4 2196 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [0,1,1,0,0,0|2,0,0]=4 2197 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [0,1,1,0,0,0|1,0,1]=4 2198 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [0,1,1,0,0,0|2,0,0]=4 2199 B7R0.5 NC(CCF)C(N)=O Amb24391278 [0,1,1,0,0,0|2,0,0]=4 2200 B7R0.5 NC(CCI)C(O)=O Amb25339674 [0,1,1,0,0,0|2,0,0]=4 2201 B7R0.5 NC(CCO)C(N)=O Amb24481392 [0,1,1,0,0,0|2,0,0]=4 2202 B7R0.5 NC(CCS)C(N)=O Amb24599383 [0,1,1,0,0,0|2,0,0]=4 2203 B7R0.5 NC(CCS)C(O)=O Amb19267093 [0,1,1,0,0,0|2,0,0]=4 2204 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [0,1,1,0,0,0|1,1,0]=4 2205 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [0,1,1,0,0,0|1,1,0]=4 2206 B7R0.5 NC(CSO)C(O)=O Amb24746797 [0,1,1,0,0,0|1,1,0]=4 2207 B7R0.5 NC(CSS)C(O)=O Amb24614616 [0,1,1,0,0,0|1,1,0]=4 2208 B7R0.5 NCCC(C(=O)O)F Amb10838221 [0,1,1,0,0,0|2,0,0]=4 2209 B7R0.5 NCCC(C(=O)O)O Amb16232090 [0,1,1,0,0,0|2,0,0]=4 2210 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [0,1,1,0,0,0|2,0,0]=4 2211 B7R0.5 NCCC(F)C(O)=O Amb22229524 [0,1,1,0,0,0|2,0,0]=4 2212 B7R0.5 NCCC(N)C(N)=O Amb24634873 [0,1,1,0,0,0|1,0,0]=3 2213 B7R0.5 NCCC(N)C(O)=O Amb17678762 [0,1,1,0,0,0|1,0,0]=3 2214 B7R0.5 NCCC(N)C(O)=O Amb22348212 [0,1,1,0,0,0|1,0,0]=3 2215 B7R0.5 NCCC(S)C(O)=O Amb25083375 [0,1,1,0,0,0|2,0,0]=4 2216 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [0,1,1,0,0,0|2,0,0]=4 2217 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [0,1,1,0,0,0|2,0,0]=4 2218 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [0,1,1,0,0,0|1,0,0]=3 2219 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [0,1,1,0,0,0|1,0,0]=3 2220 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [0,1,1,0,0,0|2,0,0]=4 2221 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [0,1,1,0,0,0|2,0,0]=4 2222 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [0,1,1,0,0,0|2,0,0]=4 2223 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [0,1,1,0,0,0|1,0,0]=3 2224 B7R0.5 NOCC(N)C(N)=O Amb24388788 [0,1,1,0,0,0|0,0,0]=2 2225 B7R0.5 NOCC(N)C(O)=O Amb24184086 [0,1,1,0,0,0|0,0,0]=2 2226 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [0,1,1,0,0,0|0,0,0]=2 2227 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [0,1,1,0,0,0|0,0,0]=2 2228 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [0,1,1,0,0,0|1,0,0]=3 2230 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [0,1,1,0,0,0|2,0,0]=4 2231 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [0,1,1,0,0,0|2,0,0]=4 2232 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [0,1,1,0,0,0|2,0,0]=4 2233 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [0,1,1,0,0,0|2,0,0]=4 2234 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [0,1,1,0,0,0|2,0,0]=4 2235 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [0,1,1,0,0,0|1,0,0]=3 2236 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [0,1,1,0,0,0|1,1,0]=4 2237 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [0,1,1,0,0,0|1,1,0]=4 2238 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [0,1,1,0,0,0|1,0,1]=4 2239 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [0,1,1,0,0,0|1,0,0]=3 2241 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [0,1,1,0,0,0|2,0,0]=4 2243 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [0,1,1,0,0,0|2,0,0]=4 2244 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [0,1,1,0,0,0|2,0,0]=4 2245 B7R0.7 BrCCC(=O)NCC Amb17324658 [0,1,1,0,0,0|2,0,0]=4 2246 B7R0.7 CCCC(=O)CCN Amb25104618 [0,1,1,0,0,0|2,0,0]=4 2247 B7R0.7 CCCC(=O)OCN Amb24426649 [0,1,1,0,0,0|2,0,0]=4 2248 B7R0.7 CCNC(=O)CC=C Amb24481330 [0,1,1,0,0,0|2,0,0]=4 2249 B7R0.7 CCNC(=O)CCF Amb24671068 [0,1,1,0,0,0|2,0,0]=4 2250 B7R0.7 CCNC(=O)CCI Amb25220687 [0,1,1,0,0,0|2,0,0]=4 2251 B7R0.7 CCNC(=O)CCN Amb21956669 [0,1,1,0,0,0|1,0,0]=3 2252 B7R0.7 CCNC(=O)CCS Amb24715755 [0,1,1,0,0,0|2,0,0]=4 2253 B7R0.7 CCNC(=O)CNN Amb24578064 [0,1,1,0,0,0|1,0,0]=3 2254 B7R0.7 CCNC(=O)COC Amb23247495 [0,1,1,0,0,0|2,0,0]=4 2255 B7R0.7 CCNC(=O)CON Amb24334200 [0,1,1,0,0,0|1,0,0]=3 2256 B7R0.7 CCNC(=O)NSC Amb25063796 [0,1,1,0,0,0|1,1,0]=4 2257 B7R0.7 CCOC(=O)CNN Amb2182883 [0,1,1,0,0,0|2,0,0]=4 2258 B7R0.7 CCOC(=O)CNN Amb22489529 [0,1,1,0,0,0|2,0,0]=4 2259 B7R0.7 CCOC(=O)CON Amb18641971 [0,1,1,0,0,0|2,0,0]=4 2260 B7R0.7 CCSC(=O)NCC Amb24271089 [0,1,1,0,0,0|2,0,0]=4 2261 B7R0.7 CNCC(=O)NC#N Amb25715054 [0,1,1,0,0,0|2,0,0]=4 2262 B7R0.7 CNCC(=O)NCC Amb1971537 [0,1,1,0,0,0|1,0,0]=3 2263 B7R0.7 CNNC(=O)COC Amb24084588 [0,1,1,0,0,0|2,0,0]=4 2264 B7R0.7 CNNC(=O)OCC Amb25322288 [0,1,1,0,0,0|2,0,0]=4 2265 B7R0.7 COCC(=O)CC#C Amb25241043 [0,1,1,0,0,0|2,0,0]=4 2266 B7R0.7 COCC(=O)CC#N Amb22752805 [0,1,1,0,0,0|1,0,1]=4 2267 B7R0.7 COCC(C)=CCN Amb25781434 [0,1,1,0,0,0|2,0,0]=4 2268 B7R0.7 COCC(C)CC=O Amb24761492 [0,1,1,0,0,0|2,0,0]=4 2269 B7R0.7 COCC(N)CC=C Amb19018008 [0,1,1,0,0,0|2,0,0]=4 2270 B7R0.7 COCC(O)CC=O Amb25696549 [0,1,1,0,0,0|2,0,0]=4 2271 B7R0.7 COC\C(\C)=C\CN Amb24383152 [0,1,1,0,0,0|2,0,0]=4 2272 B7R0.7 CONC(=O)CC#N Amb25065147 [0,1,1,0,0,0|0,0,1]=3 2273 B7R0.7 CONC(=O)CCN Amb24640902 [0,1,1,0,0,0|0,0,0]=2 2274 B7R0.7 CONC(=O)COC Amb25702082 [0,1,1,0,0,0|1,0,0]=3 2275 B7R0.7 CONC(=O)CSC Amb24619309 [0,1,1,0,0,0|1,0,0]=3 2276 B7R0.7 ClCCC(=O)NCC Amb1138928 [0,1,1,0,0,0|2,0,0]=4 2277 B7R0.7 NC(CC=O)CC=O Amb25349657 [0,1,1,0,0,0|2,0,0]=4 2278 B7R0.7 NCCC(=O)NC#N Amb25775617 [0,1,1,0,0,0|2,0,0]=4 2279 B7R0.7 NCCC(=O)NCC Amb1131291 [0,1,1,0,0,0|1,0,0]=3 2280 B7R0.7 OCCC(=O)NCC Amb17334068 [0,1,1,0,0,0|2,0,0]=4 2281 B7R0.10 BrCC(=O)C(=O)OC Amb2455971 [0,1,1,0,0,0|2,0,0]=4 2282 B7R0.10 CC(C(=O)NN)OC Amb2081552 [0,1,1,0,0,0|2,0,0]=4 2283 B7R0.10 CC(OC)C(C)C=O Amb18641882 [0,1,1,0,0,0|2,0,0]=4 2284 B7R0.10 CCC(=O)C(=O)OC Amb17935757 [0,1,1,0,0,0|2,0,0]=4 2285 B7R0.10 CCC(=O)C(C)OC Amb24718758 [0,1,1,0,0,0|2,0,0]=4 2286 B7R0.10 CCC(=O)C(Cl)OC Amb24425967 [0,1,1,0,0,0|2,0,0]=4 2287 B7R0.10 CCN(C)C(=O)CBr Amb22886703 [0,1,1,0,0,0|2,0,0]=4 2288 B7R0.10 CCN(C)C(=O)CS Amb25132563 [0,1,1,0,0,0|2,0,0]=4 2289 B7R0.10 CCN(O)C(=O)CCl Amb24763936 [0,1,1,0,0,0|2,0,0]=4 2290 B7R0.10 CCN(O)C(=O)CN Amb24670710 [0,1,1,0,0,0|1,0,0]=3 2291 B7R0.10 CCS(=O)N(C)OC Amb24557571 [0,1,1,0,0,0|2,0,0]=4 2292 B7R0.10 CN(CC)C(=O)CC Amb24663431 [0,1,1,0,0,0|2,0,0]=4 2293 B7R0.10 COC(=N)C(N)C=O Amb25340734 [0,1,1,0,0,0|1,0,1]=4 2294 B7R0.10 COC(C)C(=O)CN Amb25678030 [0,1,1,0,0,0|1,0,0]=3 2295 B7R0.10 COC(Cl)C(=O)NN Amb25701089 [0,1,1,0,0,0|2,0,0]=4 2296 B7R0.10 CON(C)C(=C)CBr Amb25380650 [0,1,1,0,0,0|2,0,0]=4 2297 B7R0.10 CON(C)C(=O)CBr Amb20673706 [0,1,1,0,0,0|1,0,0]=3 2298 B7R0.10 CON(C)C(=O)CN Amb18282074 [0,1,1,0,0,0|0,0,0]=2 2299 B7R0.10 CON(C)C(=O)CO Amb24482084 [0,1,1,0,0,0|1,0,0]=3 2300 B7R0.10 C[C@@H](OC)[C@@H](C)C=O Amb25372033 [0,1,1,0,0,0|2,0,0]=4 2301 B7R0.10 C[C@H](CC)[C@@H](N)C=O Amb24731395 [0,1,1,0,0,0|2,0,0]=4 2302 B7R0.10 C[C@H](OC)[C@@H](C)C=O Amb24741787 [0,1,1,0,0,0|2,0,0]=4 2303 B7R0.10 C[C@H](OC)[C@H](C)C=O Amb24759162 [0,1,1,0,0,0|2,0,0]=4 2304 B7R0.11 CC(O)(CCN)C=O Amb25770524 [0,1,1,0,0,0|2,0,0]=4 2305 B7R0.11 CCS(=O)(=O)NOC Amb25276031 [0,1,1,0,0,0|2,0,0]=4 2306 B7R0.11 COCC(C)(C)C=O Amb18641883 [0,1,1,0,0,0|2,0,0]=4 2307 B7R0.11 COCC(C)(O)C=O Amb25681904 [0,1,1,0,0,0|2,0,0]=4 2308 B7R0.11 CONS(=O)(=O)CCl Amb24481449 [0,1,1,0,0,0|2,0,0]=4 2309 B7R0.12 CCC(COC)C=O Amb24463449 [0,1,1,0,0,0|2,0,0]=4 2310 B7R0.12 CNC(COC)C=C Amb25025167 [0,1,1,0,0,0|2,0,0]=4 2311 B7R0.12 COC(COC)C=O Amb18641945 [0,1,1,0,0,0|2,0,0]=4 2312 B7R0.12 CON=C(CN)CN Amb24332893 [0,1,1,0,0,0|1,0,1]=4 2313 B7R0.12 CO[C@H](COC)C=O Amb25095244 [0,1,1,0,0,0|2,0,0]=4 2314 B7R0.13 CC(=O)C(C)(C)CO Amb24691506 [0,1,1,0,0,0|2,0,0]=4 2315 B7R0.13 CC(=O)C(C)(Cl)CO Amb24752373 [0,1,1,0,0,0|2,0,0]=4 2316 B7R0.13 CC(=O)C(C)(N)CO Amb25765120 [0,1,1,0,0,0|1,0,0]=3 2317 B7R0.13 CC(=O)C(Cl)(Cl)CO Amb24601361 [0,1,1,0,0,0|2,0,0]=4 2318 B7R0.13 CC(=O)C(F)(F)CO Amb25724409 [0,1,1,0,0,0|2,0,0]=4 2319 B7R0.13 CC(C(=O)N)(CC)N Amb13952193 [0,1,1,0,0,0|1,0,0]=3 2320 B7R0.13 CC(C(=O)O)(CC)N Amb2235200 [0,1,1,0,0,0|2,0,0]=4 2321 B7R0.13 CC(C)(CBr)C(N)=O Amb24635645 [0,1,1,0,0,0|2,0,0]=4 2322 B7R0.13 CC(C)(CN)C(N)=O Amb23402034 [0,1,1,0,0,0|2,0,0]=4 2323 B7R0.13 CC(C)(CO)C(N)=N Amb25337772 [0,1,1,0,0,0|2,0,0]=4 2324 B7R0.13 CC(Cl)(CCl)C(N)=O Amb24481419 [0,1,1,0,0,0|2,0,0]=4 2325 B7R0.13 CC(N)(CN)C(O)=O Amb25310586 [0,1,1,0,0,0|2,0,0]=4 2326 B7R0.13 CC(N)(CS)C(O)=O Amb18124446 [0,1,1,0,0,0|1,1,0]=4 2327 B7R0.13 CC(N)(CS)C(O)=O Amb24480151 [0,1,1,0,0,0|1,1,0]=4 2328 B7R0.13 CC(O)(CBr)C(N)=O Amb25108659 [0,1,1,0,0,0|2,0,0]=4 2329 B7R0.13 CC(O)(CCl)C(N)=O Amb25198321 [0,1,1,0,0,0|2,0,0]=4 2330 B7R0.13 CC(O)(CO)C(O)=O Amb22270195 [0,1,1,0,0,0|2,0,0]=4 2331 B7R0.13 CCC(C)(Br)C(N)=O Amb25111192 [0,1,1,0,0,0|2,0,0]=4 2332 B7R0.13 CCC(C)(N)C(C)=O Amb25857157 [0,1,1,0,0,0|2,0,0]=4 2333 B7R0.13 CCC(C)(N)C(N)=N Amb25835758 [0,1,1,0,0,0|2,0,0]=4 2334 B7R0.13 CCC(C)(N)C(N)=O Amb18949646 [0,1,1,0,0,0|1,0,0]=3 2335 B7R0.13 CCC(C)(N)C(N)=S Amb24387902 [0,1,1,0,0,0|1,1,0]=4 2336 B7R0.13 CCC(C)(O)C(N)=O Amb24116738 [0,1,1,0,0,0|2,0,0]=4 2337 B7R0.13 CCC(F)(F)C(N)=O Amb24054261 [0,1,1,0,0,0|2,0,0]=4 2338 B7R0.13 CCC(O)(O)C(N)=O Amb24419277 [0,1,1,0,0,0|2,0,0]=4 2339 B7R0.13 CC[C@@](C)(N)C(O)=O Amb19929605 [0,1,1,0,0,0|2,0,0]=4 2340 B7R0.13 CC[C@@](C)(O)C(N)=O Amb24668764 [0,1,1,0,0,0|2,0,0]=4 2341 B7R0.13 C[C@@](C(=O)O)(CC)N Amb16183896 [0,1,1,0,0,0|2,0,0]=4 2342 B7R0.13 C[C@@](N)(CF)C(O)=O Amb25169596 [0,1,1,0,0,0|2,0,0]=4 2343 B7R0.13 C[C@@](N)(CS)C(O)=O Amb22757501 [0,1,1,0,0,0|1,1,0]=4 2344 B7R0.13 C[C@](C(=O)O)(CS)N Amb16183893 [0,1,1,0,0,0|1,1,0]=4 2345 B7R0.13 C[C@](N)(CF)C(O)=O Amb25775618 [0,1,1,0,0,0|2,0,0]=4 2346 B7R0.13 C[C@](N)(CN)C(O)=O Amb25690446 [0,1,1,0,0,0|2,0,0]=4 2347 B7R0.13 C[C@](N)(CS)C(O)=O Amb22388665 [0,1,1,0,0,0|1,1,0]=4 2348 B7R0.13 C[C@](N)(CS)C(O)=O Amb24053489 [0,1,1,0,0,0|1,1,0]=4 2349 B7R0.13 C[C@](O)(CO)C(O)=O Amb25173833 [0,1,1,0,0,0|2,0,0]=4 2350 B7R0.13 ClCC(C(=O)N)(Cl)Cl Amb10844816 [0,1,1,0,0,0|2,0,0]=4 2351 B7R0.13 NC(=O)C(F)(F)CO Amb25378711 [0,1,1,0,0,0|1,0,0]=3 2352 B7R0.13 NC(N)(CS)C(O)=O Amb24746383 [0,1,1,0,0,0|1,1,0]=4 2353 B7R0.13 NC(O)(CS)C(O)=O Amb25211789 [0,1,1,0,0,0|1,1,0]=4 2354 B7R0.13 OCC(C(=O)O)(F)F Amb17593305 [0,1,1,0,0,0|2,0,0]=4 2355 B7R0.14 CC(=NO)C(C)(C)N Amb24481463 [0,1,1,0,0,0|1,0,1]=4 2356 B7R0.14 CC(C)(Br)C(=O)NO Amb25716784 [0,1,1,0,0,0|1,0,0]=3 2357 B7R0.14 CC(C)(C)C(=N)NO Amb22731673 [0,1,1,0,0,0|2,0,0]=4 2358 B7R0.14 CC(C)(N)C(=O)NN Amb22230564 [0,1,1,0,0,0|1,0,0]=3 2359 B7R0.14 CC(C)(N)C(=O)NO Amb22059374 [0,1,1,0,0,0|0,0,0]=2 2360 B7R0.14 CC(C)(N)C(N)=NO Amb25057112 [0,1,1,0,0,0|1,0,1]=4 2361 B7R0.14 CC(C)(O)C(=N)NO Amb22735886 [0,1,1,0,0,0|2,0,0]=4 2362 B7R0.14 CC(CO)S(N)(=O)=O Amb24367553 [0,1,1,0,0,0|2,0,0]=4 2363 B7R0.14 CC(F)(F)C(=O)NN Amb24674729 [0,1,1,0,0,0|2,0,0]=4 2364 B7R0.14 CCC(=O)C(C)(C)N Amb18833010 [0,1,1,0,0,0|2,0,0]=4 2365 B7R0.14 CNC(=O)C(Br)(C)C Amb10071168 [0,1,1,0,0,0|2,0,0]=4 2366 B7R0.14 CNC(=O)C(C)(C)N Amb21956111 [0,1,1,0,0,0|1,0,0]=3 2367 B7R0.14 CNC(=O)C(C)(C)[SiH3] Amb25662603 [0,1,1,0,0,0|2,0,0]=4 2368 B7R0.14 CNC(=O)C(C)(Cl)Cl Amb25024966 [0,1,1,0,0,0|2,0,0]=4 2369 B7R0.14 CNC(=O)C(C)(F)F Amb25221307 [0,1,1,0,0,0|2,0,0]=4 2370 B7R0.14 CNC(=O)C(N)(C)C Amb10608298 [0,1,1,0,0,0|1,0,0]=3 2371 B7R0.14 COC(=O)C(C)(N)Cl Amb25758428 [0,1,1,0,0,0|2,0,0]=4 2372 B7R0.14 COC(=O)C(N)(C)C Amb16183987 [0,1,1,0,0,0|2,0,0]=4 2373 B7R0.14 COC(=O)[C@](C)(N)Cl Amb25297880 [0,1,1,0,0,0|2,0,0]=4 2374 B7R0.14 CP(O)(=O)C(N)CO Amb25809584 [0,1,1,0,0,0|2,0,0]=4 2375 B7R0.14 CSC(=O)C(C)(C)N Amb25082363 [0,1,1,0,0,0|2,0,0]=4 2376 B7R0.14 NNC(=O)C(C)(C)C Amb1141426 [0,1,1,0,0,0|2,0,0]=4 2377 B7R0.14 NNC(=O)C(O)(C)C Amb2154720 [0,1,1,0,0,0|2,0,0]=4 2378 B7R0.14 N[C@@H](CO)P(O)(O)=O Amb25211599 [0,1,1,0,0,0|2,0,0]=4 2379 B7R0.14 OCC(=O)C(C)(C)C Amb10574779 [0,1,1,0,0,0|2,0,0]=4 2380 B7R0.14 ONC(=O)C(C)(C)C Amb2411633 [0,1,1,0,0,0|1,0,0]=3 2381 B7R0.14 ONC(=O)C(F)(F)Br Amb24718123 [0,1,1,0,0,0|2,0,0]=4 2382 B7R0.15 CC(=O)C(CO)CO Amb22904340 [0,1,1,0,0,0|2,0,0]=4 2383 B7R0.15 CC(C)\C(=C/O)\C=O Amb24483024 [0,1,1,0,0,0|2,0,0]=4 2384 B7R0.15 CC(Cl)\C(\C=O)=N/O Amb25313111 [0,1,1,0,0,0|1,0,1]=4 2385 B7R0.15 CCC(C(=O)N)NC Amb15701261 [0,1,1,0,0,0|1,0,0]=3 2386 B7R0.15 CCC(C(=O)N)OC Amb2027289 [0,1,1,0,0,0|2,0,0]=4 2387 B7R0.15 CCC(C(=O)O)NC Amb10610245 [0,1,1,0,0,0|2,0,0]=4 2388 B7R0.15 CCC(CN)C(C)=O Amb24548156 [0,1,1,0,0,0|2,0,0]=4 2389 B7R0.15 CCC(CN)C(N)=O Amb18294192 [0,1,1,0,0,0|1,0,0]=3 2390 B7R0.15 CCC(CN)C(O)=O Amb18987934 [0,1,1,0,0,0|2,0,0]=4 2391 B7R0.15 CCC(CN)C(O)=O Amb19514932 [0,1,1,0,0,0|2,0,0]=4 2392 B7R0.15 CCC(CO)C(C)=O Amb24709237 [0,1,1,0,0,0|2,0,0]=4 2393 B7R0.15 CCC(CO)C(O)=O Amb18641947 [0,1,1,0,0,0|2,0,0]=4 2394 B7R0.15 CCC(N=C)C(N)=O Amb25811618 [0,1,1,0,0,0|1,0,1]=4 2395 B7R0.15 CCC(NN)C(O)=O Amb18641955 [0,1,1,0,0,0|2,0,0]=4 2396 B7R0.15 CCC(ON)C(N)=O Amb24483121 [0,1,1,0,0,0|1,0,0]=3 2397 B7R0.15 CCC(ON)C(O)=O Amb25697895 [0,1,1,0,0,0|2,0,0]=4 2398 B7R0.15 CC[C@@H](C(=O)O)CO Amb16232065 [0,1,1,0,0,0|2,0,0]=4 2399 B7R0.15 CC[C@@H](CO)C(O)=O Amb22745321 [0,1,1,0,0,0|2,0,0]=4 2400 B7R0.15 CC[C@@H](NN)C(O)=O Amb25746090 [0,1,1,0,0,0|2,0,0]=4 2401 B7R0.15 CC[C@H](CN)C(O)=O Amb25790771 [0,1,1,0,0,0|2,0,0]=4 2402 B7R0.15 CC[C@H](N=C)C(N)=O Amb25738279 [0,1,1,0,0,0|1,0,1]=4 2403 B7R0.15 CC[C@H](NC)C(N)=O Amb25745002 [0,1,1,0,0,0|1,0,0]=3 2404 B7R0.15 CC[C@H](NC)C(O)=O Amb24505225 [0,1,1,0,0,0|2,0,0]=4 2405 B7R0.15 CNC(CF)C(O)=O Amb25695388 [0,1,1,0,0,0|2,0,0]=4 2406 B7R0.15 CNC(CN)C(O)=O Amb23515020 [0,1,1,0,0,0|2,0,0]=4 2407 B7R0.15 CNC(CO)C(N)=O Amb18641957 [0,1,1,0,0,0|0,0,0]=2 2408 B7R0.15 CN[C@@H](CF)C(O)=O Amb25367323 [0,1,1,0,0,0|2,0,0]=4 2409 B7R0.15 CN[C@@H](CN)C(O)=O Amb24397074 [0,1,1,0,0,0|2,0,0]=4 2410 B7R0.15 CN[C@@H](CO)C(N)=O Amb25025437 [0,1,1,0,0,0|0,0,0]=2 2411 B7R0.15 CN[C@H](C(=O)O)CO Amb16183860 [0,1,1,0,0,0|1,0,0]=3 2412 B7R0.15 CN[C@H](CF)C(O)=O Amb25367324 [0,1,1,0,0,0|2,0,0]=4 2413 B7R0.15 COC(CBr)C(N)=O Amb24563790 [0,1,1,0,0,0|2,0,0]=4 2414 B7R0.15 COC(CN)C(N)=O Amb24719552 [0,1,1,0,0,0|2,0,0]=4 2415 B7R0.15 COC(CO)C(O)=O Amb24482992 [0,1,1,0,0,0|2,0,0]=4 2416 B7R0.15 CO[C@H](CO)C(N)=O Amb25755894 [0,1,1,0,0,0|1,0,0]=3 2417 B7R0.15 CSC(CO)C(C)=O Amb25746293 [0,1,1,0,0,0|2,0,0]=4 2418 B7R0.15 CSC(CO)C(N)=O Amb25849170 [0,1,1,0,0,0|1,0,0]=3 2419 B7R0.15 NC(=O)N(CO)CO Amb22167903 [0,1,1,0,0,0|2,0,0]=4 2420 B7R0.15 NCC(CN)C(O)=O Amb25335570 [0,1,1,0,0,0|2,0,0]=4 2421 B7R0.15 NC[C@@H](CO)C(O)=O Amb22756739 [0,1,1,0,0,0|1,0,0]=3 2422 B7R0.15 NNC(CS)C(O)=O Amb24117863 [0,1,1,0,0,0|1,1,0]=4 2423 B7R0.15 NN[C@@H](CO)C(O)=O Amb24384871 [0,1,1,0,0,0|1,0,0]=3 2424 B7R0.15 OC(=O)C(CO)CO Amb18124271 [0,1,1,0,0,0|2,0,0]=4 2425 B7R0.15 OC(=O)C(CS)NS Amb25286626 [0,1,1,0,0,0|1,1,0]=4 2426 B7R0.15 OCC(NO)C(O)=O Amb24719766 [0,1,1,0,0,0|1,0,0]=3 2427 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,1,1,0,0,0|1,0,1]=4 2428 B7R0.16 CC(Br)C(=O)C(O)=O Amb23400913 [0,1,1,0,0,0|2,0,0]=4 2429 B7R0.16 CC(Br)C(N)C(O)=O Amb25775046 [0,1,1,0,0,0|2,0,0]=4 2430 B7R0.16 CC(C(C(=O)C)C)O Amb17593202 [0,1,1,0,0,0|2,0,0]=4 2431 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [0,1,1,0,0,0|2,0,0]=4 2432 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [0,1,1,0,0,0|2,0,0]=4 2433 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [0,1,1,0,0,0|2,0,0]=4 2434 B7R0.16 CC(C(C(=O)O)N)F Amb10838661 [0,1,1,0,0,0|2,0,0]=4 2435 B7R0.16 CC(C(C(=O)O)N)S Amb17593434 [0,1,1,0,0,0|1,1,0]=4 2436 B7R0.16 CC(C(C)Cl)C(N)=O Amb25785669 [0,1,1,0,0,0|2,0,0]=4 2437 B7R0.16 CC(C(C)O)C(N)=O Amb24481579 [0,1,1,0,0,0|1,0,0]=3 2438 B7R0.16 CC(C(C)O)C(N)=S Amb24583963 [0,1,1,0,0,0|1,1,0]=4 2439 B7R0.16 CC(C)C(=O)C(C)N Amb18124258 [0,1,1,0,0,0|2,0,0]=4 2440 B7R0.16 CC(C)C(=O)[C@H](C)N Amb25082344 [0,1,1,0,0,0|2,0,0]=4 2441 B7R0.16 CC(C)C(C)C(N)=O Amb25810126 [0,1,1,0,0,0|2,0,0]=4 2442 B7R0.16 CC(C)C(Cl)C(N)=O Amb25337426 [0,1,1,0,0,0|2,0,0]=4 2443 B7R0.16 CC(C)C(F)C(N)=O Amb24616703 [0,1,1,0,0,0|2,0,0]=4 2444 B7R0.16 CC(C)C(N)C(=O)S Amb25064101 [0,1,1,0,0,0|2,0,0]=4 2445 B7R0.16 CC(C)C(N)C(C)=O Amb23536905 [0,1,1,0,0,0|2,0,0]=4 2446 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [0,1,1,0,0,0|1,0,0]=3 2447 B7R0.16 CC(C)C(N)C(N)=S Amb19148044 [0,1,1,0,0,0|1,1,0]=4 2448 B7R0.16 CC(C)C(N)[13C](O)=O Amb22338653 [0,1,1,0,0,0|2,0,0]=4 2449 B7R0.16 CC(C)C(O)C(N)=O Amb25124434 [0,1,1,0,0,0|2,0,0]=4 2450 B7R0.16 CC(C)C(S)C(N)=O Amb25315643 [0,1,1,0,0,0|2,0,0]=4 2451 B7R0.16 CC(C)C([15NH2])C(O)=O Amb22363191 [0,1,1,0,0,0|2,0,0]=4 2452 B7R0.16 CC(C)N(N)C(N)=O Amb24679360 [0,1,1,0,0,0|2,0,0]=4 2453 B7R0.16 CC(C)[13CH](N)C(O)=O Amb22367349 [0,1,1,0,0,0|2,0,0]=4 2454 B7R0.16 CC(C)[C@@H](N)C(C)=O Amb25757023 [0,1,1,0,0,0|2,0,0]=4 2455 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [0,1,1,0,0,0|1,0,0]=3 2456 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [0,1,1,0,0,0|1,0,0]=3 2457 B7R0.16 CC(C)[C@@H](N)C(O)=O Amb22746777 [0,1,1,0,0,0|2,0,0]=4 2458 B7R0.16 CC(C)[C@H](N)C(=O)Cl Amb25679283 [0,1,1,0,0,0|2,0,0]=4 2459 B7R0.16 CC(C)[C@H](N)C(=O)S Amb24427323 [0,1,1,0,0,0|2,0,0]=4 2460 B7R0.16 CC(C)[C@H](N)C(N)=S Amb24714667 [0,1,1,0,0,0|1,1,0]=4 2461 B7R0.16 CC(C)[C@H](N)C(O)=O Amb22351111 [0,1,1,0,0,0|2,0,0]=4 2462 B7R0.16 CC(C)[C@H](N)[13C](O)=O Amb22354046 [0,1,1,0,0,0|2,0,0]=4 2463 B7R0.16 CC(Cl)C(=O)N(C)N Amb24652540 [0,1,1,0,0,0|2,0,0]=4 2464 B7R0.16 CC(Cl)C(Cl)C(N)=O Amb24357982 [0,1,1,0,0,0|2,0,0]=4 2465 B7R0.16 CC(Cl)C(N)C(O)=O Amb25269614 [0,1,1,0,0,0|2,0,0]=4 2466 B7R0.16 CC(F)C(=O)C(C)O Amb25699476 [0,1,1,0,0,0|2,0,0]=4 2467 B7R0.16 CC(N)C(=O)N(C)C Amb21955713 [0,1,1,0,0,0|1,0,0]=3 2468 B7R0.16 CC(N)C(N)C(O)=O Amb17678795 [0,1,1,0,0,0|2,0,0]=4 2469 B7R0.16 CC(N)C(N)C(O)=O Amb22728051 [0,1,1,0,0,0|2,0,0]=4 2470 B7R0.16 CC(N)[C@H](N)C(O)=O Amb25083113 [0,1,1,0,0,0|2,0,0]=4 2471 B7R0.16 CC(O)C(=C)C(N)=O Amb24694487 [0,1,1,0,0,0|1,0,1]=4 2472 B7R0.16 CC(O)C(=O)C(C)O Amb24665807 [0,1,1,0,0,0|2,0,0]=4 2473 B7R0.16 CC(O)C(=O)C(O)=O Amb24481396 [0,1,1,0,0,0|2,0,0]=4 2474 B7R0.16 CC(O)C(N)C(C)=O Amb25026434 [0,1,1,0,0,0|1,0,0]=3 2475 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [0,1,1,0,0,0|0,0,0]=2 2476 B7R0.16 CC(O)C(N)P(O)=O Amb24428649 [0,1,1,0,0,0|2,0,0]=4 2477 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [0,1,1,0,0,0|2,0,0]=4 2478 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [0,1,1,0,0,0|2,0,0]=4 2479 B7R0.16 CC(S)C(Cl)C(N)=O Amb24483091 [0,1,1,0,0,0|1,1,0]=4 2480 B7R0.16 CC(S)[C@@H](N)C(O)=O Amb24606864 [0,1,1,0,0,0|1,1,0]=4 2481 B7R0.16 CC(S)[C@H](N)C(O)=O Amb25684204 [0,1,1,0,0,0|1,1,0]=4 2482 B7R0.16 C[C@@H](Cl)C(=O)N(C)C Amb25232594 [0,1,1,0,0,0|2,0,0]=4 2483 B7R0.16 C[C@@H](F)[C@H](N)C(O)=O Amb25789807 [0,1,1,0,0,0|2,0,0]=4 2484 B7R0.16 C[C@@H](N)C(=O)N(C)C Amb18538472 [0,1,1,0,0,0|1,0,0]=3 2485 B7R0.16 C[C@@H](N)C(=O)N(C)C Amb24271083 [0,1,1,0,0,0|1,0,0]=3 2486 B7R0.16 C[C@@H](N)[C@@H](N)C(O)=O Amb22745396 [0,1,1,0,0,0|2,0,0]=4 2487 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb22745441 [0,1,1,0,0,0|2,0,0]=4 2488 B7R0.16 C[C@@H](N)[C@H](N)C(O)=O Amb24481409 [0,1,1,0,0,0|2,0,0]=4 2489 B7R0.16 C[C@@H](O)C(=O)N(C)C Amb25358663 [0,1,1,0,0,0|2,0,0]=4 2490 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [0,1,1,0,0,0|2,0,0]=4 2491 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,1,1,0,0,0|1,0,0]=3 2492 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [0,1,1,0,0,0|2,0,0]=4 2493 B7R0.16 C[C@@H](O)[C@@H](N)C(C)=O Amb25238428 [0,1,1,0,0,0|1,0,0]=3 2494 B7R0.16 C[C@@H](O)[C@@H](O)C(C)=O Amb24701454 [0,1,1,0,0,0|2,0,0]=4 2495 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [0,1,1,0,0,0|2,0,0]=4 2496 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [0,1,1,0,0,0|0,0,0]=2 2497 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,1,1,0,0,0|1,0,0]=3 2498 B7R0.16 C[C@@H](O)[C@H](O)C(C)=O Amb24481484 [0,1,1,0,0,0|2,0,0]=4 2499 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,1,1,0,0,0|1,0,0]=3 2500 B7R0.16 C[C@@H](S)[C@@H](N)C(O)=O Amb24333717 [0,1,1,0,0,0|1,1,0]=4 2501 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24117242 [0,1,1,0,0,0|1,1,0]=4 2502 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24726915 [0,1,1,0,0,0|1,1,0]=4 2503 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [0,1,1,0,0,0|2,0,0]=4 2504 B7R0.16 C[C@H](Br)C(=O)N(C)C Amb24449726 [0,1,1,0,0,0|2,0,0]=4 2505 B7R0.16 C[C@H](Br)[C@H](N)C(O)=O Amb24711401 [0,1,1,0,0,0|2,0,0]=4 2506 B7R0.16 C[C@H](F)[C@H](N)C(O)=O Amb25805291 [0,1,1,0,0,0|2,0,0]=4 2507 B7R0.16 C[C@H](N)C(=C)C(O)=O Amb24631906 [0,1,1,0,0,0|2,0,0]=4 2508 B7R0.16 C[C@H](N)C(=O)N(C)N Amb24483016 [0,1,1,0,0,0|1,0,0]=3 2509 B7R0.16 C[C@H](N)C(O)C(N)=O Amb24431514 [0,1,1,0,0,0|2,0,0]=4 2510 B7R0.16 C[C@H](N)[C@@H](F)C(N)=O Amb25825111 [0,1,1,0,0,0|2,0,0]=4 2511 B7R0.16 C[C@H](N)[C@@H](N)C(O)=O Amb17678796 [0,1,1,0,0,0|2,0,0]=4 2512 B7R0.16 C[C@H](N)[C@H](F)C(N)=O Amb24483015 [0,1,1,0,0,0|2,0,0]=4 2513 B7R0.16 C[C@H](N)[C@H](N)C(O)=O Amb17678797 [0,1,1,0,0,0|2,0,0]=4 2514 B7R0.16 C[C@H](O)C(=O)N(C)C Amb24690504 [0,1,1,0,0,0|2,0,0]=4 2515 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,1,1,0,0,0|1,0,0]=3 2516 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [0,1,1,0,0,0|2,0,0]=4 2517 B7R0.16 C[C@H](O)[C@H](N)C(N)=O Amb25746274 [0,1,1,0,0,0|0,0,0]=2 2518 B7R0.16 C[C@H](S)[C@H](N)C(O)=O Amb25131648 [0,1,1,0,0,0|1,1,0]=4 2519 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O Amb16183845 [0,1,1,0,0,0|0,0,0]=2 2520 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [0,1,1,0,0,0|2,0,0]=4 2521 B7R0.16 C[C@H]([C@@H](C)O)C(C)=O Amb25144117 [0,1,1,0,0,0|2,0,0]=4 2522 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,1,1,0,0,0|1,0,0]=3 2523 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,1,1,0,0,0|1,0,1]=4 2524 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,1,1,0,0,0|1,0,1]=4 2525 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,1,1,0,0,0|0,0,1]=3 2526 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,1,1,0,0,0|1,0,1]=4 2527 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,1,0,0,0|1,0,1]=4 2528 B7R0.16 NC(C(Cl)Cl)C(O)=O Amb24433439 [0,1,1,0,0,0|2,0,0]=4 2529 B7R0.16 NC(C(F)F)C(O)=O Amb24713127 [0,1,1,0,0,0|2,0,0]=4 2530 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,1,1,0,0,0|2,0,0]=4 2531 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [0,1,1,0,0,0|1,0,0]=3 2532 B7R0.16 N[C@@H](C(Cl)Cl)C(O)=O Amb25101008 [0,1,1,0,0,0|2,0,0]=4 2533 B7R0.16 N[C@@H](C(F)F)C(O)=O Amb24433723 [0,1,1,0,0,0|2,0,0]=4 2534 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16183986 [0,1,1,0,0,0|1,0,0]=3 2535 B7R0.16 N[C@H](C(=O)N)C(C)C Amb16231400 [0,1,1,0,0,0|1,0,0]=3 2536 B7R0.16 N[C@H](C(F)F)C(O)=O Amb24659125 [0,1,1,0,0,0|2,0,0]=4 2537 B7R0.16 O=C(N(C)C)C(Br)C Amb15701256 [0,1,1,0,0,0|2,0,0]=4 2538 B7R0.16 O=C(N(C)C)[C@@H](N)C Amb17231827 [0,1,1,0,0,0|1,0,0]=3 2539 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,1,1,0,0,0|1,0,0]=3 2540 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](O)=O Amb22338876 [0,1,1,0,0,0|2,0,0]=4 2541 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,1,1,0,0,0|1,0,0]=3 2542 B7R0.1 C#CCCOCC=O Amb22896801 [0,1,1,0,0,0|2,0,0]=4 2543 B7R0.1 C=CCCCNC=O Amb25228418 [0,1,1,0,0,0|2,0,0]=4 2544 B7R0.1 C=CCCOCCN Amb22059113 [0,1,1,0,0,0|2,0,0]=4 2545 B7R0.1 C=CCOCCCN Amb25190295 [0,1,1,0,0,0|2,0,0]=4 2546 B7R0.1 C=CCOCCON Amb25200990 [0,1,1,0,0,0|2,0,0]=4 2547 B7R0.1 C=CCONCCN Amb24620507 [0,1,1,0,0,0|2,0,0]=4 2548 B7R0.1 CCCCCNC=O Amb22360637 [0,1,1,0,0,0|2,0,0]=4 2549 B7R0.1 CCCO\C=C\C=O Amb25300597 [0,1,1,0,0,0|2,0,0]=4 2550 B7R0.1 CCOCCNC=O Amb24713535 [0,1,1,0,0,0|2,0,0]=4 2551 B7R0.1 CNCCCOC=O Amb24505269 [0,1,1,0,0,0|2,0,0]=4 2552 B7R0.1 CNCCOCC=C Amb25764665 [0,1,1,0,0,0|2,0,0]=4 2553 B7R0.1 CSCCCNC=O Amb24407269 [0,1,1,0,0,0|2,0,0]=4 2554 B7R0.1 CSCCOCC=O Amb24692371 [0,1,1,0,0,0|2,0,0]=4 2555 B7R0.1 C\C=C\COCCN Amb18523861 [0,1,1,0,0,0|2,0,0]=4 2556 B7R0.1 NCCCCCC=O Amb25680164 [0,1,1,0,0,0|2,0,0]=4 2557 B7R0.1 NCCCCNC=O Amb18641902 [0,1,1,0,0,0|1,0,0]=3 2558 B7R0.1 NCCCNCC=C Amb17315274 [0,1,1,0,0,0|2,0,0]=4 2559 B7R0.1 NCCOC\C=C\Cl Amb19020762 [0,1,1,0,0,0|2,0,0]=4 2560 B7R0.1 O=CCCCNC=O Amb25247142 [0,1,1,0,0,0|2,0,0]=4 2561 B7R0.1 O=CCCOCCBr Amb24693863 [0,1,1,0,0,0|2,0,0]=4 2562 B7R0.1 O=CCCOCCCl Amb24472908 [0,1,1,0,0,0|2,0,0]=4 2563 B7R0.1 O=CNCCCCBr Amb25300317 [0,1,1,0,0,0|2,0,0]=4 2564 B7R0.1 OCCOCCC=O Amb18641946 [0,1,1,0,0,0|2,0,0]=4 2565 B7R0.4 C#CCONC(N)=O Amb24333584 [0,1,1,0,0,0|1,0,1]=4 2566 B7R0.4 C=C(Br)COCCN Amb19020783 [0,1,1,0,0,0|2,0,0]=4 2567 B7R0.4 C=C(Cl)COCCN Amb19020765 [0,1,1,0,0,0|2,0,0]=4 2568 B7R0.4 CC(=C)COCCN Amb19020764 [0,1,1,0,0,0|2,0,0]=4 2569 B7R0.4 CC(=C)COCCN Amb20631068 [0,1,1,0,0,0|2,0,0]=4 2570 B7R0.4 CC(=O)COCCCl Amb25346574 [0,1,1,0,0,0|2,0,0]=4 2571 B7R0.4 CC(=O)COCCN Amb18630459 [0,1,1,0,0,0|1,0,0]=3 2572 B7R0.4 CC(=O)NCCCF Amb25048794 [0,1,1,0,0,0|2,0,0]=4 2573 B7R0.4 CC(=O)NCCCI Amb24733809 [0,1,1,0,0,0|2,0,0]=4 2574 B7R0.4 CC(=O)NCCCN Amb10610286 [0,1,1,0,0,0|1,0,0]=3 2575 B7R0.4 CC(=O)NCCNN Amb24117179 [0,1,1,0,0,0|2,0,0]=4 2576 B7R0.4 CC(=O)NCCNN Amb25076762 [0,1,1,0,0,0|2,0,0]=4 2577 B7R0.4 CC(=O)NCCON Amb17138368 [0,1,1,0,0,0|2,0,0]=4 2578 B7R0.4 CC(=O)NOCC=C Amb25189056 [0,1,1,0,0,0|1,0,1]=4 2579 B7R0.4 CC(=O)OCCCN Amb18641920 [0,1,1,0,0,0|2,0,0]=4 2580 B7R0.4 CC(=O)OOCCBr Amb22233446 [0,1,1,0,0,0|2,0,0]=4 2581 B7R0.4 CC(=O)SCCCN Amb25368304 [0,1,1,0,0,0|2,0,0]=4 2582 B7R0.4 CC(=O)SSCCN Amb24625990 [0,1,1,0,0,0|1,1,0]=4 2583 B7R0.4 CC(C)CONC=O Amb24524289 [0,1,1,0,0,0|1,0,0]=3 2584 B7R0.4 CC(O)CCNC=O Amb24533830 [0,1,1,0,0,0|2,0,0]=4 2585 B7R0.4 CCCCNC(=O)Cl Amb24574309 [0,1,1,0,0,0|2,0,0]=4 2586 B7R0.4 CCCONC(N)=N Amb25843240 [0,1,1,0,0,0|2,0,0]=4 2587 B7R0.4 CS(=O)NCCCN Amb25177124 [0,1,1,0,0,0|2,0,0]=4 2588 B7R0.4 ClCCOCC(=O)Cl Amb17610887 [0,1,1,0,0,0|2,0,0]=4 2589 B7R0.4 NC(=O)CCNC=O Amb24630476 [0,1,1,0,0,0|1,0,1]=4 2590 B7R0.4 NC(=O)COCCBr Amb25133475 [0,1,1,0,0,0|2,0,0]=4 2591 B7R0.4 NC(=O)CONC=O Amb25783022 [0,1,1,0,0,0|0,0,1]=3 2592 B7R0.4 NCCCCC(N)=O Amb18641897 [0,1,1,0,0,0|2,0,0]=4 2593 B7R0.4 NCCCCC([O-])=O Amb22753853 [0,1,1,0,0,0|2,0,0]=4 2594 B7R0.4 NCCCNC(N)=N Amb25859352 [0,1,1,0,0,0|2,0,0]=4 2595 B7R0.4 NCCCNC(N)=O Amb18296186 [0,1,1,0,0,0|1,0,0]=3 2596 B7R0.4 NCCCNC(N)=O Amb20622408 [0,1,1,0,0,0|1,0,0]=3 2597 B7R0.4 NCCCNC(O)=O Amb24093884 [0,1,1,0,0,0|1,0,0]=3 2598 B7R0.4 NCCNCC(=O)O Amb17608063 [0,1,1,0,0,0|2,0,0]=4 2599 B7R0.4 NCCNCC(O)=O Amb19958818 [0,1,1,0,0,0|2,0,0]=4 2600 B7R0.4 NCCOCC(N)=O Amb18523830 [0,1,1,0,0,0|1,0,0]=3 2601 B7R0.4 NCCOCC(N)=O Amb20631066 [0,1,1,0,0,0|1,0,0]=3 2602 B7R0.4 NCCOCC(O)=O Amb18630146 [0,1,1,0,0,0|1,0,0]=3 2603 B7R0.4 NCCOCC(O)=O Amb22751540 [0,1,1,0,0,0|1,0,0]=3 2604 B7R0.4 NCCONC(N)=N Amb24617714 [0,1,1,0,0,0|1,0,0]=3 2605 B7R0.4 NCCSCC(=O)C Amb17500454 [0,1,1,0,0,0|1,1,0]=4 2606 B7R0.4 NCCSCC(=O)O Amb17500446 [0,1,1,0,0,0|1,1,0]=4 2607 B7R0.4 NCCSCC(O)=O Amb20622325 [0,1,1,0,0,0|1,1,0]=4 2608 B7R0.4 NCC\C=C\C(O)=O Amb25266868 [0,1,1,0,0,0|2,0,0]=4 2609 B7R0.4 OC(=O)COCCBr Amb24057760 [0,1,1,0,0,0|2,0,0]=4 2610 B7R0.4 OC(=O)COCCCl Amb21857870 [0,1,1,0,0,0|2,0,0]=4 2611 B7R1.1 CCC1CNOC1 Amb25747042 [1,1,0,0,0,0|1,0,1]=4 2612 B7R1.1 CNC1CCC=C1 Amb25062560 [1,1,0,0,0,0|2,0,0]=4 2613 B7R1.1 CNC1CNCC1 Amb22491402 [1,1,0,0,0,0|1,0,1]=4 2614 B7R1.1 CNC1COCC1 Amb20241377 [1,1,0,0,0,0|1,0,1]=4 2615 B7R1.1 CNC=1CCON1 Amb25680138 [1,1,0,0,0,0|1,0,1]=4 2616 B7R1.1 CN[C@@H]1COCC1 Amb20240861 [1,1,0,0,0,0|1,0,1]=4 2617 B7R1.1 CN[C@@H]1COCC1 Amb20241500 [1,1,0,0,0,0|1,0,1]=4 2618 B7R1.1 CN[C@H]1COCC1 Amb20241026 [1,1,0,0,0,0|1,0,1]=4 2619 B7R1.1 Cl\C=C\1/COCC1 Amb24333722 [1,1,0,0,0,0|2,0,0]=4 2620 B7R1.1 N#CC1CCON1 Amb25376947 [1,1,0,0,0,0|1,0,1]=4 2621 B7R1.1 N#CC=1CCON1 Amb24624782 [1,1,0,0,0,0|1,0,1]=4 2622 B7R1.1 NCC1CCC=C1 Amb18119742 [1,1,0,0,0,0|2,0,0]=4 2623 B7R1.1 NCC1CNCC1 Amb20242959 [1,1,0,0,0,0|1,0,1]=4 2624 B7R1.1 NCC1COCC1 Amb1117962 [1,1,0,0,0,0|1,0,1]=4 2625 B7R1.1 NCC1COCO1 Amb25261501 [1,1,0,0,0,0|2,0,0]=4 2626 B7R1.1 NCC=1CCON1 Amb19148524 [1,1,0,0,0,0|1,0,1]=4 2627 B7R1.1 NC[C@@H]1CNCC1 Amb20242961 [1,1,0,0,0,0|1,0,1]=4 2628 B7R1.1 NC[C@@H]1CNCC1 Amb25079280 [1,1,0,0,0,0|1,0,1]=4 2629 B7R1.1 NC[C@@H]1COCC1 Amb23439065 [1,1,0,0,0,0|1,0,1]=4 2630 B7R1.1 NC[C@@H]1COCC1 Amb23439174 [1,1,0,0,0,0|1,0,1]=4 2631 B7R1.1 NC[C@H]1CNCC1 Amb20242960 [1,1,0,0,0,0|1,0,1]=4 2632 B7R1.1 NN=C1COCC1 Amb24615453 [1,1,0,0,0,0|2,0,0]=4 2633 B7R1.1 NNC1CNCC1 Amb23586433 [1,1,0,0,0,0|1,0,1]=4 2634 B7R1.1 NNC1COCC1 Amb20668064 [1,1,0,0,0,0|1,0,1]=4 2635 B7R1.1 NNC1COCC1 Amb22059240 [1,1,0,0,0,0|1,0,1]=4 2636 B7R1.1 NNC1COCC1 Amb22491679 [1,1,0,0,0,0|1,0,1]=4 2637 B7R1.1 NN[C@@H]1COCC1 Amb24183622 [1,1,0,0,0,0|1,0,1]=4 2638 B7R1.1 NN[C@@H]1COCC1 Amb24424248 [1,1,0,0,0,0|1,0,1]=4 2639 B7R1.1 NOC1CNCC1 Amb24745731 [1,1,0,0,0,0|1,0,1]=4 2640 B7R1.1 NOC1COCC1 Amb22295766 [1,1,0,0,0,0|1,0,1]=4 2641 B7R1.1 O=C=C1CCCC1 Amb17673796 [1,1,0,0,0,0|2,0,0]=4 2642 B7R1.1 O=CC1=CCCC1 Amb17138358 [1,1,0,0,0,0|2,0,0]=4 2643 B7R1.1 O=CC1CCCN1 Amb20618600 [1,1,0,0,0,0|1,0,1]=4 2644 B7R1.1 O=CC1CCCN1 Amb22231416 [1,1,0,0,0,0|1,0,1]=4 2645 B7R1.1 O=CC=1CCOC1 Amb18120774 [1,1,0,0,0,0|1,0,0]=3 2646 B7R1.1 O=C[C@@H]1CCCN1 Amb22226769 [1,1,0,0,0,0|1,0,1]=4 2647 B7R1.1 O=C[C@@H]1COCC1 Amb25123223 [1,1,0,0,0,0|1,0,1]=4 2648 B7R1.1 O=C[C@H]1CCCN1 Amb25684302 [1,1,0,0,0,0|1,0,1]=4 2649 B7R1.1 OCC1COC=C1 Amb24480931 [1,1,0,0,0,0|2,0,0]=4 2650 B7R1.1 ON=C1COCC1 Amb24479869 [1,1,0,0,0,0|1,0,1]=4 2651 B7R1.1 ONC1CNCC1 Amb23586396 [1,1,0,0,0,0|1,0,1]=4 2652 B7R1.1 O\C=C/1\CCCN1 Amb24515856 [1,1,0,0,0,0|1,0,1]=4 2653 B7R1.1 O\N=C\1/CCCN1 Amb19769769 [1,1,0,0,0,0|1,0,1]=4 2654 B7R1.2 C=C1CC(=O)NC1 Amb25767177 [1,1,0,0,0,0|1,0,1]=4 2655 B7R1.2 C=C1COC(=O)N1 Amb24541155 [1,1,0,0,0,0|2,0,0]=4 2656 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [1,1,0,0,0,0|0,0,2]=4 2657 B7R1.2 CC1=CCC(=O)N1 Amb24119179 [1,1,0,0,0,0|1,0,1]=4 2658 B7R1.2 CC1CC(=O)CS1 Amb23598370 [1,1,0,0,0,0|1,1,0]=4 2659 B7R1.2 CC1CC(=O)NC1 Amb10608004 [1,1,0,0,0,0|1,0,0]=3 2660 B7R1.2 CC1CCC(=N)N1 Amb24479850 [1,1,0,0,0,0|2,0,0]=4 2661 B7R1.2 CC1CCC(=O)N1 Amb19267101 [1,1,0,0,0,0|1,0,0]=3 2662 B7R1.2 CC1CNC(=O)N1 Amb17506853 [1,1,0,0,0,0|2,0,0]=4 2663 B7R1.2 CC1CNC(=O)O1 Amb19651732 [1,1,0,0,0,0|2,0,0]=4 2664 B7R1.2 CC1CNC(=O)S1 Amb25367335 [1,1,0,0,0,0|2,0,0]=4 2665 B7R1.2 CC1COC(=O)C1 Amb22231914 [1,1,0,0,0,0|2,0,0]=4 2666 B7R1.2 CC1COC(=O)N1 Amb19517037 [1,1,0,0,0,0|2,0,0]=4 2667 B7R1.2 CC1CSC(=O)C1 Amb25136024 [1,1,0,0,0,0|2,0,0]=4 2668 B7R1.2 CC1NNC(=O)C1 Amb2371659 [1,1,0,0,0,0|1,0,0]=3 2669 B7R1.2 CC1NNC(=O)O1 Amb25832289 [1,1,0,0,0,0|2,0,0]=4 2670 B7R1.2 CN1CC(=O)CC1 Amb22236123 [1,1,0,0,0,0|2,0,0]=4 2671 B7R1.2 CN1CCC(=O)N1 Amb24064860 [1,1,0,0,0,0|1,0,0]=3 2672 B7R1.2 CN1CCC(C1)N Amb10610163 [1,1,0,0,0,0|1,0,1]=4 2673 B7R1.2 CN1CNC(=O)C1 Amb24733801 [1,1,0,0,0,0|2,0,0]=4 2674 B7R1.2 CN1C[C@@H](N)CC1 Amb19890014 [1,1,0,0,0,0|1,0,1]=4 2675 B7R1.2 CN1C[C@@H](N)CC1 Amb19929627 [1,1,0,0,0,0|1,0,1]=4 2676 B7R1.2 CN1C[C@@H](N)CC1 Amb20671398 [1,1,0,0,0,0|1,0,1]=4 2677 B7R1.2 CN1C[C@H](N)CC1 Amb19891803 [1,1,0,0,0,0|1,0,1]=4 2678 B7R1.2 C[C@@H]1CC(=O)CC1 Amb22801305 [1,1,0,0,0,0|2,0,0]=4 2679 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [1,1,0,0,0,0|2,0,0]=4 2680 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [1,1,0,0,0,0|1,0,0]=3 2681 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [1,1,0,0,0,0|1,0,0]=3 2682 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [1,1,0,0,0,0|2,0,0]=4 2683 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [1,1,0,0,0,0|2,0,0]=4 2684 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [1,1,0,0,0,0|2,0,0]=4 2685 B7R1.2 C[C@H]1CC(=O)CN1 Amb25746539 [1,1,0,0,0,0|2,0,0]=4 2686 B7R1.2 C[C@H]1CNC(=O)O1 Amb24480854 [1,1,0,0,0,0|2,0,0]=4 2687 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [1,1,0,0,0,0|2,0,0]=4 2688 B7R1.2 C[C@H]1C[C@H](N)CN1 Amb24562233 [1,1,0,0,0,0|1,0,1]=4 2689 B7R1.2 N=C1CCC(=O)N1 Amb10552414 [1,1,0,0,0,0|1,0,0]=3 2690 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [1,1,0,0,0,0|2,0,0]=4 2691 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [1,1,0,0,0,0|0,0,2]=4 2692 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [1,1,0,0,0,0|1,0,1]=4 2693 B7R1.2 NC1=NC(=O)NO1 Amb24060371 [1,1,0,0,0,0|1,0,1]=4 2694 B7R1.2 NC1CC(=O)CC1 Amb22236085 [1,1,0,0,0,0|2,0,0]=4 2695 B7R1.2 NC1CC(=O)CC1 Amb22494268 [1,1,0,0,0,0|2,0,0]=4 2696 B7R1.2 NC1CC(=O)CS1 Amb25090377 [1,1,0,0,0,0|1,1,0]=4 2697 B7R1.2 NC1CC(=O)NN1 Amb24071024 [1,1,0,0,0,0|1,0,0]=3 2698 B7R1.2 NC1CC(=O)NO1 Amb24640844 [1,1,0,0,0,0|0,0,0]=2 2699 B7R1.2 NC1CCC(=O)N1 Amb24480433 [1,1,0,0,0,0|1,0,0]=3 2700 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,1,0,0,0,0|2,0,0]=4 2701 B7R1.2 NC1CCC(=O)S1 Amb24479819 [1,1,0,0,0,0|2,0,0]=4 2702 B7R1.2 NC1CNC(=O)C1 Amb17760661 [1,1,0,0,0,0|1,0,0]=3 2703 B7R1.2 NC1COC(=O)N1 Amb23590649 [1,1,0,0,0,0|2,0,0]=4 2704 B7R1.2 NC1NC(=O)CO1 Amb25709500 [1,1,0,0,0,0|2,0,0]=4 2705 B7R1.2 NC1NC(=O)CS1 Amb1922196 [1,1,0,0,0,0|2,0,0]=4 2706 B7R1.2 NC1NCC(=O)N1 Amb24079615 [1,1,0,0,0,0|2,0,0]=4 2707 B7R1.2 NC=1NC(=O)CN1 Amb21964674 [1,1,0,0,0,0|2,0,0]=4 2708 B7R1.2 N[C@@H]1CC(=O)C=C1 Amb24579377 [1,1,0,0,0,0|2,0,0]=4 2709 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [1,1,0,0,0,0|1,0,0]=3 2710 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [1,1,0,0,0,0|1,0,0]=3 2711 B7R1.2 N[C@@H]1COS(=O)C1 Amb24612429 [1,1,0,0,0,0|1,0,1]=4 2712 B7R1.2 N[C@H]1CC(=O)C=C1 Amb24605966 [1,1,0,0,0,0|2,0,0]=4 2713 B7R1.2 N[C@H]1CC(=O)OC1 Amb16233747 [1,1,0,0,0,0|1,0,1]=4 2714 B7R1.2 N[C@H]1CN(N)CC1 Amb24480844 [1,1,0,0,0,0|1,0,1]=4 2715 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [1,1,0,0,0,0|1,0,0]=3 2716 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [1,1,0,0,0,0|1,0,1]=4 2717 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [1,1,0,0,0,0|1,0,1]=4 2718 B7R1.2 O=C1CC(Br)CC1 Amb24334292 [1,1,0,0,0,0|2,0,0]=4 2719 B7R1.2 O=C1CC(Br)CO1 Amb25803413 [1,1,0,0,0,0|2,0,0]=4 2720 B7R1.2 O=C1CC(Cl)=NN1 Amb25364597 [1,1,0,0,0,0|1,0,1]=4 2721 B7R1.2 O=C1CC(Cl)C=C1 Amb25240609 [1,1,0,0,0,0|2,0,0]=4 2722 B7R1.2 O=C1CC(Cl)CO1 Amb24608923 [1,1,0,0,0,0|2,0,0]=4 2723 B7R1.2 O=C1CC(F)CC1 Amb21963553 [1,1,0,0,0,0|2,0,0]=4 2724 B7R1.2 O=C1CC(F)CO1 Amb24431109 [1,1,0,0,0,0|2,0,0]=4 2725 B7R1.2 O=C1CC(I)C=C1 Amb24666810 [1,1,0,0,0,0|2,0,0]=4 2726 B7R1.2 O=C1CC(I)CC1 Amb22001809 [1,1,0,0,0,0|2,0,0]=4 2727 B7R1.2 O=C1CC(S)CN1 Amb25685875 [1,1,0,0,0,0|1,0,0]=3 2728 B7R1.2 O=C1CCC(=O)[15NH]1 Amb22338306 [1,1,0,0,0,0|1,0,0]=3 2729 B7R1.2 O=C1CCC(Br)=C1 Amb23399816 [1,1,0,0,0,0|2,0,0]=4 2730 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,1,0,0,0,0|2,0,0]=4 2731 B7R1.2 O=C1CCC(Cl)=N1 Amb24712377 [1,1,0,0,0,0|1,0,1]=4 2732 B7R1.2 O=C1CCC(Cl)N1 Amb24689591 [1,1,0,0,0,0|1,0,0]=3 2733 B7R1.2 O=C1CCC(I)=C1 Amb25811714 [1,1,0,0,0,0|2,0,0]=4 2734 B7R1.2 O=C1CC[C@@H](Cl)O1 Amb24710047 [1,1,0,0,0,0|2,0,0]=4 2735 B7R1.2 O=C1CN(Br)CN1 Amb25112148 [1,1,0,0,0,0|2,0,0]=4 2736 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [1,1,0,0,0,0|2,0,0]=4 2737 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,1,0,0,0,0|1,0,1]=4 2738 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [1,1,0,0,0,0|2,0,0]=4 2739 B7R1.2 O=C1COC(=S)N1 Amb17920585 [1,1,0,0,0,0|2,0,0]=4 2740 B7R1.2 O=C1CSC(=N)N1 Amb1397203 [1,1,0,0,0,0|2,0,0]=4 2741 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [1,1,0,0,0,0|2,0,0]=4 2742 B7R1.2 O=C1C[C@@H](Br)C=C1 Amb25724437 [1,1,0,0,0,0|2,0,0]=4 2743 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [1,1,0,0,0,0|1,0,0]=3 2744 B7R1.2 O=C1C[C@H](Cl)C=C1 Amb25088364 [1,1,0,0,0,0|2,0,0]=4 2745 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [1,1,0,0,0,0|1,0,0]=3 2746 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [1,1,0,0,0,0|1,0,1]=4 2747 B7R1.2 O=C1OCC(=O)N1 Amb1625991 [1,1,0,0,0,0|2,0,0]=4 2748 B7R1.2 O=C1SCC(=O)N1 Amb1853667 [1,1,0,0,0,0|2,0,0]=4 2749 B7R1.2 O=C1[14CH2][14CH2]C(=O)O1 Amb22729170 [1,1,0,0,0,0|2,0,0]=4 2750 B7R1.2 O=C1[15NH][13CH2]C(=O)N1 Amb17615001 [1,1,0,0,0,0|2,0,0]=4 2751 B7R1.2 O=C1[15NH][13CH2][13C](=O)N1 Amb17615000 [1,1,0,0,0,0|2,0,0]=4 2752 B7R1.2 O=[13C]1CC[13C](=O)O1 Amb20243426 [1,1,0,0,0,0|2,0,0]=4 2753 B7R1.2 O=[13C]1[13CH2][13CH2][13C](=O)O1 Amb22056174 [1,1,0,0,0,0|2,0,0]=4 2754 B7R1.2 OC1CC(=O)CC1 Amb22057378 [1,1,0,0,0,0|2,0,0]=4 2755 B7R1.2 OC1CCC(=O)N1 Amb21963236 [1,1,0,0,0,0|1,0,0]=3 2756 B7R1.2 OC1CCC(=O)O1 Amb22740957 [1,1,0,0,0,0|2,0,0]=4 2757 B7R1.2 OC1CNC(=O)C1 Amb19958404 [1,1,0,0,0,0|1,0,0]=3 2758 B7R1.2 OC1COC(=O)N1 Amb24428770 [1,1,0,0,0,0|2,0,0]=4 2759 B7R1.2 O[C@@H]1CC(=O)NC1 Amb15691722 [1,1,0,0,0,0|1,0,0]=3 2760 B7R1.2 S=C1CCC(=S)N1 Amb24479225 [1,1,0,0,0,0|1,1,0]=4 2761 B7R1.2 S=C1CSC(=O)N1 Amb2469502 [1,1,0,0,0,0|2,0,0]=4 2762 B7R1.2 S[C@@H]1CNC(=S)C1 Amb25215986 [1,1,0,0,0,0|1,1,0]=4 2763 B7R1.2 S[C@H]1CNC(=S)C1 Amb25789949 [1,1,0,0,0,0|1,1,0]=4 2764 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [1,1,0,0,0,0|1,0,0]=3 2765 B7R1.14 CC1(C)CNOC1 Amb24529518 [1,1,0,0,0,0|1,0,1]=4 2766 B7R1.14 CC1(C)COC=C1 Amb25091019 [1,1,0,0,0,0|2,0,0]=4 2767 B7R1.14 CC1(N)CNCC1 Amb18121423 [1,1,0,0,0,0|1,0,1]=4 2768 B7R1.14 CC1(N)COCC1 Amb22058785 [1,1,0,0,0,0|1,0,1]=4 2769 B7R1.8 CCC1NCC1N Amb25116264 [0,1,0,0,1,0|1,0,1]=4 2770 B7R1.8 CCC1OCC1=O Amb23456089 [0,1,0,0,1,0|2,0,0]=4 2771 B7R1.8 CC[C@@H]1NC[C@@H]1N Amb25102070 [0,1,0,0,1,0|1,0,1]=4 2772 B7R1.8 COC1CCC1=O Amb22896543 [0,1,0,0,1,0|2,0,0]=4 2773 B7R1.8 C\C=C/1\CNC1=O Amb24578767 [0,1,0,0,1,0|1,0,1]=4 2774 B7R1.8 N#CC1CCC1=O Amb25691967 [0,1,0,0,1,0|1,0,1]=4 2775 B7R1.8 NC1COC1CO Amb25745669 [0,1,0,0,1,0|0,0,2]=4 2776 B7R1.8 O=C1CCC1CBr Amb24633095 [0,1,0,0,1,0|2,0,0]=4 2777 B7R1.8 OCC1CCC1=O Amb24722181 [0,1,0,0,1,0|2,0,0]=4 2778 B7R1.15 CC1C(C)CC1=O Amb24605096 [0,1,0,0,1,0|2,0,0]=4 2779 B7R1.15 CC1C(C)NC1=O Amb22364651 [0,1,0,0,1,0|1,0,0]=3 2780 B7R1.15 CC1CC(=O)N1N Amb24415255 [0,1,0,0,1,0|2,0,0]=4 2781 B7R1.15 CC1CC(C)C1=O Amb25810693 [0,1,0,0,1,0|2,0,0]=4 2782 B7R1.15 CC1CN(N)C1=O Amb24479155 [0,1,0,0,1,0|1,0,0]=3 2783 B7R1.15 CC1NC(=O)C1I Amb24504951 [0,1,0,0,1,0|1,0,0]=3 2784 B7R1.15 CC1NC(=O)C1O Amb24536600 [0,1,0,0,1,0|1,0,0]=3 2785 B7R1.15 CC1OC(=O)C1N Amb25169554 [0,1,0,0,1,0|0,0,0]=2 2786 B7R1.15 CN1CC(N)C1=O Amb25314708 [0,1,0,0,1,0|0,0,0]=2 2787 B7R1.15 CN1C[C@H](N)C1=O Amb24746774 [0,1,0,0,1,0|0,0,0]=2 2788 B7R1.15 C[C@@H]1CC(=O)[C@@H]1Br Amb24656008 [0,1,0,0,1,0|2,0,0]=4 2789 B7R1.15 C[C@@H]1CC(=O)[C@H]1Br Amb24626651 [0,1,0,0,1,0|2,0,0]=4 2790 B7R1.15 C[C@@H]1C[C@H](C)C1=O Amb25076186 [0,1,0,0,1,0|2,0,0]=4 2791 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O Amb24632755 [0,1,0,0,1,0|1,0,0]=3 2792 B7R1.15 C[C@@H]1NC(=O)[C@H]1Cl Amb24746811 [0,1,0,0,1,0|1,0,0]=3 2793 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22388492 [0,1,0,0,1,0|0,0,0]=2 2794 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22757240 [0,1,0,0,1,0|0,0,0]=2 2795 B7R1.15 C[C@@H]1[C@H](C)CC1=O Amb25745705 [0,1,0,0,1,0|2,0,0]=4 2796 B7R1.15 C[C@H]1NC(=O)[C@H]1Br Amb25327771 [0,1,0,0,1,0|1,0,0]=3 2797 B7R1.15 C[C@H]1NC(=O)[C@H]1I Amb24561079 [0,1,0,0,1,0|1,0,0]=3 2798 B7R1.15 NC1C(S)NC1=O Amb24479821 [0,1,0,0,1,0|0,0,0]=2 2799 B7R1.15 O=C1C(Cl)CN1Cl Amb24692518 [0,1,0,0,1,0|1,0,0]=3 2800 B7R1.15 O=C1NC(Cl)C1Br Amb25828416 [0,1,0,0,1,0|1,0,0]=3 2801 B7R1.15 O=C1N[C@H](Cl)[C@H]1Br Amb24563354 [0,1,0,0,1,0|1,0,0]=3 2802 B7R1.17 CC1(C)NCC1N Amb24507424 [0,1,0,0,1,0|1,0,1]=4 2803 B7R1.17 CC1(N)COC1=O Amb24626106 [0,1,0,0,1,0|0,0,0]=2 2804 B7R1.17 CC1(O)CNC1=O Amb24560284 [0,1,0,0,1,0|1,0,0]=3 2805 B7R1.17 CC1NCC1(C)N Amb25095806 [0,1,0,0,1,0|1,0,1]=4 2806 B7R1.17 C[C@@H]1NC[C@@]1(C)N Amb24515146 [0,1,0,0,1,0|1,0,1]=4 2807 B7R1.17 C[C@H]1NC[C@]1(C)N Amb24514939 [0,1,0,0,1,0|1,0,1]=4 2808 B7R1.17 O=C1OCC1(C)C Amb17619458 [0,1,0,0,1,0|1,0,0]=3 2809 B9R1.2 C=CC1CCNC(=O)O1 Amb25371962 [0,1,0,0,0,1|2,0,0]=4 2810 B9R1.2 C=C[C@@H]1COCC(=O)N1 Amb24642631 [0,1,0,0,0,1|2,0,0]=4 2811 B9R1.2 CCC1CC(=O)NCC1 Amb25791122 [0,1,0,0,0,1|2,0,0]=4 2812 B9R1.2 CCC1COCC(=O)N1 Amb10608051 [0,1,0,0,0,1|2,0,0]=4 2813 B9R1.2 CC[C@@H]1COCC(=O)N1 Amb25146204 [0,1,0,0,0,1|2,0,0]=4 2814 B9R1.2 CC[C@H]1COCC(=O)N1 Amb25831485 [0,1,0,0,0,1|2,0,0]=4 2815 B9R1.2 CNC1CCNC(=O)N1 Amb25808930 [0,1,0,0,0,1|1,0,0]=3 2816 B9R1.2 CNC=1CONC(=O)N1 Amb24655553 [0,1,0,0,0,1|0,0,1]=3 2817 B9R1.2 NCC1CC(=O)NCC1 Amb18832611 [0,1,0,0,0,1|1,0,0]=3 2818 B9R1.2 NCC1CC(=O)NCC1 Amb22405878 [0,1,0,0,0,1|1,0,0]=3 2819 B9R1.2 NCC1CCCC(=O)N1 Amb18832610 [0,1,0,0,0,1|2,0,0]=4 2820 B9R1.2 NCC1CCCC(=O)N1 Amb22754591 [0,1,0,0,0,1|2,0,0]=4 2821 B9R1.2 NCC1COCC(=O)N1 Amb24481993 [0,1,0,0,0,1|1,0,0]=3 2822 B9R1.2 NNC=1CONC(=O)N1 Amb24477784 [0,1,0,0,0,1|0,0,1]=3 2823 B9R1.2 O=C1COCC(CF)N1 Amb25316026 [0,1,0,0,0,1|2,0,0]=4 2824 B9R1.2 OCC1CC(=O)NCC1 Amb21960758 [0,1,0,0,0,1|2,0,0]=4 2825 B9R1.2 OCC1COCC(=O)N1 Amb22236095 [0,1,0,0,0,1|2,0,0]=4 2826 B9R1.2 OCC1COCC(=O)O1 Amb25246215 [0,1,0,0,0,1|2,0,0]=4 2827 B9R1.2 OC[C@H]1COCC(=O)N1 Amb25050078 [0,1,0,0,0,1|2,0,0]=4 2828 B9R1.3 CC1CCNC(=O)C1Cl Amb25339436 [0,1,0,0,0,1|2,0,0]=4 2829 B9R1.3 CC1CCNC(=O)C1N Amb22229171 [0,1,0,0,0,1|2,0,0]=4 2830 B9R1.3 CC1CCNC(=O)N1C Amb25781297 [0,1,0,0,0,1|2,0,0]=4 2831 B9R1.3 CN1C(N)CCNC1=O Amb25707367 [0,1,0,0,0,1|1,0,0]=3 2832 B9R1.3 C[C@H]1[C@H](N)CCCC1=O Amb24670466 [0,1,0,0,0,1|2,0,0]=4 2833 B9R1.3 NC1C(O)CCNC1=O Amb24529078 [0,1,0,0,0,1|2,0,0]=4 2834 B9R1.3 NC1CCNC(=O)C1O Amb24593871 [0,1,0,0,0,1|1,0,0]=3 2835 B9R1.3 N[C@@H]1[C@@H](O)CCNC1=O Amb25220585 [0,1,0,0,0,1|2,0,0]=4 2836 B9R1.3 OC1CCNC(=O)C1Cl Amb23440466 [0,1,0,0,0,1|2,0,0]=4 2837 B9R1.3 OC1CCNC(=O)C1O Amb24712104 [0,1,0,0,0,1|2,0,0]=4 2838 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [0,1,0,0,0,1|2,0,0]=4 2839 B9R1.34 CC1CC(=O)NC(=O)N1 Amb2196506 [0,1,0,0,0,1|2,0,0]=4 2840 B9R1.34 CC1CC(N)NC(=O)C1 Amb24590810 [0,1,0,0,0,1|2,0,0]=4 2841 B9R1.34 C[C@@H]1C[C@@H](N)CC(=O)N1 Amb24566495 [0,1,0,0,0,1|1,0,0]=3 2842 B9R1.34 C[C@H]1C[C@@H](O)CC(=O)N1 Amb24586779 [0,1,0,0,0,1|2,0,0]=4 2843 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 Amb24517205 [0,1,0,0,0,1|2,0,0]=4 2844 B9R1.34 NC1CC(=O)CC(N)C1 Amb25303940 [0,1,0,0,0,1|2,0,0]=4 2845 B9R1.34 NC1CC(=O)NC(=O)N1 Amb24545303 [0,1,0,0,0,1|1,0,0]=3 2846 B9R1.34 NC1CC(=O)NC(=S)N1 Amb22552577 [0,1,0,0,0,1|1,1,0]=4 2847 B9R1.34 NC1CC(=O)OC(=O)C1 Amb24477706 [0,1,0,0,0,1|2,0,0]=4 2848 B9R1.34 NC=1CC(=O)NC(=O)C1 Amb24560228 [0,1,0,0,0,1|1,0,1]=4 2849 B9R1.34 O=C1NC(F)CC(=O)N1 Amb24476702 [0,1,0,0,0,1|2,0,0]=4 2850 B9R1.34 O=C1NC(I)CC(=O)N1 Amb25662770 [0,1,0,0,0,1|2,0,0]=4 2851 B9R1.34 OC1CC(=O)NC(=O)N1 Amb25177269 [0,1,0,0,0,1|2,0,0]=4 2852 B9R1.66 CC1(C)CC(=O)NCC1 Amb24451332 [0,1,0,0,0,1|2,0,0]=4 2853 B9R1.66 CC1(C)CCNC(=O)O1 Amb25083672 [0,1,0,0,0,1|2,0,0]=4 2854 B9R1.66 CC1(N)C=CNC(=O)N1 Amb25146117 [0,1,0,0,0,1|1,0,1]=4 2855 B9R1.66 CC1(N)CC(=O)CCC1 Amb25290133 [0,1,0,0,0,1|2,0,0]=4 2856 B9R1.66 CC1(O)CC(=O)NCC1 Amb24548836 [0,1,0,0,0,1|2,0,0]=4 2857 B9R1.66 O=C1CC(F)(F)CCN1 Amb24567328 [0,1,0,0,0,1|2,0,0]=4 2858 B9R1.69 CC1CC(=O)N(O)CC1 Amb25146341 [0,1,0,0,0,1|2,0,0]=4 2859 B9R1.69 CC1CC(=O)NCC1N Amb24496285 [0,1,0,0,0,1|2,0,0]=4 2860 B9R1.69 CC1CNC(=O)CC1C Amb25124566 [0,1,0,0,0,1|2,0,0]=4 2861 B9R1.69 CC1COC(=O)C(=O)N1 Amb25216504 [0,1,0,0,0,1|2,0,0]=4 2862 B9R1.69 CC1NC(=O)NCC1Br Amb24675323 [0,1,0,0,0,1|2,0,0]=4 2863 B9R1.69 CC1OCC(C)NC1=O Amb25695880 [0,1,0,0,0,1|2,0,0]=4 2864 B9R1.69 CC1OCC(N)=CC1=O Amb24699007 [0,1,0,0,0,1|1,0,1]=4 2865 B9R1.69 CC1ONC(=O)NC1=O Amb24451046 [0,1,0,0,0,1|1,0,1]=4 2866 B9R1.69 CN1CCC(=NC1=O)N Amb1105187 [0,1,0,0,0,1|1,0,1]=4 2867 B9R1.69 CN1CCC(N)CC1=O Amb21857737 [0,1,0,0,0,1|1,0,0]=3 2868 B9R1.69 CN1NCC(N)CC1=O Amb25365023 [0,1,0,0,0,1|1,0,0]=3 2869 B9R1.69 C[C@@H]1OC(=O)NC[C@H]1Br Amb24571741 [0,1,0,0,0,1|2,0,0]=4 2870 B9R1.69 C[C@@H]1OC(=O)NC[C@H]1C Amb24679479 [0,1,0,0,0,1|2,0,0]=4 2871 B9R1.69 C[C@H]1OC[C@H](C)NC1=O Amb24515066 [0,1,0,0,0,1|2,0,0]=4 2872 B9R1.69 NC1=NC(=O)NNC1O Amb25691826 [0,1,0,0,0,1|1,0,1]=4 2873 B9R1.69 NC1NC(=O)NCC1Cl Amb25032194 [0,1,0,0,0,1|1,0,0]=3 2874 B9R1.69 NC1NC(=O)NCC1F Amb25682328 [0,1,0,0,0,1|1,0,0]=3 2875 B9R1.69 NC1NC(=O)NCC1I Amb24752319 [0,1,0,0,0,1|1,0,0]=3 2876 B9R1.69 O=C1CC(Br)C(F)CN1 Amb25823142 [0,1,0,0,0,1|2,0,0]=4 2877 B9R1.69 O=C1NC(Cl)C(Cl)NN1 Amb24635688 [0,1,0,0,0,1|2,0,0]=4 2878 B9R1.69 OC1CNC(=O)CC1O Amb25090826 [0,1,0,0,0,1|2,0,0]=4 2879 B9R1.69 OC1NC(=O)NNC1O Amb24382268 [0,1,0,0,0,1|2,0,0]=4 2880 B9R1.69 O[C@@H]1CNC(=O)C[C@@H]1O Amb24517387 [0,1,0,0,0,1|2,0,0]=4 2881 B9R1.69 O[C@H]1CNC(=O)C[C@H]1O Amb25211306 [0,1,0,0,0,1|2,0,0]=4 2882 B9R1.15 CCC1CCCNC1=O Amb22276357 [0,1,0,0,0,1|2,0,0]=4 2883 B9R1.15 CCC1COCCC1=O Amb25687037 [0,1,0,0,0,1|2,0,0]=4 2884 B9R1.15 CCC1SCCNC1=O Amb2503977 [0,1,0,0,0,1|2,0,0]=4 2885 B9R1.15 CC[C@@H]1NCCNC1=O Amb24477871 [0,1,0,0,0,1|2,0,0]=4 2886 B9R1.15 CC[C@H]1NCCNC1=O Amb25843230 [0,1,0,0,0,1|2,0,0]=4 2887 B9R1.15 CNC1CCCNC1=O Amb18946630 [0,1,0,0,0,1|1,0,0]=3 2888 B9R1.15 COC1CCCNC1=O Amb16231349 [0,1,0,0,0,1|2,0,0]=4 2889 B9R1.15 COC1COC=CC1=O Amb25286719 [0,1,0,0,0,1|2,0,0]=4 2890 B9R1.15 COC1COCCC1=O Amb20241319 [0,1,0,0,0,1|2,0,0]=4 2891 B9R1.15 CO[C@@H]1COCCC1=O Amb22232585 [0,1,0,0,0,1|2,0,0]=4 2892 B9R1.15 CSC1CCCNC1=O Amb24717384 [0,1,0,0,0,1|2,0,0]=4 2893 B9R1.15 N#CC1CCCNC1=O Amb25368579 [0,1,0,0,0,1|1,0,1]=4 2894 B9R1.15 N#CC1CCOCC1=O Amb18832849 [0,1,0,0,0,1|1,0,1]=4 2895 B9R1.15 N#CC1COCCC1=O Amb18832847 [0,1,0,0,0,1|1,0,1]=4 2896 B9R1.15 NC1COCNC1CO Amb25259239 [0,1,0,0,0,1|0,0,2]=4 2897 B9R1.15 NCC1CCCCC1=O Amb18203259 [0,1,0,0,0,1|2,0,0]=4 2898 B9R1.15 NCC1CCCNC1=O Amb19514595 [0,1,0,0,0,1|1,0,0]=3 2899 B9R1.15 NCC1CCCNC1=O Amb23586199 [0,1,0,0,0,1|1,0,0]=3 2900 B9R1.15 NCC1COCCC1=O Amb25136587 [0,1,0,0,0,1|1,0,0]=3 2901 B9R1.15 OCC1OCCNC1=O Amb25235028 [0,1,0,0,0,1|2,0,0]=4 2902 B9R1.15 OC[C@H]1NCCNC1=O Amb25054754 [0,1,0,0,0,1|2,0,0]=4 2903 B9R1.40 CC1(Br)CCCNC1=O Amb25326195 [0,1,0,0,0,1|2,0,0]=4 2904 B9R1.40 CC1(C)CCNCC1=O Amb25801517 [0,1,0,0,0,1|2,0,0]=4 2905 B9R1.40 CC1(C)COC=CC1=O Amb24360651 [0,1,0,0,0,1|2,0,0]=4 2906 B9R1.40 CC1(C)COCCC1=O Amb18832625 [0,1,0,0,0,1|2,0,0]=4 2907 B9R1.40 CC1(C)COCOC1=O Amb25204142 [0,1,0,0,0,1|2,0,0]=4 2908 B9R1.40 CC1(C)SCCNC1=O Amb22261440 [0,1,0,0,0,1|2,0,0]=4 2909 B9R1.40 CC1(Cl)CCCNC1=O Amb24332060 [0,1,0,0,0,1|2,0,0]=4 2910 B9R1.40 CC1(N)CCCCC1=O Amb25219565 [0,1,0,0,0,1|2,0,0]=4 2911 B9R1.40 CC1(N)CCONC1=O Amb24568510 [0,1,0,0,0,1|0,0,0]=2 2912 B9R1.40 CC1(O)COCCC1=O Amb24737493 [0,1,0,0,0,1|2,0,0]=4 2913 B9R1.40 CC1(O)SCCNC1=O Amb24436515 [0,1,0,0,0,1|2,0,0]=4 2914 B9R1.40 C[C@@]1(N)CCCNC1=O Amb25840326 [0,1,0,0,0,1|1,0,0]=3 2915 B9R1.40 O=C1CNCCC1(F)F Amb25268151 [0,1,0,0,0,1|2,0,0]=4 2916 B9R1.40 O=C1NCCCC1(Br)Br Amb22434360 [0,1,0,0,0,1|2,0,0]=4 2917 B9R1.40 O=C1NCCCC1(C)C Amb15701290 [0,1,0,0,0,1|2,0,0]=4 2918 B9R1.40 O=C1NCCCC1(Cl)Cl Amb24428907 [0,1,0,0,0,1|2,0,0]=4 2919 B9R1.40 O=C1NCCCC1(F)F Amb22899413 [0,1,0,0,0,1|2,0,0]=4 2920 B9R1.22 CC1CC(CO)C(=O)N1 Amb24697068 [0,2,0,0,0,0|2,0,0]=4 2921 B9R1.22 CC1CC(NC)C(=O)O1 Amb24476720 [0,2,0,0,0,0|2,0,0]=4 2922 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [0,2,0,0,0,0|2,0,0]=4 2923 B9R1.22 CCC1CC(O)NC1=O Amb25317297 [0,2,0,0,0,0|2,0,0]=4 2924 B9R1.22 CC[C@H]1CC(=O)NC1=O Amb24606518 [0,2,0,0,0,0|2,0,0]=4 2925 B9R1.22 CC[C@H]1C[C@@H](O)NC1=O Amb24733309 [0,2,0,0,0,0|2,0,0]=4 2926 B9R1.22 CO[C@H]1CC(=O)NC1=O Amb25765322 [0,2,0,0,0,0|2,0,0]=4 2927 B9R1.22 CS[C@@H]1CC(=O)NC1=O Amb24367247 [0,2,0,0,0,0|2,0,0]=4 2928 B9R1.22 NCC1CC(=O)NC1=O Amb22899269 [0,2,0,0,0,0|1,0,0]=3 2929 B9R1.22 NCC1NC(=O)NC1=O Amb18832575 [0,2,0,0,0,0|2,0,0]=4 2930 B9R1.22 NCC1OC(=O)NC1=O Amb25301574 [0,2,0,0,0,0|2,0,0]=4 2931 B9R1.24 NCC1CCNS1(=O)=O Amb23078644 [0,2,0,0,0,0|2,0,0]=4 2932 B9R1.27 CC1=NNC(=O)C1CN Amb22586694 [0,2,0,0,0,0|1,0,1]=4 2933 B9R1.27 CC1CNC(=O)C1CN Amb24527760 [0,2,0,0,0,0|1,0,0]=3 2934 B9R1.27 NCC1C(=NNC1=O)C Amb10607325 [0,2,0,0,0,0|1,0,1]=4 2935 B9R1.33 C=CCC1CCNC1=O Amb24384112 [0,2,0,0,0,0|2,0,0]=4 2936 B9R1.33 C=CO[C@H]1CCNC1=O Amb24684160 [0,2,0,0,0,0|2,0,0]=4 2937 B9R1.33 CCCC1CCNC1=O Amb24548217 [0,2,0,0,0,0|2,0,0]=4 2938 B9R1.33 CCNC1CCSC1=O Amb25706233 [0,2,0,0,0,0|2,0,0]=4 2939 B9R1.33 CCN[C@H]1CCSC1=O Amb25849350 [0,2,0,0,0,0|2,0,0]=4 2940 B9R1.33 CNCC1=CONC1=O Amb24638132 [0,2,0,0,0,0|0,0,2]=4 2941 B9R1.33 CNCC1CCNC1=O Amb24625860 [0,2,0,0,0,0|1,0,0]=3 2942 B9R1.33 COCC1CCNC1=O Amb25716244 [0,2,0,0,0,0|2,0,0]=4 2943 B9R1.33 CONC1CCNC1=O Amb24450496 [0,2,0,0,0,0|1,0,0]=3 2944 B9R1.33 N#CNC1CONC1=O Amb25240897 [0,2,0,0,0,0|0,0,0]=2 2945 B9R1.33 NCCC1=CONC1=O Amb24742027 [0,2,0,0,0,0|0,0,2]=4 2946 B9R1.33 NCCC1CCCC1=O Amb18832679 [0,2,0,0,0,0|2,0,0]=4 2947 B9R1.33 NCCC1CCNC1=O Amb18832608 [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.33 NCCC1CCOC1=O Amb25141974 [0,2,0,0,0,0|2,0,0]=4 2949 B9R1.33 O=C1NOCC1N=C=S Amb25201135 [0,2,0,0,0,0|0,0,1]=3 2950 B9R1.33 O=CNC1CCNC1=O Amb24366646 [0,2,0,0,0,0|1,0,0]=3 2951 B9R1.33 O=CNC1CONC1=O Amb25125306 [0,2,0,0,0,0|0,0,0]=2 2952 B9R1.33 OCCC1CCNC1=O Amb22491563 [0,2,0,0,0,0|2,0,0]=4 2953 B9R1.33 [N-]=[N+]=NC1COCC1=O Amb24374783 [0,2,0,0,0,0|1,0,1]=4 2954 B9R1.41 CC(=C)C1CCNC1=O Amb25265235 [0,2,0,0,0,0|2,0,0]=4 2955 B9R1.41 CC(C)C1COCC1=O Amb23590155 [0,2,0,0,0,0|2,0,0]=4 2956 B9R1.41 CC(N)C1CCCC1=O Amb25713567 [0,2,0,0,0,0|2,0,0]=4 2957 B9R1.41 CC(O)C1CNNC1=O Amb24062250 [0,2,0,0,0,0|2,0,0]=4 2958 B9R1.41 C[C@@H](N)[C@H]1CCOC1=O Amb24581234 [0,2,0,0,0,0|2,0,0]=4 2959 B9R1.41 C[C@@H](O)[C@@H]1CNNC1=O Amb24553848 [0,2,0,0,0,0|2,0,0]=4 2960 B9R1.41 NC(=O)C1CCCC1=O Amb16233729 [0,2,0,0,0,0|2,0,0]=4 2961 B9R1.41 NC(=O)C1CCNC1=O Amb24581573 [0,2,0,0,0,0|1,0,0]=3 2962 B9R1.41 NC(=O)C1CCOC1=O Amb24575255 [0,2,0,0,0,0|2,0,0]=4 2963 B9R1.41 NC(=O)[C@@H]1CCCC1=O Amb24182045 [0,2,0,0,0,0|2,0,0]=4 2964 B9R1.41 NC(=S)N1CCNC1=O Amb24394363 [0,2,0,0,0,0|2,0,0]=4 2965 B9R1.41 NC1CCN[C@@H]1C(O)=O Amb25032243 [0,2,0,0,0,0|1,0,1]=4 2966 B9R1.41 NC1COCC1C(N)=O Amb25129487 [0,2,0,0,0,0|1,0,1]=4 2967 B9R1.41 NC1COCC1C(O)=O Amb24709230 [0,2,0,0,0,0|1,0,1]=4 2968 B9R1.41 N[C@@H]1CCN[C@@H]1C(O)=O Amb19929517 [0,2,0,0,0,0|1,0,1]=4 2969 B9R1.41 N[C@@H]1COC[C@@H]1C(O)=O Amb24078777 [0,2,0,0,0,0|1,0,1]=4 2970 B9R1.41 N[C@H]1COC[C@@H]1C(O)=O Amb24605467 [0,2,0,0,0,0|1,0,1]=4 2971 B9R1.41 N[C@H]1COC[C@H]1C(O)=O Amb24763623 [0,2,0,0,0,0|1,0,1]=4 2972 B9R1.41 OC(=O)C1CCNC1=O Amb18642691 [0,2,0,0,0,0|2,0,0]=4 2973 B9R1.41 OC(=O)C1CSNC1=O Amb25234069 [0,2,0,0,0,0|1,1,0]=4 2974 B9R1.41 [O-][N+](=O)C1=NOCC1C Amb10574921 [0,2,0,0,0,0|1,0,1]=4 2975 B9R1.132 CC1C(CNC1=O)CC Amb24395523 [0,2,0,0,0,0|2,0,0]=4 2976 B9R1.132 CC1C(CO)CNC1=O Amb25142911 [0,2,0,0,0,0|2,0,0]=4 2977 B9R1.132 CC1C(OCC1=O)OC Amb24690537 [0,2,0,0,0,0|2,0,0]=4 2978 B9R1.132 CC1[C@@H](CO)CNC1=O Amb24724590 [0,2,0,0,0,0|2,0,0]=4 2979 B9R1.132 CCC1CNC(=O)C1N Amb25732553 [0,2,0,0,0,0|1,0,0]=3 2980 B9R1.132 CCN1CCC(Br)C1=O Amb22749189 [0,2,0,0,0,0|2,0,0]=4 2981 B9R1.132 CCN1CCC(F)C1=O Amb24477999 [0,2,0,0,0,0|2,0,0]=4 2982 B9R1.132 CCN1CCC(N)C1=O Amb18945418 [0,2,0,0,0,0|1,0,0]=3 2983 B9R1.132 CCN1OCC(Br)C1=O Amb25032274 [0,2,0,0,0,0|1,0,0]=3 2984 B9R1.132 CCN1OCC(N)C1=S Amb24630043 [0,2,0,0,0,0|0,1,0]=3 2985 B9R1.132 CC[C@@H]1CNC(=O)[C@@H]1N Amb24603686 [0,2,0,0,0,0|1,0,0]=3 2986 B9R1.132 CC[C@@H]1ONC(=O)[C@H]1N Amb25745431 [0,2,0,0,0,0|0,0,0]=2 2987 B9R1.132 CN1CCC(C#N)C1=O Amb24520729 [0,2,0,0,0,0|1,0,1]=4 2988 B9R1.132 CN1CCC(C=O)C1=O Amb18642509 [0,2,0,0,0,0|2,0,0]=4 2989 B9R1.132 CN1CCC(CO)C1=O Amb22236004 [0,2,0,0,0,0|2,0,0]=4 2990 B9R1.132 CNC1CCN(C)C1=O Amb18945539 [0,2,0,0,0,0|1,0,0]=3 2991 B9R1.132 CON1CCC(Br)C1=O Amb22749188 [0,2,0,0,0,0|2,0,0]=4 2992 B9R1.132 CON1CCC(S)C1=O Amb24380243 [0,2,0,0,0,0|2,0,0]=4 2993 B9R1.132 C[C@H]1[C@@H](CO)CNC1=O Amb25204711 [0,2,0,0,0,0|2,0,0]=4 2994 B9R1.132 N[C@H]1[C@H](CS)COC1=O Amb24715941 [0,2,0,0,0,0|2,0,0]=4 2995 B9R1.202 CC1(CCNC1=O)C#N Amb24477809 [0,2,0,0,0,0|1,0,1]=4 2996 B9R1.202 CC1(CN)CCNC1=O Amb24105417 [0,2,0,0,0,0|1,0,0]=3 2997 B9R1.202 CC1(CO)CNNC1=O Amb24102993 [0,2,0,0,0,0|2,0,0]=4 2998 B9R1.202 CCC1(C)CCNC1=O Amb24118004 [0,2,0,0,0,0|2,0,0]=4 2999 B9R1.23 CC1CC(CC)NC1=O Amb20623299 [0,2,0,0,0,0|2,0,0]=4 3000 B9R1.23 CC1CC(NC1=O)OC Amb24545577 [0,2,0,0,0,0|2,0,0]=4 3001 B9R1.23 CCC1CC(O)C(=O)N1 Amb24426760 [0,2,0,0,0,0|2,0,0]=4 3002 B9R1.23 CC[C@@H]1C[C@H](N)C(=O)O1 Amb25163624 [0,2,0,0,0,0|2,0,0]=4 3003 B9R1.23 C[C@@H]1C[C@@H](CO)NC1=O Amb25340422 [0,2,0,0,0,0|2,0,0]=4 3004 B9R1.23 C[C@H]1C[C@@H](CCl)NC1=O Amb24515072 [0,2,0,0,0,0|2,0,0]=4 3005 B9R1.23 NC1CC(CF)NC1=O Amb25716850 [0,2,0,0,0,0|1,0,0]=3 3006 B9R1.23 NC1CC(CO)NC1=O Amb25124342 [0,2,0,0,0,0|1,0,0]=3 3007 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [0,2,0,0,0,0|2,0,0]=4 3008 B9R1.23 N[C@@H]1C[C@@H](CO)NC1=O Amb24645846 [0,2,0,0,0,0|1,0,0]=3 3009 B9R1.23 N[C@@H]1C[C@@H](CO)OC1=O Amb25327262 [0,2,0,0,0,0|2,0,0]=4 3010 B9R1.23 N[C@H]1CC(CO)OC1=O Amb25771995 [0,2,0,0,0,0|2,0,0]=4 3011 B9R1.23 N[C@H]1C[C@@H](CO)NC1=O Amb24561327 [0,2,0,0,0,0|1,0,0]=3 3012 B9R1.23 N[C@H]1C[C@H](CO)OC1=O Amb24567157 [0,2,0,0,0,0|2,0,0]=4 3013 B9R1.23 OC[C@@H]1C[C@@H](F)C(=O)N1 Amb24680941 [0,2,0,0,0,0|2,0,0]=4 3014 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,2,0,0,0,0|2,0,0]=4 3015 B9R1.36 CC1(C)CC(O)C(=O)N1 Amb24475313 [0,2,0,0,0,0|2,0,0]=4 3016 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,2,0,0,0,0|2,0,0]=4 3017 B9R1.36 CC1CC(C)(C)NC1=O Amb19149267 [0,2,0,0,0,0|2,0,0]=4 3018 B9R1.36 NC1CS(=O)(=O)NC1=O Amb25223128 [0,2,0,0,0,0|0,1,0]=3 3019 B9R1.36 N[C@H]1CS(=O)(=O)NC1=O Amb24529249 [0,2,0,0,0,0|0,1,0]=3 3020 B9R1.37 CC1C(C)C(=O)NC1=O Amb19148076 [0,2,0,0,0,0|2,0,0]=4 3021 B9R1.37 CC1C(N)C(=O)OC1=O Amb24549009 [0,2,0,0,0,0|2,0,0]=4 3022 B9R1.37 CC1C(O)C(=O)NC1=O Amb24749603 [0,2,0,0,0,0|2,0,0]=4 3023 B9R1.37 CC1CC(=O)N(N)C1=O Amb25059774 [0,2,0,0,0,0|2,0,0]=4 3024 B9R1.37 CC1CC(N)C(=O)N1C Amb25250305 [0,2,0,0,0,0|1,0,0]=3 3025 B9R1.37 CC1CC(N)C(=O)N1O Amb25809402 [0,2,0,0,0,0|1,0,0]=3 3026 B9R1.37 CC1NN(C)C(=O)C1O Amb25102595 [0,2,0,0,0,0|2,0,0]=4 3027 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [0,2,0,0,0,0|2,0,0]=4 3028 B9R1.37 CC1OC(=O)C(N)C1O Amb25120313 [0,2,0,0,0,0|2,0,0]=4 3029 B9R1.37 CN1C(=O)CC(Cl)C1=O Amb25756999 [0,2,0,0,0,0|2,0,0]=4 3030 B9R1.37 CN1C(=O)CC(N)C1=O Amb19148819 [0,2,0,0,0,0|1,0,0]=3 3031 B9R1.37 CN1C(=O)CC(O)C1=O Amb22388645 [0,2,0,0,0,0|2,0,0]=4 3032 B9R1.37 CN1C(=O)C[C@@H](N)C1=O Amb18033836 [0,2,0,0,0,0|1,0,0]=3 3033 B9R1.37 CN1C[C@H](O)[C@@H](O)C1=O Amb24738041 [0,2,0,0,0,0|2,0,0]=4 3034 B9R1.37 CN1[C@@H](C)C[C@@H](C)C1=O Amb25347216 [0,2,0,0,0,0|2,0,0]=4 3035 B9R1.37 CN1[C@H](C)C[C@@H](C)C1=O Amb25174058 [0,2,0,0,0,0|2,0,0]=4 3036 B9R1.37 C[C@@H]1C(C)C(=O)NC1=O Amb24399285 [0,2,0,0,0,0|2,0,0]=4 3037 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N Amb22747095 [0,2,0,0,0,0|1,0,0]=3 3038 B9R1.37 C[C@@H]1CN(O)C(=O)[C@H]1N Amb24678122 [0,2,0,0,0,0|1,0,0]=3 3039 B9R1.37 C[C@@H]1NN(C)C(=O)[C@@H]1O Amb24601801 [0,2,0,0,0,0|2,0,0]=4 3040 B9R1.37 C[C@@H]1[C@@H](C)C(=O)NC1=C Amb25064615 [0,2,0,0,0,0|2,0,0]=4 3041 B9R1.37 C[C@@H]1[C@@H](N)C(=O)O[C@H]1C Amb24575237 [0,2,0,0,0,0|2,0,0]=4 3042 B9R1.37 C[C@@H]1[C@H](N)C(=O)O[C@@H]1C Amb24606913 [0,2,0,0,0,0|2,0,0]=4 3043 B9R1.37 C[C@H]1CN(O)C(=O)[C@@H]1N Amb24587752 [0,2,0,0,0,0|1,0,0]=3 3044 B9R1.37 C[C@H]1OC(=O)C(=O)C1C Amb24748953 [0,2,0,0,0,0|2,0,0]=4 3045 B9R1.37 C[C@H]1OC(=O)[C@@H](N)[C@@H]1O Amb24561377 [0,2,0,0,0,0|2,0,0]=4 3046 B9R1.37 C[C@H]1[C@@H](C)C(=O)NC1=C Amb24608855 [0,2,0,0,0,0|2,0,0]=4 3047 B9R1.37 C[C@H]1[C@@H](N)C(=O)O[C@@H]1C Amb25259190 [0,2,0,0,0,0|2,0,0]=4 3048 B9R1.37 C[C@H]1[C@H](C)C(=O)NC1=O Amb24604822 [0,2,0,0,0,0|2,0,0]=4 3049 B9R1.37 C[C@H]1[C@H](N)C(=O)OC1C Amb24585127 [0,2,0,0,0,0|2,0,0]=4 3050 B9R1.37 C[C@H]1[C@H](O)[C@@H](C)NC1=O Amb25203685 [0,2,0,0,0,0|2,0,0]=4 3051 B9R1.37 N[C@H]1CC(=O)N(C1=O)C Amb17134613 [0,2,0,0,0,0|1,0,0]=3 3052 B9R1.37 O=C1NS(=O)C(Cl)C1Cl Amb24479968 [0,2,0,0,0,0|1,1,0]=4 3053 B9R1.37 OC1OC(=O)C(=O)C1Cl Amb24480000 [0,2,0,0,0,0|2,0,0]=4 3054 B9R1.37 O[C@@H]1[C@@H](O)C(=O)NC1=O Amb25359783 [0,2,0,0,0,0|2,0,0]=4 3055 B9R1.37 O[C@H]1[C@H](O)C(=O)NC1=O Amb24545319 [0,2,0,0,0,0|2,0,0]=4 3056 B9R1.38 CC1(Br)CC(=O)NC1=O Amb25095370 [0,2,0,0,0,0|2,0,0]=4 3057 B9R1.38 CC1(C)CC(=C)NC1=O Amb25147122 [0,2,0,0,0,0|2,0,0]=4 3058 B9R1.38 CC1(N)NC(=O)NC1=O Amb25146123 [0,2,0,0,0,0|2,0,0]=4 3059 B9R1.38 CC1(O)CC(=O)NC1=O Amb24478769 [0,2,0,0,0,0|2,0,0]=4 3060 B9R1.38 CC1CC(C)(N)C(=O)O1 Amb24381415 [0,2,0,0,0,0|2,0,0]=4 3061 B9R1.38 C[C@]1(O)CC(=O)NC1=O Amb22226513 [0,2,0,0,0,0|2,0,0]=4 3062 B9R1.106 CC1(C)C(N)CNC1=O Amb23439606 [0,2,0,0,0,0|2,0,0]=4 3063 B9R1.106 CC1(C)C(O)OCC1=O Amb24677306 [0,2,0,0,0,0|2,0,0]=4 3064 B9R1.106 CC1(C)[C@@H](N)CNC1=O Amb23439617 [0,2,0,0,0,0|2,0,0]=4 3065 B9R1.106 CC1CNC(=O)C1(C)O Amb24524191 [0,2,0,0,0,0|2,0,0]=4 3066 B9R1.106 C[C@@]1(O)[C@H](O)CNC1=O Amb24618201 [0,2,0,0,0,0|2,0,0]=4 3067 B9R1.138 CC1(Br)COC(=O)C1=O Amb17595052 [0,2,0,0,0,0|2,0,0]=4 3068 B9R1.138 CC1(C)CNC(=O)C1N Amb25224596 [0,2,0,0,0,0|1,0,0]=3 3069 B9R1.138 CC1(C)CNC(=O)[C@@H]1N Amb24715876 [0,2,0,0,0,0|1,0,0]=3 3070 B9R1.138 CC1(C)CNC(=O)[C@@H]1O Amb25083101 [0,2,0,0,0,0|2,0,0]=4 3071 B9R1.138 CC1(C)COC(=O)C1N Amb18642696 [0,2,0,0,0,0|2,0,0]=4 3072 B9R1.138 CC1(C)COC(=O)[C@@H]1N Amb25083661 [0,2,0,0,0,0|2,0,0]=4 3073 B9R1.138 CC1(C)COC(=O)[C@H]1N Amb24589212 [0,2,0,0,0,0|2,0,0]=4 3074 B9R1.138 CC1(C)NOC(=O)C1N Amb25828500 [0,2,0,0,0,0|2,0,0]=4 3075 B9R1.138 CC1(C)NOC(=O)[C@H]1N Amb25032224 [0,2,0,0,0,0|2,0,0]=4 3076 B9R1.138 CC1(C)OCC(=O)C1O Amb24645408 [0,2,0,0,0,0|2,0,0]=4 3077 B9R1.138 CC1(C)OCC(=O)[C@H]1O Amb25807640 [0,2,0,0,0,0|2,0,0]=4 3078 B9R1.138 CC1(C)OCC(Cl)C1=O Amb25837362 [0,2,0,0,0,0|2,0,0]=4 3079 B9R1.138 CC1(C)SSC(=O)C1N Amb25238368 [0,2,0,0,0,0|1,1,0]=4 3080 B9R1.138 CC1C(=O)NCC1(C)O Amb24682288 [0,2,0,0,0,0|2,0,0]=4 3081 B9R1.138 CN1CCC(F)(F)C1=O Amb25697108 [0,2,0,0,0,0|2,0,0]=4 3082 B9R1.138 OC1C(=O)NCC1(C)C Amb16203297 [0,2,0,0,0,0|2,0,0]=4 3083 B7R1.3 N=C1CNCCN1 Amb24587647 [0,0,1,1,0,0|2,0,0]=4 3084 B7R1.3 O=C1CCCNC1 Amb10070944 [0,0,1,1,0,0|2,0,0]=4 3085 B7R1.3 O=C1CCCNC1 Amb10602349 [0,0,1,1,0,0|2,0,0]=4 3086 B7R1.3 O=C1CCCNN1 Amb18061622 [0,0,1,1,0,0|2,0,0]=4 3087 B7R1.3 O=C1CNCCC1 Amb19958010 [0,0,1,1,0,0|2,0,0]=4 3088 B7R1.3 O=C1CNCCO1 Amb19958702 [0,0,1,1,0,0|2,0,0]=4 3089 B7R1.3 O=C1CNCNC1 Amb24479362 [0,0,1,1,0,0|2,0,0]=4 3090 B7R1.3 O=C1COCCC1 Amb19373430 [0,0,1,1,0,0|2,0,0]=4 3091 B7R1.3 O=C1COCCN1 Amb15691115 [0,0,1,1,0,0|2,0,0]=4 3092 B7R1.3 O=C1COCOC1 Amb25319015 [0,0,1,1,0,0|2,0,0]=4 3093 B7R1.6 CONC1CNC1 Amb25771622 [0,0,1,1,0,0|1,0,1]=4 3094 B7R1.10 O=CC1CC(=O)N1 Amb24479772 [0,0,1,1,0,0|2,0,0]=4 3095 B7R1.22 CCC(=O)[C@H]1CO1 Amb24570869 [0,0,1,1,0,0|2,0,0]=4 3096 B7R1.22 NCC(=O)C1CC1 Amb18197870 [0,0,1,1,0,0|2,0,0]=4 3097 B7R1.22 O=C(CCl)C1CO1 Amb24104153 [0,0,1,1,0,0|2,0,0]=4 3098 B7R1.22 O=C(CCl)N1CC1 Amb19651585 [0,0,1,1,0,0|2,0,0]=4 3099 B7R1.25 CC1(COC1)C=O Amb17933843 [0,0,1,1,0,0|2,0,0]=4 3100 B7R1.12 C[C@@H]1C[C@@H]1C(N)=O Amb25745425 [0,0,1,1,0,0|2,0,0]=4 3101 B7R1.12 C[C@@H]1N[C@H]1C(O)=O Amb24120621 [0,0,1,1,0,0|2,0,0]=4 3102 B7R1.12 NC(=O)[C@@H]1C[C@@H]1Br Amb24519223 [0,0,1,1,0,0|2,0,0]=4 3103 B7R1.12 NC1CC1C(N)=O Amb18279694 [0,0,1,1,0,0|2,0,0]=4 3104 B7R1.12 OC1CC1C(O)=O Amb24360896 [0,0,1,1,0,0|2,0,0]=4 3105 B7R1.18 NC(=N)[C@H]1CCN1 Amb24542766 [0,0,1,1,0,0|2,0,0]=4 3106 B7R1.18 NC(=O)C1CCN1 Amb22230240 [0,0,1,1,0,0|1,0,0]=3 3107 B7R1.18 NC(=O)C1CCN1 Amb22491865 [0,0,1,1,0,0|1,0,0]=3 3108 B7R1.18 NC(=O)C1CCO1 Amb24478900 [0,0,1,1,0,0|2,0,0]=4 3109 B7R1.18 NC(=O)C1CNC1 Amb10976072 [0,0,1,1,0,0|2,0,0]=4 3110 B7R1.18 NC(=O)C1CNC1 Amb20061301 [0,0,1,1,0,0|2,0,0]=4 3111 B7R1.18 NC(=O)C1CNC1 Amb21960249 [0,0,1,1,0,0|2,0,0]=4 3112 B7R1.18 O=C(Cl)C1COC1 Amb25201101 [0,0,1,1,0,0|2,0,0]=4 3113 B7R1.18 OC(=O)C1CCN1 Amb2371568 [0,0,1,1,0,0|2,0,0]=4 3114 B7R1.19 CC(=O)C1(N)CC1 Amb25279285 [0,0,1,1,0,0|2,0,0]=4 3115 B7R1.19 CC1(CC1)C(N)=O Amb19958822 [0,0,1,1,0,0|2,0,0]=4 3116 B7R1.19 CC1(CC1)C(N)=O Amb22752771 [0,0,1,1,0,0|2,0,0]=4 3117 B7R1.19 CC1(CO1)C(=O)O Amb17593087 [0,0,1,1,0,0|2,0,0]=4 3118 B7R1.19 CC1(CO1)C(N)=O Amb25261467 [0,0,1,1,0,0|1,0,0]=3 3119 B7R1.19 C[C@@]1(CO1)C(O)=O Amb25785347 [0,0,1,1,0,0|2,0,0]=4 3120 B7R1.19 C[C@]1(CO1)C(O)=O Amb25063884 [0,0,1,1,0,0|2,0,0]=4 3121 B7R1.19 NC(=O)C1(Br)CC1 Amb22234538 [0,0,1,1,0,0|2,0,0]=4 3122 B7R1.19 NC(=O)C1(N)CC1 Amb20622292 [0,0,1,1,0,0|1,0,0]=3 3123 B7R1.19 NC(=O)C1(N)CC1 Amb22001522 [0,0,1,1,0,0|1,0,0]=3 3124 B7R1.19 NC(=O)C1(O)CC1 Amb25745829 [0,0,1,1,0,0|2,0,0]=4 3125 B7R1.19 NC(=S)C1(N)CC1 Amb24640491 [0,0,1,1,0,0|1,1,0]=4 3126 B7R1.19 NC1(CC1)C(=O)Cl Amb24565891 [0,0,1,1,0,0|2,0,0]=4 3127 B7R1.24 C1CNOCCN1 Amb24637039 [0,0,1,1,0,0|1,0,1]=4 3128 B7R2.10 O=C1NC2CC12 Amb25663246 [1,0,0,1,0,0|1,0,0]=3 3129 B7R2.10 O=C1N[C@@H]2C[C@H]12 Amb24568016 [1,0,0,1,0,0|1,0,0]=3 3130 B7R2.13 C1OCC2NC21 Amb22500569 [1,0,0,1,0,0|1,0,1]=4 3131 B9R2.8 O=C1NC2CC(C2)O1 Amb24524286 [0,0,0,1,0,1|2,0,0]=4 3132 B9R2.18 CC1C2CNC(=O)C21 Amb24516348 [0,0,0,1,0,1|2,0,0]=4 3133 B9R2.25 C[C@@H]1CC(=O)[C@H]2O[C@H]21 Amb25348559 [0,0,0,1,0,1|2,0,0]=4 3134 B9R2.25 NC1=NC(=O)N2CC21 Amb22352757 [0,0,0,1,0,1|1,0,1]=4 3135 B9R2.25 O[C@H]1CC(=O)[C@H]2O[C@H]21 Amb24626593 [0,0,0,1,0,1|2,0,0]=4 3136 B9R2.29 OC1CC2NC(=O)C21 Amb25272666 [0,0,0,1,0,1|2,0,0]=4 3137 B9R2.38 NC12CC1NC(=O)C2 Amb25848870 [0,0,0,1,0,1|1,0,0]=3 3138 B9R2.39 O=C1CC2COC1C2 Amb24734169 [0,0,0,1,0,1|2,0,0]=4 3139 B9R2.39 O=C1C[C@@H]2CC[C@H]1N2 Amb25259133 [0,0,0,1,0,1|2,0,0]=4 3140 B9R2.39 O=C1C[C@H]2CO[C@@H]1C2 Amb24571771 [0,0,0,1,0,1|2,0,0]=4 3141 B9R2.39 O=C1NC2COC1C2 Amb24547028 [0,0,0,1,0,1|2,0,0]=4 3142 B9R2.109 O=C1NCCC2CC12 Amb25717930 [0,0,0,1,0,1|2,0,0]=4 3143 B9R2.109 O=C1NCCC2OC12 Amb25790016 [0,0,0,1,0,1|2,0,0]=4 3144 B9R2.109 O=C1NCC[C@H]2O[C@@H]12 Amb24579393 [0,0,0,1,0,1|2,0,0]=4 3145 B9R2.17 N[C@@]12C[C@@H]1COC2=O Amb25175091 [0,0,0,1,0,1|2,0,0]=4 3146 B9R2.19 O=C1NCC2CC1C2 Amb25221783 [0,0,0,1,0,1|2,0,0]=4 3147 B9R2.5 O=C1NCCC12CC2 Amb24053126 [0,1,0,1,0,0|2,0,0]=4 3148 B9R2.7 O=C1NC2CCNC12 Amb24398777 [0,1,0,1,0,0|1,0,1]=4 3149 B9R2.20 O=C1NCC2CCC12 Amb24121240 [0,1,0,1,0,0|2,0,0]=4 3150 B9R2.40 CC12CNC(=O)C1C2 Amb24481580 [0,1,0,1,0,0|2,0,0]=4 3151 B5R1.2 BrC1CNC1 Amb22229230 [1,0,0,0,1,0|1,0,1]=4 3152 B5R1.2 BrC1CNC1 Amb22235472 [1,0,0,0,1,0|1,0,1]=4 3153 B5R1.2 BrC1CNC1 Amb22304219 [1,0,0,0,1,0|1,0,1]=4 3154 B5R1.2 BrC1COC1 Amb2383522 [1,0,0,0,1,0|1,0,1]=4 3155 B5R1.2 C=C1CCC1 Amb19374657 [1,0,0,0,1,0|2,0,0]=4 3156 B5R1.2 C=C1CCO1 Amb22736695 [1,0,0,0,1,0|1,0,0]=3 3157 B5R1.2 CC1CCN1 Amb19373963 [1,0,0,0,1,0|1,0,1]=4 3158 B5R1.2 CC1CCO1 Amb22284855 [1,0,0,0,1,0|1,0,1]=4 3159 B5R1.2 CC1CNC1 Amb19957931 [1,0,0,0,1,0|1,0,1]=4 3160 B5R1.2 CC1COC1 Amb20621708 [1,0,0,0,1,0|1,0,1]=4 3161 B5R1.2 C[C@H]1CCN1 Amb24476939 [1,0,0,0,1,0|1,0,1]=4 3162 B5R1.2 ClC1CC=C1 Amb24710063 [1,0,0,0,1,0|2,0,0]=4 3163 B5R1.2 ClC1CNC1 Amb21960859 [1,0,0,0,1,0|1,0,1]=4 3164 B5R1.2 ClC1CNC1 Amb22232545 [1,0,0,0,1,0|1,0,1]=4 3165 B5R1.2 ClC1COC1 Amb22737242 [1,0,0,0,1,0|1,0,1]=4 3166 B5R1.2 FC1CNC1 Amb19148506 [1,0,0,0,1,0|1,0,1]=4 3167 B5R1.2 FC1COC1 Amb21960819 [1,0,0,0,1,0|1,0,1]=4 3168 B5R1.2 IC1CNC1 Amb22229328 [1,0,0,0,1,0|1,0,1]=4 3169 B5R1.2 IC1COC1 Amb2383523 [1,0,0,0,1,0|1,0,1]=4 3170 B5R1.2 NC1CCO1 Amb24505850 [1,0,0,0,1,0|1,0,1]=4 3171 B5R1.2 NC1CNC1 Amb22737488 [1,0,0,0,1,0|0,0,1]=3 3172 B5R1.2 NC1COC1 Amb21928045 [1,0,0,0,1,0|0,0,1]=3 3173 B5R1.2 NC1CSC1 Amb17597694 [1,0,0,0,1,0|0,1,1]=4 3174 B5R1.2 NC1CSC1 Amb19373792 [1,0,0,0,1,0|0,1,1]=4 3175 B5R1.2 NC1CSC1 Amb22295804 [1,0,0,0,1,0|0,1,1]=4 3176 B5R1.2 O=C1CC=C1 Amb24477666 [1,0,0,0,1,0|1,0,1]=4 3177 B5R1.2 O=C1CNC1 Amb10975976 [1,0,0,0,1,0|2,0,0]=4 3178 B5R1.2 O=C1COC1 Amb10067645 [1,0,0,0,1,0|1,0,0]=3 3179 B5R1.2 O=C1CSC1 Amb19516222 [1,0,0,0,1,0|1,1,0]=4 3180 B5R1.2 O=C1O[Ba]O1 Amb22052524 [1,0,0,0,1,0|2,0,0]=4 3181 B5R1.2 O=C1O[Mg]O1 Amb22052493 [1,0,0,0,1,0|2,0,0]=4 3182 B5R1.2 O=C1O[Ni]O1 Amb22336202 [1,0,0,0,1,0|2,0,0]=4 3183 B5R1.2 O=C1O[Pb]O1 Amb22052516 [1,0,0,0,1,0|2,0,0]=4 3184 B5R1.2 O=[14C]1O[Ba]O1 Amb22730314 [1,0,0,0,1,0|2,0,0]=4 3185 B5R1.2 OC1C=CO1 Amb25810658 [1,0,0,0,1,0|2,0,0]=4 3186 B5R1.2 OC1CNC1 Amb22489446 [1,0,0,0,1,0|1,0,1]=4 3187 B5R1.2 OC1COC1 Amb10602318 [1,0,0,0,1,0|1,0,1]=4 3188 B5R1.2 SC1CNC1 Amb24477050 [1,0,0,0,1,0|1,0,1]=4 3189 B5R1.2 SC1COC1 Amb22737528 [1,0,0,0,1,0|1,0,1]=4 3190 B5R1.4 C=C1CC1Br Amb25724878 [0,0,0,0,2,0|2,0,0]=4 3191 B5R1.4 C=C1CC1Cl Amb24380574 [0,0,0,0,2,0|2,0,0]=4 3192 B5R1.4 CC1CC1=O Amb24477499 [0,0,0,0,2,0|1,0,0]=3 3193 B5R1.4 CC1CC1N Amb10609752 [0,0,0,0,2,0|1,0,1]=4 3194 B5R1.4 CC1CC1N Amb22886429 [0,0,0,0,2,0|1,0,1]=4 3195 B5R1.4 C[C@@H]1C[C@H]1N Amb13952528 [0,0,0,0,2,0|1,0,1]=4 3196 B5R1.4 C[C@@H]1C[C@H]1N Amb22886313 [0,0,0,0,2,0|1,0,1]=4 3197 B5R1.4 NC1CC1N Amb19514509 [0,0,0,0,2,0|1,0,1]=4 3198 B5R1.4 NC1CC1N Amb20667825 [0,0,0,0,2,0|1,0,1]=4 3199 B5R1.4 NC1C[C@@H]1F Amb25810310 [0,0,0,0,2,0|1,0,1]=4 3200 B5R1.4 NC=1CP1=O Amb25746390 [0,0,0,0,2,0|1,0,1]=4 3201 B5R1.4 N[C@@H]1C[C@H]1F Amb24578374 [0,0,0,0,2,0|1,0,1]=4 3202 B5R1.4 N[C@@H]1C[C@H]1N Amb22745875 [0,0,0,0,2,0|1,0,1]=4 3203 B5R1.4 N[C@H]1C[C@@H]1N Amb25024915 [0,0,0,0,2,0|1,0,1]=4 3204 B5R1.4 N[C@H]1C[C@H]1F Amb25746618 [0,0,0,0,2,0|1,0,1]=4 3205 B5R1.4 O=C1CC1Cl Amb25055752 [0,0,0,0,2,0|1,0,0]=3 3206 B9R1.48 CC1CC(=O)NCCN1 Amb18832620 [0,0,0,0,0,2|2,0,0]=4 3207 B9R1.48 CC1CC(=O)NCCS1 Amb22642277 [0,0,0,0,0,2|2,0,0]=4 3208 B9R1.48 NC1CC(=O)NCCC1 Amb22229644 [0,0,0,0,0,2|1,0,0]=3 3209 B9R1.48 NC1CC(=O)NCCC1 Amb22276469 [0,0,0,0,0,2|1,0,0]=3 3210 B9R1.48 NC1CCCCC(=O)N1 Amb22492650 [0,0,0,0,0,2|2,0,0]=4 3211 B9R1.48 N[C@@H]1CC(=O)NCCC1 Amb24442197 [0,0,0,0,0,2|1,0,0]=3 3212 B9R1.48 O=C1CC(Cl)CCCN1 Amb25105399 [0,0,0,0,0,2|2,0,0]=4 3213 B9R1.48 O=C1COCCC(Cl)C1 Amb25102535 [0,0,0,0,0,2|2,0,0]=4 3214 B9R1.48 O=C1COCNC(=O)O1 Amb24476953 [0,0,0,0,0,2|1,0,1]=4 3215 B9R1.48 OC1CC(=O)NCCC1 Amb25147021 [0,0,0,0,0,2|2,0,0]=4 3216 B9R1.49 CC1COC(=O)NCC1 Amb24393355 [0,0,0,0,0,2|2,0,0]=4 3217 B9R1.49 C[C@H]1CCNC(=O)CC1 Amb25146079 [0,0,0,0,0,2|2,0,0]=4 3218 B9R1.49 NC1CCCC(=O)CC1 Amb25259225 [0,0,0,0,0,2|2,0,0]=4 3219 B9R1.49 NC1CCNC(=O)CC1 Amb24689800 [0,0,0,0,0,2|1,0,0]=3 3220 B9R1.49 NC1CCOC(=O)CC1 Amb23598291 [0,0,0,0,0,2|2,0,0]=4 3221 B9R1.49 NC1CNC(=O)CCC1 Amb22230053 [0,0,0,0,0,2|2,0,0]=4 3222 B9R1.49 NC1CNC(=O)COC1 Amb24532819 [0,0,0,0,0,2|1,0,0]=3 3223 B9R1.5 CC1CCNCCC1=O Amb22263520 [0,0,0,0,0,2|2,0,0]=4 3224 B9R1.5 CC1CCNCCC1=O Amb22886271 [0,0,0,0,0,2|2,0,0]=4 3225 B9R1.5 CC1CSCCNC1=O Amb22642303 [0,0,0,0,0,2|1,1,0]=4 3226 B9R1.5 CC1NCCCNC1=O Amb22496434 [0,0,0,0,0,2|2,0,0]=4 3227 B9R1.5 CC1OCCCNC1=O Amb22886655 [0,0,0,0,0,2|2,0,0]=4 3228 B9R1.5 CC1SCCCNC1=O Amb24451182 [0,0,0,0,0,2|2,0,0]=4 3229 B9R1.5 C[C@@H]1NCCCNC1=O Amb25733316 [0,0,0,0,0,2|2,0,0]=4 3230 B9R1.5 C[C@H]1NCCCNC1=O Amb25146171 [0,0,0,0,0,2|2,0,0]=4 3231 B9R1.5 NC1CCCCCC1=O Amb18276126 [0,0,0,0,0,2|2,0,0]=4 3232 B9R1.5 NC1CCCCNC1=O Amb19958477 [0,0,0,0,0,2|1,0,0]=3 3233 B9R1.5 NC1CNCCNC1=O Amb24476665 [0,0,0,0,0,2|1,0,0]=3 3234 B9R1.5 NC1COCCNC1=O Amb24409830 [0,0,0,0,0,2|0,0,0]=2 3235 B9R1.5 NC1CSCCNC1=O Amb25336468 [0,0,0,0,0,2|0,1,0]=3 3236 B9R1.5 N[C@@H]1CCCCNC1=O Amb20670688 [0,0,0,0,0,2|1,0,0]=3 3237 B9R1.5 N[C@@H]1CSCCNC1=O Amb19374458 [0,0,0,0,0,2|0,1,0]=3 3238 B9R1.5 N[C@H]1CCCCNC1=O Amb19929579 [0,0,0,0,0,2|1,0,0]=3 3239 B9R1.5 O=C1CCNCCC1F Amb22886247 [0,0,0,0,0,2|2,0,0]=4 3240 B9R1.5 O=C1CNCCCC1F Amb22886238 [0,0,0,0,0,2|2,0,0]=4 3241 B9R1.5 O=C1CNCCCC1F Amb25222674 [0,0,0,0,0,2|2,0,0]=4 3242 B9R1.5 O=C1NCCCC[C@H]1N Amb10608775 [0,0,0,0,0,2|1,0,0]=3 3243 B9R1.5 O=C1NCCSC[C@@H]1N Amb10067826 [0,0,0,0,0,2|0,1,0]=3