0 B6R0.2 C=C(Br)CC(C)C Amb22583739 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C=C(C)C=C(C)C Amb8513505 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C=C(C)CC(=C)C Amb25887934 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 C=C(C)CC(=N)N Amb33199196 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 C=C(C)CC(C)=O Amb17593075 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 C=C(C)CC(C)Br Amb24365286 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 C=C(C)CC(C)C Amb4019530 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C=C(C)CC(C)Cl Amb24558200 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C=C(C)CC(C)O Amb17593083 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 C=C(C)CC(N)=S Amb33199195 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.2 C=C(C)CN(C)C Amb25747292 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.2 C=C(C)CN(C)O Amb33199952 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 C=C(C)C[C@@H](C)N Amb33199541 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 C=C(C)C[C@@H](C)O Amb25888510 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 C=C(C)C[C@H](C)N Amb33199534 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 C=C(C)C[C@H](C)O Amb27466720 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.2 C=C(C)C[N+](=O)[O-] Amb33199532 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 C=C(C)OC(C)=O Amb6608981 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.2 C=C(Cl)CC(C)Cl Amb28396615 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.2 C=C(Cl)CN(C)C Amb27425092 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.2 C=C(Cl)NC(C)=N Amb28050130 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.2 C=C(I)CC(=O)O Amb27598435 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.2 C=C(N)NC(C)=O Amb27949916 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.2 CC(=O)C=C(C)C Amb2793052 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 CC(=O)C=C(N)N Amb27788295 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.2 CC(=O)C=[N+]([O-])[O-] Amb33456400 [0,0,0,0,0,0|1,0,3]=4 28 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,0,0,0,0,0|0,0,0]=0 30 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,0,0,0,0,0|0,0,1]=1 31 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.2 CC(=O)CC(C)=S Amb28381251 [0,0,0,0,0,0|1,1,0]=2 33 B6R0.2 CC(=O)CC(C)C Amb4605990 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.2 CC(=O)CC(C)N Amb22587050 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 CC(=O)CC(C)N Amb2583230 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.2 CC(=O)CC(C)O Amb17593091 [0,0,0,0,0,0|1,0,1]=2 38 B6R0.2 CC(=O)CC(C)S Amb24600676 [0,0,0,0,0,0|1,1,1]=3 39 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.2 CC(=O)CC(F)F Amb24669174 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.2 CC(=O)CN(C)C Amb9217324 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [0,0,0,0,0,0|1,0,1]=2 46 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,0,0,0,0,0|1,0,0]=1 47 B6R0.2 CC(=O)C[S+](C)Cl Amb27835653 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.2 CC(=O)NC(=N)N Amb2236591 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.2 CC(=O)NC(=N)N Amb22754056 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.2 CC(=O)NC(=S)S Amb27464461 [0,0,0,0,0,0|1,2,0]=3 51 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.2 CC(=O)NC(C)=S Amb28246616 [0,0,0,0,0,0|2,1,0]=3 53 B6R0.2 CC(=O)NC(C)Br Amb27444682 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.2 CC(=O)NC(C)C Amb3366263 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.2 CC(=O)NC(C)N Amb27468729 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.2 CC(=O)NC(N)=O Amb6891959 [0,0,0,0,0,0|2,0,0]=2 57 B6R0.2 CC(=O)NC(N)=S Amb10068733 [0,0,0,0,0,0|2,1,0]=3 58 B6R0.2 CC(=O)NN(C)C Amb25064806 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.2 CC(=O)OC(C)Br Amb19958925 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.2 CC(=O)OC(C)C Amb3940484 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.2 CC(=O)OC(C)Cl Amb24058273 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.2 CC(=O)OC(C)N Amb27184949 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.2 CC(=O)OC(C)O Amb27457187 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.2 CC(=O)OC(Cl)Cl Amb28382549 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.2 CC(=O)OC(N)=O Amb28283882 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.2 CC(=O)O[N+](=O)[O-] Amb27188405 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.2 CC(=O)O[SiH](C)C Amb2687439 [0,0,0,0,0,0|3,1,0]=4 69 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [0,0,0,0,0,0|2,0,0]=2 70 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,0,0,0,0,0|2,0,0]=2 71 B6R0.2 CC(=O)SC(N)=S Amb27235614 [0,0,0,0,0,0|2,1,0]=3 72 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,0,0,0,0,0|1,0,1]=2 73 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,0,0,0,0,0|1,0,1]=2 74 B6R0.2 CC(=O)\C=C(/C)N Amb1149988 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.2 CC(=O)\C=C(/C)S Amb27658727 [0,0,0,0,0,0|1,1,1]=3 76 B6R0.2 CC(=O)\C=C(\C)Br Amb27838200 [0,0,0,0,0,0|2,0,1]=3 77 B6R0.2 CC(=O)\C=C(\C)Cl Amb27196730 [0,0,0,0,0,0|2,0,1]=3 78 B6R0.2 CC(=O)\C=C(\C)N Amb2720902 [0,0,0,0,0,0|2,0,1]=3 79 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,0,0,0,0,0|1,0,1]=2 80 B6R0.2 CC(=O)\C=C(\C)S Amb26910658 [0,0,0,0,0,0|1,1,1]=3 81 B6R0.2 CC(=O)\C=C(\C)[O-] Amb19959976 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.2 CC(=O)\C=C(\C)[O-] Amb20239443 [0,0,0,0,0,0|1,0,2]=3 83 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22045408 [0,0,0,0,0,0|1,0,2]=3 84 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053071 [0,0,0,0,0,0|1,0,2]=3 85 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053499 [0,0,0,0,0,0|1,0,2]=3 86 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053500 [0,0,0,0,0,0|1,0,2]=3 87 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053502 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053503 [0,0,0,0,0,0|1,0,2]=3 89 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053694 [0,0,0,0,0,0|1,0,2]=3 90 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053940 [0,0,0,0,0,0|1,0,2]=3 91 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22054020 [0,0,0,0,0,0|1,0,2]=3 92 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22466635 [0,0,0,0,0,0|1,0,2]=3 93 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22729908 [0,0,0,0,0,0|1,0,2]=3 94 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22730050 [0,0,0,0,0,0|1,0,2]=3 95 B6R0.2 CC(=O)\C=C(\C)[O-] Amb34915499 [0,0,0,0,0,0|1,0,2]=3 96 B6R0.2 CC(=O)\N=C(/C)N Amb27796085 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,0,0,0,0,0|0,1,0]=1 98 B6R0.2 CC(=S)\N=C(/C)N Amb27196670 [0,0,0,0,0,0|3,1,0]=4 99 B6R0.2 CC(Br)CC(=O)O Amb8517108 [0,0,0,0,0,0|1,0,1]=2 100 B6R0.2 CC(C)=CB(O)O Amb2455988 [0,0,0,0,0,0|2,0,2]=4 101 B6R0.2 CC(C)=CC(=O)Cl Amb2782315 [0,0,0,0,0,0|2,0,1]=3 102 B6R0.2 CC(C)=CC(=O)O Amb1485519 [0,0,0,0,0,0|1,0,1]=2 103 B6R0.2 CC(C)=CC(C)O Amb22229846 [0,0,0,0,0,0|2,0,2]=4 104 B6R0.2 CC(C)=CC(N)=O Amb10561758 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.2 CC(C)=CC(N)=S Amb18108367 [0,0,0,0,0,0|2,1,1]=4 106 B6R0.2 CC(C)=C[N+](=O)[O-] Amb22167019 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.2 CC(C)=NS(C)=O Amb35685212 [0,0,0,0,0,0|4,0,0]=4 108 B6R0.2 CC(C)CB(O)O Amb2447316 [0,0,0,0,0,0|2,0,2]=4 109 B6R0.2 CC(C)CC(=N)N Amb10066934 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.2 CC(C)CC(=N)N Amb2696279 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.2 CC(C)CC(=O)Br Amb26486664 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.2 CC(C)CC(=O)Cl Amb2792902 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.2 CC(C)CC(=O)F Amb32667643 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,0,0,0,0,0|1,0,1]=2 115 B6R0.2 CC(C)CC(C)O Amb6608920 [0,0,0,0,0,0|2,0,2]=4 116 B6R0.2 CC(C)CC(N)=O Amb2722931 [0,0,0,0,0,0|2,0,1]=3 117 B6R0.2 CC(C)CC(N)=S Amb6246355 [0,0,0,0,0,0|2,1,1]=4 118 B6R0.2 CC(C)CC(N)O Amb28383510 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.2 CC(C)CC(O)O Amb27207854 [0,0,0,0,0,0|1,0,3]=4 120 B6R0.2 CC(C)CN(C)O Amb33360311 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.2 CC(C)CS(=O)Cl Amb26409520 [0,0,0,0,0,0|3,0,1]=4 122 B6R0.2 CC(C)CS(=O)[O-] Amb19930010 [0,0,0,0,0,0|2,0,2]=4 123 B6R0.2 CC(C)CS(C)=O Amb27972160 [0,0,0,0,0,0|3,0,1]=4 124 B6R0.2 CC(C)CS(N)=O Amb24527860 [0,0,0,0,0,0|3,0,1]=4 125 B6R0.2 CC(C)C[C@@H](C)O Amb8517525 [0,0,0,0,0,0|2,0,2]=4 126 B6R0.2 CC(C)C[C@H](C)O Amb8517526 [0,0,0,0,0,0|2,0,2]=4 127 B6R0.2 CC(C)C[N+](=O)[O-] Amb17672613 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.2 CC(C)NC(=O)Cl Amb27780560 [0,0,0,0,0,0|3,0,1]=4 129 B6R0.2 CC(C)NC(=O)S Amb27817487 [0,0,0,0,0,0|2,1,1]=4 130 B6R0.2 CC(C)NC(N)=O Amb1104587 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.2 CC(C)OC(=O)Cl Amb3941687 [0,0,0,0,0,0|3,0,1]=4 132 B6R0.2 CC(C)OC(N)=O Amb4017684 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.2 CC(C)SC(=O)Cl Amb22352802 [0,0,0,0,0,0|3,0,1]=4 134 B6R0.2 CC(Cl)CC(=O)Cl Amb28343061 [0,0,0,0,0,0|2,0,1]=3 135 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [0,0,0,0,0,0|1,0,1]=2 136 B6R0.2 CC(Cl)NC(N)=O Amb28130611 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.2 CC(Cl)OC(=O)Cl Amb6608999 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.2 CC(I)CC(=O)O Amb28398380 [0,0,0,0,0,0|1,0,1]=2 139 B6R0.2 CC(N)CC(=O)O Amb8379759 [0,0,0,0,0,0|1,0,1]=2 140 B6R0.2 CC(N)CC(=O)S Amb27413857 [0,0,0,0,0,0|1,1,1]=3 141 B6R0.2 CC(N)CC(C)O Amb18640217 [0,0,0,0,0,0|2,0,2]=4 142 B6R0.2 CC(N)CC(N)=O Amb18281237 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.2 CC(N)CC(N)=O Amb33532770 [0,0,0,0,0,0|2,0,1]=3 144 B6R0.2 CC(N)CS(C)=O Amb33546327 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.2 CC(O)CC(=O)O Amb8513187 [0,0,0,0,0,0|0,0,2]=2 146 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [0,0,0,0,0,0|0,0,3]=3 147 B6R0.2 CC(O)CC(C)F Amb28065744 [0,0,0,0,0,0|2,0,2]=4 148 B6R0.2 CC(O)CC(C)O Amb10068523 [0,0,0,0,0,0|1,0,3]=4 149 B6R0.2 CC(O)CC(C)S Amb24122653 [0,0,0,0,0,0|1,1,2]=4 150 B6R0.2 CC(O)CC(N)=O Amb26394320 [0,0,0,0,0,0|1,0,2]=3 151 B6R0.2 CC(O)CC(N)=S Amb24479794 [0,0,0,0,0,0|1,1,2]=4 152 B6R0.2 CC(O)CN(C)C Amb8513140 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.2 CC(O)CN(C)N Amb28050102 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.2 CC(O)CS(C)=O Amb28137235 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.2 CC(O)C[N+](=O)[O-] Amb9678341 [0,0,0,0,0,0|1,0,3]=4 156 B6R0.2 CC(O)C[NH+](C)C Amb33934480 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.2 CC(S)CC(=O)O Amb33538201 [0,0,0,0,0,0|0,1,1]=2 158 B6R0.2 CN(C)CC(=N)N Amb10610521 [0,0,0,0,0,0|4,0,0]=4 159 B6R0.2 CN(C)CC(=N)N Amb10610536 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.2 CN(C)CC(=N)N Amb4297035 [0,0,0,0,0,0|4,0,0]=4 161 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [0,0,0,0,0,0|3,0,0]=3 162 B6R0.2 CN(C)CC(=O)Cl Amb3939582 [0,0,0,0,0,0|3,0,0]=3 163 B6R0.2 CN(C)CC(=O)O Amb3319051 [0,0,0,0,0,0|2,0,0]=2 164 B6R0.2 CN(C)CC(=O)O Amb3940366 [0,0,0,0,0,0|2,0,0]=2 165 B6R0.2 CN(C)CC(N)=O Amb17231806 [0,0,0,0,0,0|3,0,0]=3 166 B6R0.2 CN(C)CC(N)=O Amb33321491 [0,0,0,0,0,0|3,0,0]=3 167 B6R0.2 CN(C)CC(N)=S Amb16232219 [0,0,0,0,0,0|3,1,0]=4 168 B6R0.2 CN(C)CC(N)=S Amb19373088 [0,0,0,0,0,0|3,1,0]=4 169 B6R0.2 CN(C)CC(N)=S Amb21912622 [0,0,0,0,0,0|3,1,0]=4 170 B6R0.2 CN(C)CC(N)=S Amb534722 [0,0,0,0,0,0|3,1,0]=4 171 B6R0.2 CN(C)NC(=O)Cl Amb35637051 [0,0,0,0,0,0|4,0,0]=4 172 B6R0.2 CN(C)NC(N)=O Amb24325231 [0,0,0,0,0,0|4,0,0]=4 173 B6R0.2 CN(N)CC(=O)O Amb23592296 [0,0,0,0,0,0|2,0,0]=2 174 B6R0.2 CN(O)CC(=O)O Amb29838290 [0,0,0,0,0,0|1,0,1]=2 175 B6R0.2 CP(O)OC(N)=O Amb27436991 [0,0,0,0,0,0|3,0,1]=4 176 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,0,0,0,0|2,0,0]=2 177 B6R0.2 CS(C)=NC(N)=O Amb27837994 [0,0,0,0,0,0|4,0,0]=4 178 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [0,0,0,0,0,0|1,0,1]=2 179 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [0,0,0,0,0,0|1,0,1]=2 180 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [0,0,0,0,0,0|1,0,1]=2 181 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [0,0,0,0,0,0|1,0,1]=2 182 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [0,0,0,0,0,0|0,0,2]=2 183 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [0,0,0,0,0,0|0,0,3]=3 184 B6R0.2 C[C@@H](O)CN(C)C Amb22746407 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.2 C[C@@H](O)CS(C)=O Amb27457390 [0,0,0,0,0,0|2,0,1]=3 186 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [0,0,0,0,0,0|1,0,1]=2 187 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [0,0,0,0,0,0|1,0,1]=2 188 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [0,0,0,0,0,0|1,0,1]=2 189 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [0,0,0,0,0,0|2,0,1]=3 190 B6R0.2 C[C@H](N)C[C@H](C)O Amb27593805 [0,0,0,0,0,0|2,0,2]=4 191 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [0,0,0,0,0,0|0,0,2]=2 192 B6R0.2 C[C@H](O)C[C@@H](C)F Amb27486566 [0,0,0,0,0,0|2,0,2]=4 193 B6R0.2 C[C@H](O)C[C@@H](C)O Amb27273041 [0,0,0,0,0,0|1,0,3]=4 194 B6R0.2 C[C@H](O)C[C@H](C)I Amb28042894 [0,0,0,0,0,0|2,0,2]=4 195 B6R0.2 C[C@H](O)C[C@H](C)O Amb20242416 [0,0,0,0,0,0|1,0,3]=4 196 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [0,0,0,0,0,0|3,0,0]=3 197 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [0,0,0,0,0,0|2,0,0]=2 198 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [0,0,0,0,0,0|2,0,0]=2 199 B6R0.2 C[S+](C)CC(=O)[O-] Amb26065720 [0,0,0,0,0,0|2,0,1]=3 200 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [0,0,0,0,0,0|1,0,1]=2 201 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [0,0,0,0,0,0|1,0,1]=2 202 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [0,0,0,0,0,0|1,0,1]=2 203 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [0,0,0,0,0,0|1,0,1]=2 204 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [0,0,0,0,0,0|1,0,1]=2 205 B6R0.2 C\C(I)=C\C(N)=O Amb28058366 [0,0,0,0,0,0|2,0,1]=3 206 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [0,0,0,0,0,0|1,0,1]=2 207 B6R0.2 C\C(N)=C/C(N)=O Amb26600164 [0,0,0,0,0,0|2,0,1]=3 208 B6R0.2 C\C(N)=C/[N+](=O)[O-] Amb32416117 [0,0,0,0,0,0|2,0,2]=4 209 B6R0.2 C\C(N)=C\C(N)=S Amb19929130 [0,0,0,0,0,0|2,1,1]=4 210 B6R0.2 C\C(N)=C\[N+](=O)[O-] Amb28130569 [0,0,0,0,0,0|2,0,2]=4 211 B6R0.2 C\C(S)=C\C(N)=O Amb27596108 [0,0,0,0,0,0|1,1,1]=3 212 B6R0.2 C\C([O-])=C\[N+](=O)[O-] Amb22549288 [0,0,0,0,0,0|1,0,3]=4 213 B6R0.2 N=C(N)CC(=N)N Amb4008184 [0,0,0,0,0,0|4,0,0]=4 214 B6R0.2 N=C(N)CC(N)=O Amb1981332 [0,0,0,0,0,0|3,0,0]=3 215 B6R0.2 N=C(N)CC(N)=O Amb5719691 [0,0,0,0,0,0|3,0,0]=3 216 B6R0.2 N=C(N)C[N+](=O)[O-] Amb26989320 [0,0,0,0,0,0|3,0,1]=4 217 B6R0.2 N=C(N)NC(N)=O Amb33551043 [0,0,0,0,0,0|4,0,0]=4 218 B6R0.2 N=C(N)NC(N)=O Amb6366465 [0,0,0,0,0,0|4,0,0]=4 219 B6R0.2 N=C([NH3+])CC(N)=O Amb2439350 [0,0,0,0,0,0|3,0,0]=3 220 B6R0.2 NC(=O)CC(=O)O Amb4034884 [0,0,0,0,0,0|1,0,0]=1 221 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [0,0,0,0,0,0|1,0,1]=2 222 B6R0.2 NC(=O)CC(F)F Amb28401488 [0,0,0,0,0,0|3,0,1]=4 223 B6R0.2 NC(=O)CC(N)=O Amb1971463 [0,0,0,0,0,0|2,0,0]=2 224 B6R0.2 NC(=O)CC(N)=S Amb1155422 [0,0,0,0,0,0|2,1,0]=3 225 B6R0.2 NC(=O)C[N+](=O)[O-] Amb1101925 [0,0,0,0,0,0|2,0,1]=3 226 B6R0.2 NC(=O)NC(N)=O Amb6346179 [0,0,0,0,0,0|3,0,0]=3 227 B6R0.2 NC(=O)N[N+](=O)[O-] Amb17672280 [0,0,0,0,0,0|3,0,1]=4 228 B6R0.2 NC(=S)CC(=O)O Amb17465742 [0,0,0,0,0,0|1,1,0]=2 229 B6R0.2 NC(=S)CC(N)=S Amb1981072 [0,0,0,0,0,0|2,2,0]=4 230 B6R0.2 NC(N)=CC(=O)O Amb27618962 [0,0,0,0,0,0|2,0,1]=3 231 B6R0.2 NC(S)CC(=O)O Amb27391244 [0,0,0,0,0,0|1,1,1]=3 232 B6R0.2 NS(=O)CC([O-])=S Amb26641164 [0,0,0,0,0,0|2,1,1]=4 233 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [0,0,0,0,0,0|2,0,0]=2 234 B6R0.2 O=C(O)C=C(Br)Br Amb24435008 [0,0,0,0,0,0|2,0,1]=3 235 B6R0.2 O=C(O)C=C(Cl)Cl Amb33544334 [0,0,0,0,0,0|2,0,1]=3 236 B6R0.2 O=C(O)C=C(F)F Amb24116995 [0,0,0,0,0,0|2,0,1]=3 237 B6R0.2 O=C(O)CB(O)O Amb24053058 [0,0,0,0,0,0|2,0,1]=3 238 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [0,0,0,0,0,0|1,0,0]=1 239 B6R0.2 O=C(O)CC(=O)O Amb2689065 [0,0,0,0,0,0|1,0,0]=1 240 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [0,0,0,0,0,0|2,0,1]=3 241 B6R0.2 O=C(O)CC(F)F Amb22001551 [0,0,0,0,0,0|2,0,1]=3 242 B6R0.2 O=C(O)CS(=O)O Amb27788997 [0,0,0,0,0,0|2,0,0]=2 243 B6R0.2 O=C(O)\C=C(\Cl)Br Amb27955839 [0,0,0,0,0,0|2,0,1]=3 244 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [0,0,0,0,0,0|1,0,1]=2 245 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [0,0,0,0,0,0|1,0,1]=2 246 B6R0.2 O=C([O-])CC(F)F Amb24117960 [0,0,0,0,0,0|2,0,2]=4 247 B6R0.2 O=C([O-])C[N+](=O)[O-] Amb28990930 [0,0,0,0,0,0|2,0,1]=3 248 B6R0.2 O=S(O)CC(F)F Amb30035176 [0,0,0,0,0,0|3,0,1]=4 249 B6R0.2 OC(=S)CC(F)F Amb34179023 [0,0,0,0,0,0|2,1,1]=4 250 B5R0.1 BC(=O)NCC Amb27430059 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.1 C#CCC(=C)C Amb33200277 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.1 C#CCC(=O)O Amb33532662 [1,0,0,0,0,0|0,0,2]=3 253 B5R0.1 C=C(Br)CCO Amb4014497 [1,0,0,0,0,0|1,0,2]=4 254 B5R0.1 C=C(Br)CNC Amb18950247 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.1 C=C(Br)COC Amb25361496 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.1 C=C(Br)CSC Amb28313326 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.1 C=C(C)CC#N Amb17712309 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.1 C=C(C)CC=O Amb28202583 [1,0,0,0,0,0|1,0,0]=2 259 B5R0.1 C=C(C)CCBr Amb21857866 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 C=C(C)CCC Amb8513259 [1,0,0,0,0,0|2,0,1]=4 261 B5R0.1 C=C(C)CCCl Amb27810807 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.1 C=C(C)CCI Amb26649317 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.1 C=C(C)CCN Amb17673481 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.1 C=C(C)CCN Amb33543001 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 C=C(C)CCO Amb34916534 [1,0,0,0,0,0|1,0,1]=3 266 B5R0.1 C=C(C)CCO Amb8513522 [1,0,0,0,0,0|1,0,1]=3 267 B5R0.1 C=C(C)CCS Amb25887673 [1,0,0,0,0,0|1,1,1]=4 268 B5R0.1 C=C(C)CNC Amb30625043 [1,0,0,0,0,0|3,0,0]=4 269 B5R0.1 C=C(C)CNC Amb3941317 [1,0,0,0,0,0|3,0,0]=4 270 B5R0.1 C=C(C)CNN Amb2792852 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.1 C=C(C)CNO Amb33199864 [1,0,0,0,0,0|2,0,0]=3 272 B5R0.1 C=C(C)COC Amb26589016 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.1 C=C(C)CON Amb18560218 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.1 C=C(C)CON Amb30634348 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.1 C=C(C)CSC Amb20671946 [1,0,0,0,0,0|3,0,0]=4 276 B5R0.1 C=C(C)C[Mg]Cl Amb22338380 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.1 C=C(F)CNC Amb28194424 [1,0,0,0,0,0|3,0,0]=4 278 B5R0.1 C=CC=C(C)C Amb22229813 [1,0,0,0,0,0|2,0,1]=4 279 B5R0.1 C=CCB(O)O Amb20240823 [1,0,0,0,0,0|1,0,2]=4 280 B5R0.1 C=CCC(=C)C Amb22347764 [1,0,0,0,0,0|2,0,0]=3 281 B5R0.1 C=CCC(=N)N Amb2695181 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 C=CCC(=O)Cl Amb33543701 [1,0,0,0,0,0|1,0,1]=3 283 B5R0.1 C=CCC(=O)O Amb3940098 [1,0,0,0,0,0|0,0,1]=2 284 B5R0.1 C=CCC(C)=O Amb8396482 [1,0,0,0,0,0|1,0,0]=2 285 B5R0.1 C=CCC(C)Br Amb26870150 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.1 C=CCC(C)C Amb8513260 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 C=CCC(C)Cl Amb26588784 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.1 C=CCC(C)N Amb17673480 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.1 C=CCC(C)N Amb19515336 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.1 C=CCC(C)O Amb33539328 [1,0,0,0,0,0|1,0,2]=4 291 B5R0.1 C=CCC(N)=O Amb17610156 [1,0,0,0,0,0|1,0,1]=3 292 B5R0.1 C=CCS(=O)O Amb33534190 [1,0,0,0,0,0|1,0,1]=3 293 B5R0.1 C=CCS(=O)[O-] Amb25810896 [1,0,0,0,0,0|1,0,2]=4 294 B5R0.1 C=CCS(=O)[O-] Amb33527151 [1,0,0,0,0,0|1,0,2]=4 295 B5R0.1 C=CC[C@@H](C)O Amb22225370 [1,0,0,0,0,0|1,0,2]=4 296 B5R0.1 C=CC[C@H](C)N Amb28315904 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.1 C=CC[C@H](C)O Amb22226758 [1,0,0,0,0,0|1,0,2]=4 298 B5R0.1 C=CC[N+](=O)[O-] Amb24625461 [1,0,0,0,0,0|1,0,2]=4 299 B5R0.1 C=CC[PH](=O)O Amb8391287 [1,0,0,0,0,0|1,0,1]=3 300 B5R0.1 C=CNC(C)=O Amb24323579 [1,0,0,0,0,0|2,0,0]=3 301 B5R0.1 C=CNC(N)=O Amb25082241 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.1 C=COC(=O)Cl Amb8514993 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 C=COC(C)=O Amb8513382 [1,0,0,0,0,0|2,0,0]=3 304 B5R0.1 C=NCC(N)=O Amb26548445 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 C=NNC(C)=O Amb29626225 [1,0,0,0,0,0|3,0,0]=4 306 B5R0.1 CC#CC(=O)Cl Amb27778056 [1,0,0,0,0,0|1,0,2]=4 307 B5R0.1 CC#CC(=O)O Amb2685714 [1,0,0,0,0,0|0,0,2]=3 308 B5R0.1 CC#CC(C)=O Amb17593016 [1,0,0,0,0,0|1,0,2]=4 309 B5R0.1 CC#CC(N)=O Amb10552409 [1,0,0,0,0,0|1,0,2]=4 310 B5R0.1 CC(=N)CC#N Amb17593017 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.1 CC(=O)C=C=O Amb10603952 [1,0,0,0,0,0|0,0,2]=3 312 B5R0.1 CC(=O)C=[N+]=[N-] Amb27808588 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.1 CC(=O)CC#N Amb1102132 [1,0,0,0,0,0|1,0,1]=3 314 B5R0.1 CC(=O)CC=N Amb28285098 [1,0,0,0,0,0|1,0,0]=2 315 B5R0.1 CC(=O)CCBr Amb24078246 [1,0,0,0,0,0|1,0,1]=3 316 B5R0.1 CC(=O)CCCl Amb2720823 [1,0,0,0,0,0|1,0,1]=3 317 B5R0.1 CC(=O)CCF Amb26427773 [1,0,0,0,0,0|1,0,1]=3 318 B5R0.1 CC(=O)CCN Amb18632933 [1,0,0,0,0,0|1,0,1]=3 319 B5R0.1 CC(=O)CCN Amb33544540 [1,0,0,0,0,0|1,0,1]=3 320 B5R0.1 CC(=O)CCO Amb836357 [1,0,0,0,0,0|0,0,1]=2 321 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [1,0,0,0,0,0|1,0,1]=3 322 B5R0.1 CC(=O)CNO Amb28049954 [1,0,0,0,0,0|1,0,0]=2 323 B5R0.1 CC(=O)CSN Amb28430346 [1,0,0,0,0,0|2,0,0]=3 324 B5R0.1 CC(=O)N=C=O Amb17231800 [1,0,0,0,0,0|1,0,1]=3 325 B5R0.1 CC(=O)N=C=S Amb9249840 [1,0,0,0,0,0|1,1,1]=4 326 B5R0.1 CC(=O)N=S=O Amb9786964 [1,0,0,0,0,0|2,0,0]=3 327 B5R0.1 CC(=O)N=[N+]=[N-] Amb27837645 [1,0,0,0,0,0|3,0,0]=4 328 B5R0.1 CC(=O)NC=O Amb27850191 [1,0,0,0,0,0|1,0,0]=2 329 B5R0.1 CC(=O)NCO Amb8516057 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,0,0,0,0|1,0,0]=2 331 B5R0.1 CC(=O)OCBr Amb3941481 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.1 CC(=O)OCCl Amb33542858 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.1 CC(=O)OCI Amb25226851 [1,0,0,0,0,0|2,0,1]=4 334 B5R0.1 CC(=O)SCBr Amb25349900 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.1 CC(=O)SCI Amb33339258 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.1 CC(=O)SCO Amb27255261 [1,0,0,0,0,0|1,0,1]=3 337 B5R0.1 CC(=O)[CH-]C#N Amb26476728 [1,0,0,0,0,0|1,0,2]=4 338 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,0,0,0,0|1,0,1]=3 339 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [1,0,0,0,0,0|0,0,2]=3 340 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.1 CC(=O)\C=C\N Amb8395283 [1,0,0,0,0,0|1,0,1]=3 342 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [1,0,0,0,0,0|0,0,2]=3 343 B5R0.1 CC(=O)\C=N/O Amb26474151 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.1 CC(=O)\C=N\O Amb33719017 [1,0,0,0,0,0|1,0,1]=3 345 B5R0.1 CC(=O)\C=N\O Amb8395285 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.1 CC(C)=C=CCl Amb27464028 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.1 CC(C)=C=CI Amb27592215 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.1 CC(C)=CC=O Amb8385061 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.1 CC(C)=CCO Amb4605830 [1,0,0,0,0,0|1,0,2]=4 350 B5R0.1 CC(C)CC=O Amb3939851 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.1 CC(C)CCO Amb4605831 [1,0,0,0,0,0|1,0,2]=4 352 B5R0.1 CC(C)CNO Amb25887512 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.1 CC(C)NC=O Amb4017634 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.1 CC(C)OC=O Amb9787311 [1,0,0,0,0,0|2,0,1]=4 355 B5R0.1 CC(Cl)CCO Amb27625144 [1,0,0,0,0,0|1,0,2]=4 356 B5R0.1 CC(F)CC=O Amb28051612 [1,0,0,0,0,0|1,0,1]=3 357 B5R0.1 CC(F)CCO Amb21951900 [1,0,0,0,0,0|1,0,2]=4 358 B5R0.1 CC(N)CCO Amb2697504 [1,0,0,0,0,0|1,0,2]=4 359 B5R0.1 CC(N)CCO Amb32666060 [1,0,0,0,0,0|1,0,2]=4 360 B5R0.1 CC(O)CC=O Amb4036424 [1,0,0,0,0,0|0,0,2]=3 361 B5R0.1 CC(O)CCO Amb6608662 [1,0,0,0,0,0|0,0,3]=4 362 B5R0.1 CC(O)NC=O Amb28049622 [1,0,0,0,0,0|1,0,2]=4 363 B5R0.1 CC(S)CCO Amb19148316 [1,0,0,0,0,0|0,1,2]=4 364 B5R0.1 CCCB(O)O Amb2447105 [1,0,0,0,0,0|1,0,2]=4 365 B5R0.1 CCCC(=N)N Amb10610381 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.1 CCCC(=N)N Amb2695914 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.1 CCCC(=O)Br Amb22734023 [1,0,0,0,0,0|1,0,1]=3 368 B5R0.1 CCCC(=O)Cl Amb2792903 [1,0,0,0,0,0|1,0,1]=3 369 B5R0.1 CCCC(=O)O Amb3939012 [1,0,0,0,0,0|0,0,1]=2 370 B5R0.1 CCCC(=O)[O-] Amb8514901 [1,0,0,0,0,0|0,0,2]=3 371 B5R0.1 CCCC(=S)Cl Amb24626931 [1,0,0,0,0,0|1,1,1]=4 372 B5R0.1 CCCC(C)=O Amb6608910 [1,0,0,0,0,0|1,0,1]=3 373 B5R0.1 CCCC(C)O Amb4605839 [1,0,0,0,0,0|1,0,2]=4 374 B5R0.1 CCCC(N)=O Amb3886524 [1,0,0,0,0,0|1,0,1]=3 375 B5R0.1 CCCC(N)=S Amb6245403 [1,0,0,0,0,0|1,1,1]=4 376 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.1 CCCC(O)=S Amb22229383 [1,0,0,0,0,0|0,1,1]=3 378 B5R0.1 CCCC(O)Cl Amb22552567 [1,0,0,0,0,0|1,0,2]=4 379 B5R0.1 CCCC(O)O Amb26364594 [1,0,0,0,0,0|0,0,3]=4 380 B5R0.1 CCCN(C)O Amb25024622 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 CCCS(=O)Cl Amb25025566 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 CCCS(=O)[O-] Amb19929119 [1,0,0,0,0,0|1,0,2]=4 383 B5R0.1 CCCS(N)=O Amb24733579 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 CCC[C@@H](C)O Amb8628178 [1,0,0,0,0,0|1,0,2]=4 385 B5R0.1 CCC[C@@H](N)O Amb28074861 [1,0,0,0,0,0|1,0,2]=4 386 B5R0.1 CCC[C@H](C)O Amb8389338 [1,0,0,0,0,0|1,0,2]=4 387 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [1,0,0,0,0,0|1,0,2]=4 388 B5R0.1 CCNC(=O)Cl Amb25791793 [1,0,0,0,0,0|2,0,1]=4 389 B5R0.1 CCNC(C)=O Amb2780415 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.1 CCNC(N)=O Amb6608844 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 CCOC(=O)Cl Amb2793045 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 CCOC(=O)O Amb8393208 [1,0,0,0,0,0|1,0,1]=3 393 B5R0.1 CCOC(C)=O Amb3940488 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.1 CCOC(N)=O Amb6608672 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.1 CCO[PH](=O)O Amb22360741 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 CCO[Si](=O)O Amb26569259 [1,0,0,0,0,0|1,1,1]=4 397 B5R0.1 CCSC(=O)Cl Amb8516064 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 CN(Br)CCO Amb27405311 [1,0,0,0,0,0|2,0,1]=4 399 B5R0.1 CN(C)CC=O Amb22002191 [1,0,0,0,0,0|2,0,0]=3 400 B5R0.1 CN(C)CC=O Amb22491245 [1,0,0,0,0,0|2,0,0]=3 401 B5R0.1 CN(C)CCO Amb2793033 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.1 CN(C)NC=O Amb1930732 [1,0,0,0,0,0|3,0,0]=4 403 B5R0.1 CN(Cl)CCO Amb27457982 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.1 CN(N)CCO Amb28400197 [1,0,0,0,0,0|2,0,1]=4 405 B5R0.1 CNCC(=O)O Amb6298808 [1,0,0,0,0,0|1,0,0]=2 406 B5R0.1 CNCC(=O)O Amb6599996 [1,0,0,0,0,0|1,0,0]=2 407 B5R0.1 CNCC(=O)[O-] Amb20246714 [1,0,0,0,0,0|1,0,1]=3 408 B5R0.1 CNCC(C)=O Amb17621974 [1,0,0,0,0,0|2,0,0]=3 409 B5R0.1 CNCC(C)=O Amb21959975 [1,0,0,0,0,0|2,0,0]=3 410 B5R0.1 CNCC(C)O Amb32666238 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 CNCC(C)O Amb9247471 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.1 CNCC(N)=O Amb19134307 [1,0,0,0,0,0|2,0,0]=3 413 B5R0.1 CNCC(N)=O Amb3940074 [1,0,0,0,0,0|2,0,0]=3 414 B5R0.1 CNCC(N)=O Amb9151172 [1,0,0,0,0,0|2,0,0]=3 415 B5R0.1 CNC[C@@H](C)O Amb26972484 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.1 CNC[C@@H](C)O Amb32652763 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.1 CNC[C@H](C)O Amb27596614 [1,0,0,0,0,0|2,0,1]=4 418 B5R0.1 CNC[C@H](C)O Amb32652861 [1,0,0,0,0,0|2,0,1]=4 419 B5R0.1 CNOC(N)=O Amb28341734 [1,0,0,0,0,0|3,0,0]=4 420 B5R0.1 COCB(O)O Amb28401589 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.1 COCC(=N)N Amb2696281 [1,0,0,0,0,0|3,0,0]=4 422 B5R0.1 COCC(=N)N Amb33551686 [1,0,0,0,0,0|3,0,0]=4 423 B5R0.1 COCC(=O)Cl Amb3939326 [1,0,0,0,0,0|2,0,0]=3 424 B5R0.1 COCC(=O)O Amb3939876 [1,0,0,0,0,0|1,0,0]=2 425 B5R0.1 COCC(C)=O Amb8513767 [1,0,0,0,0,0|2,0,0]=3 426 B5R0.1 COCC(C)O Amb33544397 [1,0,0,0,0,0|2,0,1]=4 427 B5R0.1 COCC(N)=O Amb1153776 [1,0,0,0,0,0|2,0,0]=3 428 B5R0.1 COCC(N)=S Amb6268129 [1,0,0,0,0,0|2,1,0]=4 429 B5R0.1 COC[C@@H](C)O Amb8383545 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.1 COC[C@H](C)O Amb8515770 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.1 CONC(C)=O Amb25046114 [1,0,0,0,0,0|3,0,0]=4 432 B5R0.1 CONC(N)=O Amb2417193 [1,0,0,0,0,0|3,0,0]=4 433 B5R0.1 CS(=O)CC#N Amb8471068 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.1 CS(=O)CCBr Amb28049280 [1,0,0,0,0,0|2,0,1]=4 435 B5R0.1 CS(=O)CCCl Amb24116979 [1,0,0,0,0,0|2,0,1]=4 436 B5R0.1 CS(=O)CCI Amb27752977 [1,0,0,0,0,0|2,0,1]=4 437 B5R0.1 CS(=O)CCN Amb2786559 [1,0,0,0,0,0|2,0,1]=4 438 B5R0.1 CS(=O)CCN Amb33543191 [1,0,0,0,0,0|2,0,1]=4 439 B5R0.1 CS(=O)CCO Amb28075364 [1,0,0,0,0,0|1,0,1]=3 440 B5R0.1 CSCC(=N)N Amb2696282 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.1 CSCC(=N)N Amb8630183 [1,0,0,0,0,0|3,0,0]=4 442 B5R0.1 CSCC(=O)Cl Amb24528357 [1,0,0,0,0,0|2,0,0]=3 443 B5R0.1 CSCC(=O)O Amb1152425 [1,0,0,0,0,0|1,0,0]=2 444 B5R0.1 CSCC(C)=O Amb20621731 [1,0,0,0,0,0|2,0,0]=3 445 B5R0.1 CSCC(C)O Amb20622311 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.1 CSCC(N)=O Amb19515874 [1,0,0,0,0,0|2,0,0]=3 447 B5R0.1 CSCC(N)=S Amb17503394 [1,0,0,0,0,0|2,1,0]=4 448 B5R0.1 CSCS(C)=O Amb22045140 [1,0,0,0,0,0|3,0,0]=4 449 B5R0.1 CSC[C@@H](C)O Amb24408899 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.1 CSC[C@H](C)O Amb24699036 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.1 CSNC(C)=O Amb22500292 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.1 C[C@@H](N)CCO Amb19515999 [1,0,0,0,0,0|1,0,2]=4 453 B5R0.1 C[C@@H](N)CCO Amb22746127 [1,0,0,0,0,0|1,0,2]=4 454 B5R0.1 C[C@@H](O)CCO Amb4166294 [1,0,0,0,0,0|0,0,3]=4 455 B5R0.1 C[C@@H](S)CCO Amb27255216 [1,0,0,0,0,0|0,1,2]=4 456 B5R0.1 C[C@H](F)CCO Amb28428651 [1,0,0,0,0,0|1,0,2]=4 457 B5R0.1 C[C@H](N)CCO Amb19515998 [1,0,0,0,0,0|1,0,2]=4 458 B5R0.1 C[C@H](N)CCO Amb24055217 [1,0,0,0,0,0|1,0,2]=4 459 B5R0.1 C[C@H](O)CC=O Amb27595676 [1,0,0,0,0,0|0,0,2]=3 460 B5R0.1 C[C@H](O)CCO Amb4166300 [1,0,0,0,0,0|0,0,3]=4 461 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [1,0,0,0,0,0|2,0,0]=3 462 B5R0.1 C\C(Br)=C/C=O Amb27202112 [1,0,0,0,0,0|1,0,1]=3 463 B5R0.1 C\C(Br)=C/CO Amb30621790 [1,0,0,0,0,0|1,0,2]=4 464 B5R0.1 C\C(Br)=C\C=O Amb27201671 [1,0,0,0,0,0|1,0,1]=3 465 B5R0.1 C\C(Cl)=C\CO Amb25663061 [1,0,0,0,0,0|1,0,2]=4 466 B5R0.1 C\C(I)=C/CO Amb17616110 [1,0,0,0,0,0|1,0,2]=4 467 B5R0.1 C\C(I)=C\CO Amb30621783 [1,0,0,0,0,0|1,0,2]=4 468 B5R0.1 C\C(N)=C/C=O Amb2612039 [1,0,0,0,0,0|1,0,1]=3 469 B5R0.1 C\C=C/B(O)O Amb24547752 [1,0,0,0,0,0|1,0,2]=4 470 B5R0.1 C\C=C/C(=O)O Amb27779315 [1,0,0,0,0,0|0,0,1]=2 471 B5R0.1 C\C=C/C(C)=O Amb28351405 [1,0,0,0,0,0|1,0,1]=3 472 B5R0.1 C\C=C\B(O)O Amb33964180 [1,0,0,0,0,0|1,0,2]=4 473 B5R0.1 C\C=C\C(=O)Br Amb25026006 [1,0,0,0,0,0|1,0,1]=3 474 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [1,0,0,0,0,0|1,0,1]=3 475 B5R0.1 C\C=C\C(=O)O Amb8385856 [1,0,0,0,0,0|0,0,1]=2 476 B5R0.1 C\C=C\C(C)=O Amb33941980 [1,0,0,0,0,0|1,0,1]=3 477 B5R0.1 C\C=C\C(C)O Amb2721243 [1,0,0,0,0,0|1,0,2]=4 478 B5R0.1 C\C=C\C(N)=O Amb4025906 [1,0,0,0,0,0|1,0,1]=3 479 B5R0.1 C\C=C\C(O)O Amb26001148 [1,0,0,0,0,0|0,0,3]=4 480 B5R0.1 C\C=C\S(=O)[O-] Amb32754562 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.1 C\C=C\[N+](=O)[O-] Amb25943859 [1,0,0,0,0,0|1,0,2]=4 482 B5R0.1 C\C=N\C(N)=S Amb28130286 [1,0,0,0,0,0|2,1,0]=4 483 B5R0.1 C\C=N\S(C)=O Amb35718869 [1,0,0,0,0,0|3,0,0]=4 484 B5R0.1 N#CCC(=O)Cl Amb17593096 [1,0,0,0,0,0|2,0,1]=4 485 B5R0.1 N#CCC(=O)O Amb2609022 [1,0,0,0,0,0|1,0,1]=3 486 B5R0.1 N#CCC(N)=O Amb6336473 [1,0,0,0,0,0|2,0,1]=4 487 B5R0.1 N=C(N)CCO Amb2696134 [1,0,0,0,0,0|2,0,1]=4 488 B5R0.1 N=C(N)CCO Amb8630168 [1,0,0,0,0,0|2,0,1]=4 489 B5R0.1 N=C(N)NC=O Amb4020732 [1,0,0,0,0,0|3,0,0]=4 490 B5R0.1 NC(=O)CC=O Amb25777522 [1,0,0,0,0,0|1,0,0]=2 491 B5R0.1 NC(=O)CCBr Amb21618712 [1,0,0,0,0,0|2,0,1]=4 492 B5R0.1 NC(=O)CCCl Amb1127569 [1,0,0,0,0,0|2,0,1]=4 493 B5R0.1 NC(=O)CCF Amb28289353 [1,0,0,0,0,0|2,0,1]=4 494 B5R0.1 NC(=O)CCI Amb27966778 [1,0,0,0,0,0|2,0,1]=4 495 B5R0.1 NC(=O)CCO Amb9421407 [1,0,0,0,0,0|1,0,1]=3 496 B5R0.1 NC(=O)CCS Amb27154802 [1,0,0,0,0,0|1,1,1]=4 497 B5R0.1 NC(=O)CNCl Amb28315673 [1,0,0,0,0,0|3,0,0]=4 498 B5R0.1 NC(=O)NC=O Amb8514974 [1,0,0,0,0,0|2,0,0]=3 499 B5R0.1 NC(=O)NCO Amb17674341 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 NC(=O)\C=C\I Amb27791850 [1,0,0,0,0,0|2,0,1]=4 501 B5R0.1 NC(=S)CCO Amb8855295 [1,0,0,0,0,0|1,1,1]=4 502 B5R0.1 NCCC(=O)Cl Amb24117140 [1,0,0,0,0,0|2,0,1]=4 503 B5R0.1 NCCC(=O)O Amb1935127 [1,0,0,0,0,0|1,0,1]=3 504 B5R0.1 NCCC(=O)[O-] Amb28991330 [1,0,0,0,0,0|1,0,2]=4 505 B5R0.1 NCCC(N)=O Amb1137251 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.1 NCCC(N)=O Amb9147573 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.1 NCCS(=O)O Amb6600043 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.1 NCC[PH](=O)O Amb22168066 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.1 NCC[PH](=O)O Amb35788864 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.1 NNCC(=O)O Amb32751165 [1,0,0,0,0,0|2,0,0]=3 511 B5R0.1 NNCC(=O)O Amb6740299 [1,0,0,0,0,0|2,0,0]=3 512 B5R0.1 NNCC(N)=O Amb32990162 [1,0,0,0,0,0|3,0,0]=4 513 B5R0.1 NOCC(=O)O Amb1154237 [1,0,0,0,0,0|2,0,0]=3 514 B5R0.1 NOCC(=O)O Amb4324355 [1,0,0,0,0,0|2,0,0]=3 515 B5R0.1 NOCC(=O)O Amb8513076 [1,0,0,0,0,0|2,0,0]=3 516 B5R0.1 NOCC(N)=O Amb33528973 [1,0,0,0,0,0|3,0,0]=4 517 B5R0.1 NS(=O)CCO Amb32720357 [1,0,0,0,0,0|2,0,1]=4 518 B5R0.1 N\C=C\C(=O)O Amb27217920 [1,0,0,0,0,0|1,0,1]=3 519 B5R0.1 N\C=C\C(N)=O Amb27237320 [1,0,0,0,0,0|2,0,1]=4 520 B5R0.1 O=C(Br)CCBr Amb24624022 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.1 O=C(Cl)CCBr Amb3941484 [1,0,0,0,0,0|2,0,1]=4 522 B5R0.1 O=C(Cl)CCCl Amb3939313 [1,0,0,0,0,0|2,0,1]=4 523 B5R0.1 O=C(Cl)CCF Amb27148631 [1,0,0,0,0,0|2,0,1]=4 524 B5R0.1 O=C(Cl)CCI Amb28454579 [1,0,0,0,0,0|2,0,1]=4 525 B5R0.1 O=C(Cl)CCO Amb27270014 [1,0,0,0,0,0|1,0,1]=3 526 B5R0.1 O=C(Cl)\C=C/Cl Amb27463694 [1,0,0,0,0,0|2,0,1]=4 527 B5R0.1 O=C(F)CCCl Amb27257545 [1,0,0,0,0,0|2,0,1]=4 528 B5R0.1 O=C(O)C#CBr Amb17593707 [1,0,0,0,0,0|1,0,2]=4 529 B5R0.1 O=C(O)C#CCl Amb17593098 [1,0,0,0,0,0|1,0,2]=4 530 B5R0.1 O=C(O)CCBr Amb2685479 [1,0,0,0,0,0|1,0,1]=3 531 B5R0.1 O=C(O)CCCl Amb5395408 [1,0,0,0,0,0|1,0,1]=3 532 B5R0.1 O=C(O)CCF Amb10603694 [1,0,0,0,0,0|1,0,1]=3 533 B5R0.1 O=C(O)CCI Amb2688882 [1,0,0,0,0,0|1,0,1]=3 534 B5R0.1 O=C(O)CCO Amb2688785 [1,0,0,0,0,0|0,0,2]=3 535 B5R0.1 O=C(O)CCS Amb6608916 [1,0,0,0,0,0|0,1,1]=3 536 B5R0.1 O=C(O)CNO Amb24120360 [1,0,0,0,0,0|1,0,1]=3 537 B5R0.1 O=C(O)\C=C/Br Amb18644453 [1,0,0,0,0,0|1,0,1]=3 538 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [1,0,0,0,0,0|1,0,1]=3 539 B5R0.1 O=C(O)\C=C/I Amb28315824 [1,0,0,0,0,0|1,0,1]=3 540 B5R0.1 O=C(O)\C=C\Br Amb27423608 [1,0,0,0,0,0|1,0,1]=3 541 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [1,0,0,0,0,0|1,0,1]=3 542 B5R0.1 O=C(O)\C=C\I Amb30584673 [1,0,0,0,0,0|1,0,1]=3 543 B5R0.1 O=C(O)\C=C\O Amb26055842 [1,0,0,0,0,0|0,0,2]=3 544 B5R0.1 O=C(O)\C=C\S Amb28401590 [1,0,0,0,0,0|0,1,1]=3 545 B5R0.1 O=C(O)\C=N\O Amb20671938 [1,0,0,0,0,0|1,0,2]=4 546 B5R0.1 O=C(S)CCCl Amb27461454 [1,0,0,0,0,0|1,1,1]=4 547 B5R0.1 O=C([O-])CCO Amb22055495 [1,0,0,0,0,0|1,0,1]=3 548 B5R0.1 O=C=NC(=O)Cl Amb22348016 [1,0,0,0,0,0|2,0,1]=4 549 B5R0.1 O=CC=C(Cl)Cl Amb24691205 [1,0,0,0,0,0|2,0,1]=4 550 B5R0.1 O=CCB(O)O Amb27449470 [1,0,0,0,0,0|1,0,1]=3 551 B5R0.1 O=CCC(=O)O Amb22169407 [1,0,0,0,0,0|0,0,0]=1 552 B5R0.1 O=CCC(=O)[Na] Amb27949540 [1,0,0,0,0,0|1,0,0]=2 553 B5R0.1 O=CCC(Cl)Cl Amb27749867 [1,0,0,0,0,0|2,0,1]=4 554 B5R0.1 O=CCC(F)F Amb27234494 [1,0,0,0,0,0|2,0,1]=4 555 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [1,0,0,0,0,0|1,0,1]=3 556 B5R0.1 O=S(Cl)CCO Amb32720404 [1,0,0,0,0,0|2,0,1]=4 557 B5R0.1 O=S(O)CCO Amb25937057 [1,0,0,0,0,0|1,0,2]=4 558 B5R0.1 O=S([O-])CCO Amb32754124 [1,0,0,0,0,0|2,0,1]=4 559 B5R0.1 O=[N+]([O-])CCO Amb3940447 [1,0,0,0,0,0|2,0,1]=4 560 B5R0.1 [C-]#[N+]CC(=C)C Amb33199610 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.2 C#CC(=O)CC(C)=O Amb27453576 [0,1,0,0,0,0|1,0,0]=2 562 B7R0.2 C#CC(=O)CC(C)C Amb28345618 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.2 C#CC(=O)CC(C)N Amb28285224 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.2 C#CC(=O)NC(C)=O Amb27234739 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [0,1,0,0,0,0|1,0,1]=3 566 B7R0.2 C#CC(O)CC(=C)C Amb27218486 [0,1,0,0,0,0|2,0,1]=4 567 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [0,1,0,0,0,0|0,0,3]=4 568 B7R0.2 C#C\C(C)=C\C(=O)O Amb27950241 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.2 C#C\C(C)=C\C(C)=O Amb28316205 [0,1,0,0,0,0|2,0,1]=4 570 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.2 C=C(C#N)OC(C)=O Amb22227833 [0,1,0,0,0,0|3,0,0]=4 572 B7R0.2 C=C(C)CC(=C)CO Amb28128382 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.2 C=C(C)CC(=O)CC Amb27600284 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.2 C=C(C)CC(F)CO Amb28079110 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.2 C=C(C)CC(N)CO Amb24665584 [0,1,0,0,0,0|2,0,1]=4 577 B7R0.2 C=C(C)CC(O)CN Amb33199504 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.2 C=C(C)\C=C(/C)C=O Amb27464033 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.2 C=C(C)\C=C(\C)CO Amb27972292 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.2 C=C(CBr)CC(C)O Amb27955823 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [0,1,0,0,0,0|1,0,0]=2 583 B7R0.2 C=C(CC)CC(C)O Amb27477686 [0,1,0,0,0,0|2,0,1]=4 584 B7R0.2 C=C(CC)CC(N)=O Amb27394598 [0,1,0,0,0,0|2,0,0]=3 585 B7R0.2 C=C(CC)OC(C)=O Amb25202254 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.2 C=C(CO)CC(C)C Amb25889172 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.2 C=C(CO)CN(C)C Amb33620310 [0,1,0,0,0,0|3,0,0]=4 588 B7R0.2 C=C(O)\C=C(/C)OC Amb27635019 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.2 C=C=C(C)C[C@@H](C)O Amb27981629 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.2 C=CC(=C)CC(C)=O Amb27668846 [0,1,0,0,0,0|2,0,0]=3 591 B7R0.2 C=CC(=C)OC(C)=O Amb25694419 [0,1,0,0,0,0|3,0,0]=4 592 B7R0.2 C=CC(=O)CC(=C)C Amb28048969 [0,1,0,0,0,0|2,0,0]=3 593 B7R0.2 C=CC(=O)CC(C)=O Amb27470884 [0,1,0,0,0,0|1,0,0]=2 594 B7R0.2 C=CC(=O)CC(C)C Amb27412805 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.2 C=CC(=O)CC(C)N Amb28342099 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.2 C=CC(=O)CC(C)O Amb27861172 [0,1,0,0,0,0|1,0,2]=4 597 B7R0.2 C=CC(=O)C[C@@H](C)O Amb28316225 [0,1,0,0,0,0|1,0,2]=4 598 B7R0.2 C=CC(=O)NC(N)=O Amb13951205 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.2 C=CC(=O)OC(N)=O Amb27863065 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.2 C=CC(=O)\C=C(/C)Br Amb28316132 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.2 C=CC(=O)\C=C(\C)Br Amb27861245 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [0,1,0,0,0,0|1,0,1]=3 603 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [0,1,0,0,0,0|0,0,3]=4 608 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [0,1,0,0,0,0|1,0,1]=3 609 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [0,1,0,0,0,0|1,0,1]=3 611 B7R0.2 C=C[C@H](O)CC(=C)C Amb27854005 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.2 C=C\C(Br)=C/C(C)=O Amb24505183 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.2 C=C\C(C)=C/C(=O)O Amb18641686 [0,1,0,0,0,0|1,0,1]=3 614 B7R0.2 C=C\C(C)=C/C(C)=O Amb27210017 [0,1,0,0,0,0|2,0,1]=4 615 B7R0.2 C=C\C(C)=C/C(N)=O Amb27195399 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.2 C=C\C(C)=C\C(C)=O Amb25234874 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.2 C=C\C(O)=C/C(C)=O Amb24553056 [0,1,0,0,0,0|1,0,1]=3 618 B7R0.2 C=NC(=O)NC(N)=O Amb27408759 [0,1,0,0,0,0|2,0,1]=4 619 B7R0.2 CC(=O)CC(=O)C#N Amb25328629 [0,1,0,0,0,0|1,0,0]=2 620 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [0,1,0,0,0,0|0,0,0]=1 621 B7R0.2 CC(=O)CC(C)C#N Amb18124227 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.2 CC(=O)CC(C)CCl Amb28313530 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.2 CC(=O)CC(C)CN Amb18251072 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.2 CC(=O)CC(N)CO Amb27240210 [0,1,0,0,0,0|1,0,1]=3 625 B7R0.2 CC(=O)CC(O)CCl Amb27827457 [0,1,0,0,0,0|1,0,1]=3 626 B7R0.2 CC(=O)CN(C)N=O Amb27488722 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [0,1,0,0,0,0|1,0,1]=3 628 B7R0.2 CC(=O)C[C@@H](O)CCl Amb27817734 [0,1,0,0,0,0|1,0,1]=3 629 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [0,1,0,0,0,0|1,0,1]=3 630 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [0,1,0,0,0,0|0,0,2]=3 631 B7R0.2 CC(=O)C\C(C)=N\N Amb28048941 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.2 CC(=O)C\C(C)=N\O Amb26568890 [0,1,0,0,0,0|1,0,0]=2 633 B7R0.2 CC(=O)NC(=O)CBr Amb33541733 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.2 CC(=O)NC(=O)CCl Amb1105796 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.2 CC(=O)NC(=O)CN Amb24117061 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.2 CC(=O)NC(C)CO Amb9276356 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.2 CC(=O)N[C@@H](C)CO Amb26515722 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.2 CC(=O)N[C@H](C)CO Amb24426644 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.2 CC(=O)N\C(C)=C/S Amb27437872 [0,1,0,0,0,0|2,1,0]=4 641 B7R0.2 CC(=O)N\C(C)=C\S Amb28384532 [0,1,0,0,0,0|2,1,0]=4 642 B7R0.2 CC(=O)OC(=O)CCl Amb27977084 [0,1,0,0,0,0|2,0,0]=3 643 B7R0.2 CC(=O)OC(=O)CN Amb28240797 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.2 CC(=O)OC(O)CN Amb27839430 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [0,1,0,0,0,0|1,0,1]=3 648 B7R0.2 CC(=O)\C=C(/C)CO Amb25240045 [0,1,0,0,0,0|1,0,1]=3 649 B7R0.2 CC(=O)\C=C(/Cl)CCl Amb27832426 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.2 CC(=O)\C=C(/N)CO Amb27839108 [0,1,0,0,0,0|1,0,1]=3 651 B7R0.2 CC(=O)\C=C(/O)CCl Amb27768762 [0,1,0,0,0,0|1,0,1]=3 652 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [0,1,0,0,0,0|1,0,1]=3 653 B7R0.2 CC(=O)\C=C(\C)CO Amb24518297 [0,1,0,0,0,0|1,0,1]=3 654 B7R0.2 CC(=O)\C=C(\C)NN Amb27839441 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.2 CC(=O)\C=C(\O)CCl Amb27259051 [0,1,0,0,0,0|1,0,1]=3 656 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [0,1,0,0,0,0|1,0,1]=3 657 B7R0.2 CC(C#N)CC(=O)[O-] Amb32952895 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.2 CC(C)=CC(=N)NO Amb27623180 [0,1,0,0,0,0|2,0,1]=4 659 B7R0.2 CC(C)=CC(=O)CBr Amb17594501 [0,1,0,0,0,0|2,0,1]=4 660 B7R0.2 CC(C)=CC(=O)CCl Amb28313535 [0,1,0,0,0,0|2,0,1]=4 661 B7R0.2 CC(C)=CC(=O)CO Amb28048944 [0,1,0,0,0,0|1,0,1]=3 662 B7R0.2 CC(C)=CC(=O)NN Amb27830541 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.2 CC(C)=CC(=O)NO Amb27835078 [0,1,0,0,0,0|1,0,1]=3 664 B7R0.2 CC(C)CC(=O)C#N Amb4019436 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.2 CC(C)CC(=O)C=O Amb25189904 [0,1,0,0,0,0|1,0,2]=4 666 B7R0.2 CC(C)CC(=O)CBr Amb22396854 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.2 CC(C)CC(=O)CCl Amb20622841 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.2 CC(C)CC(=O)CF Amb23454719 [0,1,0,0,0,0|2,0,1]=4 669 B7R0.2 CC(C)CC(=O)CN Amb18641847 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.2 CC(C)CC(=O)CN Amb30982570 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.2 CC(C)CC(=O)CO Amb18559774 [0,1,0,0,0,0|1,0,1]=3 672 B7R0.2 CC(C)CC(=O)CS Amb28316226 [0,1,0,0,0,0|1,1,1]=4 673 B7R0.2 CC(C)CC(=O)NN Amb1154207 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.2 CC(C)CC(=O)NO Amb6280209 [0,1,0,0,0,0|1,0,1]=3 675 B7R0.2 CC(C)CC(O)C=O Amb27250174 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.2 CC(C)C\C(N)=N/O Amb2696576 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.2 CC(C)C\C(N)=N\O Amb8384557 [0,1,0,0,0,0|2,0,1]=4 678 B7R0.2 CC(C)NC(=O)CO Amb5798170 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.2 CC(C)NC(=O)NO Amb27838415 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.2 CC(C)OC(=O)CO Amb3941003 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.2 CC(CC(=O)O)NN Amb28346224 [0,1,0,0,0,0|1,0,1]=3 682 B7R0.2 CC(CC(=O)O)NN Amb33141007 [0,1,0,0,0,0|1,0,1]=3 683 B7R0.2 CC(CCl)CC(=O)Cl Amb27949867 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.2 CC(CF)CC(=O)O Amb25990964 [0,1,0,0,0,0|1,0,1]=3 685 B7R0.2 CC(CN)CC(=O)O Amb18124263 [0,1,0,0,0,0|1,0,1]=3 686 B7R0.2 CC(CN)CC(=O)O Amb20669501 [0,1,0,0,0,0|1,0,1]=3 687 B7R0.2 CC(CN)CC(=O)O Amb32752805 [0,1,0,0,0,0|1,0,1]=3 688 B7R0.2 CC(CN)CC(N)=O Amb18641899 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.2 CC(CO)CC(=O)O Amb18198168 [0,1,0,0,0,0|0,0,2]=3 690 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [0,1,0,0,0,0|0,0,3]=4 691 B7R0.2 CC(Cl)CC(=O)CN Amb28048961 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.2 CC(Cl)CC(=O)CN Amb33473605 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.2 CC(N)C\C(N)=N\O Amb25947803 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.2 CC(O)CC(=O)NN Amb6548973 [0,1,0,0,0,0|1,0,2]=4 695 B7R0.2 CC(O)CN(C)N=O Amb27595565 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.2 CC(O)C\C(N)=N\O Amb33328422 [0,1,0,0,0,0|1,0,2]=4 697 B7R0.2 CC(O)NC(=O)CS Amb27838336 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.2 CC(S)CC(=O)NN Amb27970702 [0,1,0,0,0,0|1,1,1]=4 699 B7R0.2 CCC(=O)C=C(C)C Amb25715052 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [0,1,0,0,0,0|0,0,0]=1 701 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [0,1,0,0,0,0|1,0,0]=2 702 B7R0.2 CCC(=O)CC(C)C Amb17138363 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [0,1,0,0,0,0|1,0,0]=2 704 B7R0.2 CCC(=O)CC(O)O Amb28316114 [0,1,0,0,0,0|0,0,2]=3 705 B7R0.2 CCC(=O)CS(C)=O Amb27464042 [0,1,0,0,0,0|2,0,0]=3 706 B7R0.2 CCC(=O)C[C@@H](C)O Amb28316195 [0,1,0,0,0,0|1,0,1]=3 707 B7R0.2 CCC(=O)NC(=N)N Amb19148005 [0,1,0,0,0,0|3,0,0]=4 708 B7R0.2 CCC(=O)NC(C)=O Amb27800787 [0,1,0,0,0,0|2,0,0]=3 709 B7R0.2 CCC(=O)NC(C)=S Amb28287319 [0,1,0,0,0,0|2,1,0]=4 710 B7R0.2 CCC(=O)NC(N)=O Amb27643460 [0,1,0,0,0,0|2,0,0]=3 711 B7R0.2 CCC(=O)NC(N)=S Amb26551125 [0,1,0,0,0,0|2,1,0]=4 712 B7R0.2 CCC(=O)OC(C)=O Amb21858081 [0,1,0,0,0,0|2,0,0]=3 713 B7R0.2 CCC(=O)SC(=N)N Amb27445157 [0,1,0,0,0,0|3,0,0]=4 714 B7R0.2 CCC(=O)SC(N)=S Amb27839514 [0,1,0,0,0,0|2,1,0]=4 715 B7R0.2 CCC(=O)\C=C(/C)Br Amb28315626 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.2 CCC(=O)\C=C(\C)N Amb26526823 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.2 CCC(C)CC(=O)Cl Amb10844649 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.2 CCC(C)CC(=O)O Amb2689581 [0,1,0,0,0,0|1,0,1]=3 719 B7R0.2 CCC(C)CC(C)=O Amb10608208 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.2 CCC(C)CC(N)=O Amb25230669 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.2 CCC(Cl)CC(C)=O Amb28121450 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.2 CCC(N)CC(=O)O Amb1993862 [0,1,0,0,0,0|1,0,1]=3 723 B7R0.2 CCC(N)CC(=O)O Amb8631361 [0,1,0,0,0,0|1,0,1]=3 724 B7R0.2 CCC(N)CC(C)=O Amb18631696 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.2 CCC(N)CC(C)=O Amb26895708 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.2 CCC(N)CC(N)=O Amb25727686 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.2 CCC(O)CC(=O)O Amb10844270 [0,1,0,0,0,0|0,0,2]=3 728 B7R0.2 CCC(O)CC(C)=O Amb25065181 [0,1,0,0,0,0|1,0,1]=3 729 B7R0.2 CCC(O)CS(C)=O Amb28457838 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.2 CCC(O)OC(C)=O Amb28256771 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.2 CCN(C)CC(=O)O Amb33620688 [0,1,0,0,0,0|2,0,0]=3 732 B7R0.2 CCN(C)CC(=O)O Amb8428140 [0,1,0,0,0,0|2,0,0]=3 733 B7R0.2 CCN(C)CC(C)=O Amb8427987 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.2 CCN(C)CC(C)=O Amb9173327 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.2 CCN(C)CC(N)=O Amb27639873 [0,1,0,0,0,0|3,0,0]=4 736 B7R0.2 CCN(O)CC(=O)O Amb28195485 [0,1,0,0,0,0|1,0,1]=3 737 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,1,0,0,0,0|1,0,0]=2 738 B7R0.2 CCS(=O)CC(C)=O Amb26873160 [0,1,0,0,0,0|2,0,0]=3 739 B7R0.2 CCS(=O)CC(N)=O Amb27762121 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [0,1,0,0,0,0|1,0,1]=3 741 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [0,1,0,0,0,0|1,0,1]=3 742 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [0,1,0,0,0,0|0,0,2]=3 744 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [0,1,0,0,0,0|1,0,1]=3 745 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [0,1,0,0,0,0|1,0,1]=3 746 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [0,1,0,0,0,0|1,0,1]=3 747 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [0,1,0,0,0,0|1,0,1]=3 748 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [0,1,0,0,0,0|0,0,2]=3 749 B7R0.2 CC[C@H](O)CC(C)=O Amb26980782 [0,1,0,0,0,0|1,0,1]=3 750 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [0,1,0,0,0,0|1,0,1]=3 751 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [0,1,0,0,0,0|1,0,1]=3 752 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [0,1,0,0,0,0|1,0,1]=3 754 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [0,1,0,0,0,0|2,0,1]=4 755 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [0,1,0,0,0,0|1,0,1]=3 756 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [0,1,0,0,0,0|1,0,1]=3 757 B7R0.2 CC\C(N)=C\C(N)=O Amb27621383 [0,1,0,0,0,0|2,0,1]=4 758 B7R0.2 CC\C(N)=N\C(C)=O Amb27391863 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [0,1,0,0,0,0|0,0,2]=3 760 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [0,1,0,0,0,0|1,1,1]=4 761 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [0,1,0,0,0,0|1,0,2]=4 762 B7R0.2 CN(C)CC(=N)NO Amb21858419 [0,1,0,0,0,0|3,0,0]=4 763 B7R0.2 CN(C)CC(=O)CBr Amb27834260 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.2 CN(C)CC(=O)NN Amb19930184 [0,1,0,0,0,0|3,0,0]=4 765 B7R0.2 CN(C)CC(=O)NN Amb2720153 [0,1,0,0,0,0|3,0,0]=4 766 B7R0.2 CN(C)CC(=O)NN Amb836901 [0,1,0,0,0,0|3,0,0]=4 767 B7R0.2 CN(C)C\C(N)=N/O Amb2695938 [0,1,0,0,0,0|3,0,0]=4 768 B7R0.2 CN(C)C\C(N)=N\O Amb13777254 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.2 CN(C)C\C(N)=N\O Amb8384634 [0,1,0,0,0,0|3,0,0]=4 770 B7R0.2 CN(C=O)CB(O)O Amb8392107 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [0,1,0,0,0,0|2,0,0]=3 772 B7R0.2 CN(C=O)CC(N)=S Amb27963784 [0,1,0,0,0,0|2,1,0]=4 773 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [0,1,0,0,0,0|1,0,0]=2 774 B7R0.2 CN(CO)CC(=O)O Amb27663224 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.2 CNC(=O)C=C(C)C Amb27838918 [0,1,0,0,0,0|2,0,1]=4 776 B7R0.2 CNC(=O)CC(=N)N Amb19516898 [0,1,0,0,0,0|2,0,0]=3 777 B7R0.2 CNC(=O)CC(=N)N Amb22587420 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [0,1,0,0,0,0|0,0,0]=1 779 B7R0.2 CNC(=O)CC(=O)[O-] Amb35747299 [0,1,0,0,0,0|0,0,1]=2 780 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [0,1,0,0,0,0|1,0,0]=2 781 B7R0.2 CNC(=O)CC(C)N Amb18949898 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.2 CNC(=O)CC(C)N Amb33548084 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.2 CNC(=O)CC(C)O Amb24525315 [0,1,0,0,0,0|1,0,1]=3 784 B7R0.2 CNC(=O)CC(N)=S Amb1980804 [0,1,0,0,0,0|1,1,0]=3 785 B7R0.2 CNC(=O)CN(C)C Amb19978831 [0,1,0,0,0,0|3,0,0]=4 786 B7R0.2 CNC(=O)C[C@H](C)N Amb27400875 [0,1,0,0,0,0|2,0,1]=4 787 B7R0.2 CNC(=O)C[N+](=O)[O-] Amb22055805 [0,1,0,0,0,0|1,0,1]=3 788 B7R0.2 CNC(=O)C[S+](C)Cl Amb27879505 [0,1,0,0,0,0|3,0,0]=4 789 B7R0.2 CNC(=O)N=C(N)N Amb25808957 [0,1,0,0,0,0|3,0,0]=4 790 B7R0.2 CNC(=O)NC(C)=O Amb2782874 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.2 CNC(=O)\C=C(/C)N Amb27253694 [0,1,0,0,0,0|2,0,1]=4 792 B7R0.2 CNC(=S)CC(C)=O Amb24096719 [0,1,0,0,0,0|1,1,0]=3 793 B7R0.2 CNC(=S)CC(N)=S Amb1980798 [0,1,0,0,0,0|1,2,0]=4 794 B7R0.2 CNC(=S)NC(C)=O Amb24746594 [0,1,0,0,0,0|2,1,0]=4 795 B7R0.2 CNC(=S)SC(C)=O Amb27185753 [0,1,0,0,0,0|2,1,0]=4 796 B7R0.2 CNC(C)CC(=O)O Amb21959674 [0,1,0,0,0,0|1,0,1]=3 797 B7R0.2 CNC(C)CC(=O)O Amb9398363 [0,1,0,0,0,0|1,0,1]=3 798 B7R0.2 CNC(C)CC(N)=O Amb17231826 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.2 CNC(C)CC(N)=O Amb19960012 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [0,1,0,0,0,0|1,0,1]=3 801 B7R0.2 CN\C(C)=C/C(C)=O Amb15691784 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.2 CN\C(C)=C\C(C)=O Amb27486166 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.2 CN\C(N)=N\C(C)=O Amb24120628 [0,1,0,0,0,0|3,0,0]=4 804 B7R0.2 COC(=N)CC(C)C Amb26515773 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.2 COC(=N)CC(C)C Amb32658736 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.2 COC(=N)CN(C)C Amb23538532 [0,1,0,0,0,0|3,0,0]=4 807 B7R0.2 COC(=N)NC(C)=O Amb28436707 [0,1,0,0,0,0|2,0,0]=3 808 B7R0.2 COC(=O)C=C(C)C Amb8384897 [0,1,0,0,0,0|1,0,1]=3 809 B7R0.2 COC(=O)CC(=N)N Amb18831173 [0,1,0,0,0,0|2,0,0]=3 810 B7R0.2 COC(=O)CC(=N)N Amb19516886 [0,1,0,0,0,0|2,0,0]=3 811 B7R0.2 COC(=O)CC(=O)Cl Amb3939073 [0,1,0,0,0,0|1,0,0]=2 812 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,1,0,0,0,0|0,0,0]=1 813 B7R0.2 COC(=O)CC(=O)[O-] Amb2780363 [0,1,0,0,0,0|0,0,1]=2 814 B7R0.2 COC(=O)CC(=O)[O-] Amb34915950 [0,1,0,0,0,0|0,0,1]=2 815 B7R0.2 COC(=O)CC(C)=O Amb6608655 [0,1,0,0,0,0|0,0,0]=1 816 B7R0.2 COC(=O)CC(C)Br Amb10603675 [0,1,0,0,0,0|1,0,1]=3 817 B7R0.2 COC(=O)CC(C)C Amb9241810 [0,1,0,0,0,0|1,0,1]=3 818 B7R0.2 COC(=O)CC(C)Cl Amb4017877 [0,1,0,0,0,0|1,0,1]=3 819 B7R0.2 COC(=O)CC(C)N Amb2371489 [0,1,0,0,0,0|1,0,1]=3 820 B7R0.2 COC(=O)CC(C)N Amb461639 [0,1,0,0,0,0|1,0,1]=3 821 B7R0.2 COC(=O)CC(C)O Amb9277785 [0,1,0,0,0,0|0,0,2]=3 822 B7R0.2 COC(=O)CC(C)S Amb19515267 [0,1,0,0,0,0|0,1,1]=3 823 B7R0.2 COC(=O)CC(F)F Amb26627959 [0,1,0,0,0,0|2,0,1]=4 824 B7R0.2 COC(=O)CC(N)=O Amb22043417 [0,1,0,0,0,0|1,0,0]=2 825 B7R0.2 COC(=O)CC(N)=S Amb6254935 [0,1,0,0,0,0|1,1,0]=3 826 B7R0.2 COC(=O)CN(=O)=O Amb20621013 [0,1,0,0,0,0|1,0,1]=3 827 B7R0.2 COC(=O)CN(C)C Amb7755999 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.2 COC(=O)CN(C)O Amb28411029 [0,1,0,0,0,0|1,0,1]=3 829 B7R0.2 COC(=O)CS(=O)Cl Amb26599559 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.2 COC(=O)CS(=O)[O-] Amb27191884 [0,1,0,0,0,0|1,0,1]=3 831 B7R0.2 COC(=O)CS(C)=O Amb20626166 [0,1,0,0,0,0|1,0,0]=2 832 B7R0.2 COC(=O)CS(N)=O Amb32720320 [0,1,0,0,0,0|2,0,0]=3 833 B7R0.2 COC(=O)C[C@@H](C)N Amb22898912 [0,1,0,0,0,0|1,0,1]=3 834 B7R0.2 COC(=O)C[C@@H](C)N Amb8395866 [0,1,0,0,0,0|1,0,1]=3 835 B7R0.2 COC(=O)C[C@@H](C)O Amb2725551 [0,1,0,0,0,0|0,0,2]=3 836 B7R0.2 COC(=O)C[C@H](C)N Amb25789928 [0,1,0,0,0,0|1,0,1]=3 837 B7R0.2 COC(=O)C[C@H](C)N Amb33847401 [0,1,0,0,0,0|1,0,1]=3 838 B7R0.2 COC(=O)C[C@H](C)O Amb8397299 [0,1,0,0,0,0|0,0,2]=3 839 B7R0.2 COC(=O)C[N+](=O)[O-] Amb1101938 [0,1,0,0,0,0|1,0,1]=3 840 B7R0.2 COC(=O)N=C(N)N Amb27596138 [0,1,0,0,0,0|3,0,0]=4 841 B7R0.2 COC(=O)NC(C)C Amb17861698 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.2 COC(=O)OC(C)C Amb22049510 [0,1,0,0,0,0|2,0,1]=4 843 B7R0.2 COC(=O)OC(C)Cl Amb28320721 [0,1,0,0,0,0|2,0,1]=4 844 B7R0.2 COC(=O)OC(C)F Amb28251346 [0,1,0,0,0,0|2,0,1]=4 845 B7R0.2 COC(=O)OC(C)O Amb28207359 [0,1,0,0,0,0|1,0,2]=4 846 B7R0.2 COC(=O)\C=C(/C)N Amb1157857 [0,1,0,0,0,0|1,0,1]=3 847 B7R0.2 COC(=O)\C=C(\C)N Amb4018177 [0,1,0,0,0,0|1,0,1]=3 848 B7R0.2 COC(=S)CC(N)=O Amb27230798 [0,1,0,0,0,0|1,1,0]=3 849 B7R0.2 COC(=S)NC(C)=O Amb27155891 [0,1,0,0,0,0|1,1,0]=3 850 B7R0.2 COC(=S)NC(N)=O Amb28456572 [0,1,0,0,0,0|2,1,0]=4 851 B7R0.2 COC(C)CC(=O)O Amb4001695 [0,1,0,0,0,0|0,0,2]=3 852 B7R0.2 COC(C)CC(C)=O Amb26512071 [0,1,0,0,0,0|1,0,1]=3 853 B7R0.2 COC(C)CC(N)=O Amb27838372 [0,1,0,0,0,0|1,0,2]=4 854 B7R0.2 COC(C)NC(C)=O Amb27839138 [0,1,0,0,0,0|2,0,1]=4 855 B7R0.2 CON(C)CC(=O)O Amb8010467 [0,1,0,0,0,0|1,0,1]=3 856 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [0,1,0,0,0,0|0,0,2]=3 857 B7R0.2 CO[C@H](C)CC(C)=O Amb26494510 [0,1,0,0,0,0|1,0,1]=3 858 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [0,1,0,0,0,0|0,0,2]=3 859 B7R0.2 CO\C(C)=C/C(C)=O Amb28145644 [0,1,0,0,0,0|1,0,1]=3 860 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [0,1,0,0,0,0|0,0,2]=3 861 B7R0.2 CO\C(N)=C\C(C)=O Amb27947759 [0,1,0,0,0,0|1,0,1]=3 862 B7R0.2 CS(=O)CC(O)CN Amb24482487 [0,1,0,0,0,0|2,0,1]=4 863 B7R0.2 CS(=O)CC(O)CN Amb32683521 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.2 CSC(=O)NC(=N)N Amb27233975 [0,1,0,0,0,0|3,0,0]=4 865 B7R0.2 CSC(=O)NC(N)=O Amb27878953 [0,1,0,0,0,0|2,0,0]=3 866 B7R0.2 CSC(=S)CC(C)O Amb27164064 [0,1,0,0,0,0|1,1,1]=4 867 B7R0.2 CSC(C)CC(=O)O Amb18967824 [0,1,0,0,0,0|0,1,1]=3 868 B7R0.2 CSC(C)CC(C)=O Amb25714199 [0,1,0,0,0,0|1,1,1]=4 869 B7R0.2 CSC(C)CC(N)=O Amb27838848 [0,1,0,0,0,0|1,1,1]=4 870 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [0,1,0,0,0,0|0,1,1]=3 871 B7R0.2 CS\C(C)=C\C(C)=O Amb28315811 [0,1,0,0,0,0|1,1,1]=4 872 B7R0.2 CS\C(N)=C/C(C)=O Amb8554013 [0,1,0,0,0,0|1,1,1]=4 873 B7R0.2 CS\C(N)=C\C(C)=O Amb27420945 [0,1,0,0,0,0|1,1,1]=4 874 B7R0.2 CS\C(N)=N\C(N)=O Amb25757974 [0,1,0,0,0,0|3,0,0]=4 875 B7R0.2 C[C@@H](CCl)CC(=O)Cl Amb27855839 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [0,1,0,0,0,0|1,0,1]=3 877 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [0,1,0,0,0,0|1,0,1]=3 878 B7R0.2 C[C@@H](O)CC(=O)NN Amb27452910 [0,1,0,0,0,0|1,0,2]=4 879 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [0,1,0,0,0,0|1,0,1]=3 880 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [0,1,0,0,0,0|1,0,1]=3 881 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [0,1,0,0,0,0|0,0,2]=3 882 B7R0.2 C[C@H](O)CC(=O)NN Amb27409334 [0,1,0,0,0,0|1,0,2]=4 883 B7R0.2 C[C@H](O)CN(C)N=O Amb27843043 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.2 C\C(=C/C(=O)Cl)CBr Amb27477400 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.2 C\C(=C/C(=O)Cl)CCl Amb28134682 [0,1,0,0,0,0|2,0,1]=4 886 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [0,1,0,0,0,0|0,0,2]=3 887 B7R0.2 C\C(=C/C(N)=O)CN Amb28288035 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.2 C\C(=C\Cl)CC(N)=O Amb27391105 [0,1,0,0,0,0|2,0,0]=3 889 B7R0.2 C\C(C#N)=C/C(=O)O Amb27830669 [0,1,0,0,0,0|1,0,1]=3 890 B7R0.2 C\C(C=O)=C\C(C)O Amb27802195 [0,1,0,0,0,0|1,0,2]=4 891 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [0,1,0,0,0,0|0,0,1]=2 892 B7R0.2 C\C(CC(C)C)=N/O Amb26630838 [0,1,0,0,0,0|2,0,1]=4 893 B7R0.2 C\C(CC(C)C)=N\O Amb27624178 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.2 C\C(O)=C\C(C)=N/O Amb27227992 [0,1,0,0,0,0|1,0,2]=4 895 B7R0.2 C\C=C(/C)CC(C)=O Amb28066574 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.2 C\C=C(\C)CC(C)=O Amb27637813 [0,1,0,0,0,0|2,0,0]=3 897 B7R0.2 C\C=C(\C)NC(C)=O Amb24468210 [0,1,0,0,0,0|3,0,0]=4 898 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [0,1,0,0,0,0|1,0,0]=2 899 B7R0.2 C\N=C(C)/C=C(\C)O Amb27637850 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [0,1,0,0,0,0|1,0,2]=4 901 B7R0.2 N#CC(O)CC(N)=O Amb28063048 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.2 N=C(N)NC(=O)CF Amb27838873 [0,1,0,0,0,0|3,0,0]=4 903 B7R0.2 NC(=O)CC(=O)CCl Amb27797889 [0,1,0,0,0,0|1,0,0]=2 904 B7R0.2 NC(=O)CC(=O)NO Amb28348925 [0,1,0,0,0,0|1,0,0]=2 905 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.2 NC(=O)CC(N)CCl Amb26458731 [0,1,0,0,0,0|2,0,1]=4 907 B7R0.2 NC(=O)CC(O)CO Amb25662216 [0,1,0,0,0,0|1,0,2]=4 908 B7R0.2 NC(=O)CN(O)CBr Amb27863565 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.2 NC(=O)C[C@@H](O)CCl Amb27173051 [0,1,0,0,0,0|1,0,2]=4 910 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [0,1,0,0,0,0|1,0,2]=4 911 B7R0.2 NC(=O)C\C(N)=N/O Amb8559051 [0,1,0,0,0,0|2,0,0]=3 912 B7R0.2 NC(=O)C\C(N)=N\O Amb577388 [0,1,0,0,0,0|2,0,0]=3 913 B7R0.2 NC(=O)NC(=O)C=O Amb27964563 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.2 NC(=O)NC(=O)CBr Amb24104085 [0,1,0,0,0,0|2,0,0]=3 915 B7R0.2 NC(=O)NC(=O)CCl Amb362395 [0,1,0,0,0,0|2,0,0]=3 916 B7R0.2 NC(=O)NC(=O)CF Amb27838299 [0,1,0,0,0,0|2,0,0]=3 917 B7R0.2 NC(=O)NC(=O)CS Amb27390052 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.2 NC(=S)NC(=O)CF Amb27595666 [0,1,0,0,0,0|2,1,0]=4 919 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [0,1,0,0,0,0|1,0,1]=3 920 B7R0.2 NC(CF)CC(=O)O Amb24428065 [0,1,0,0,0,0|1,0,1]=3 921 B7R0.2 NC(CS)CC(=O)O Amb25090412 [0,1,0,0,0,0|1,0,1]=3 922 B7R0.2 NCC(=O)C[PH](=O)O Amb27257536 [0,1,0,0,0,0|1,0,0]=2 923 B7R0.2 NCC(F)C[PH](=O)O Amb28398603 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.2 NCC(N)CC(=O)O Amb19515145 [0,1,0,0,0,0|1,0,1]=3 925 B7R0.2 NCC(N)CC(=O)O Amb21858324 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.2 NCC(N)CC(N)=O Amb27603845 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.2 NCC(O)CC(=O)O Amb32663899 [0,1,0,0,0,0|0,0,2]=3 928 B7R0.2 NCC(O)CC(=O)O Amb33544754 [0,1,0,0,0,0|0,0,2]=3 929 B7R0.2 NCC(O)CS(=O)O Amb27831981 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [0,1,0,0,0,0|1,0,1]=3 931 B7R0.2 NC[C@@H](F)CS(=O)O Amb27460870 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.2 NC[C@@H](F)C[PH](=O)O Amb24481490 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [0,1,0,0,0,0|1,0,1]=3 934 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [0,1,0,0,0,0|0,0,2]=3 935 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [0,1,0,0,0,0|0,0,2]=3 936 B7R0.2 NC[C@@H](O)CC(N)=O Amb27838875 [0,1,0,0,0,0|1,0,2]=4 937 B7R0.2 NC[C@@H](O)C[PH](=O)O Amb27596096 [0,1,0,0,0,0|1,0,2]=4 938 B7R0.2 NC[C@H](F)C[PH](=O)O Amb27216774 [0,1,0,0,0,0|2,0,1]=4 939 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [0,1,0,0,0,0|0,0,2]=3 940 B7R0.2 NC\C(I)=C\C(=O)O Amb28386476 [0,1,0,0,0,0|1,0,1]=3 941 B7R0.2 NNC(=O)CC(=O)O Amb25073925 [0,1,0,0,0,0|1,0,0]=2 942 B7R0.2 NNC(=O)CC(N)=O Amb1980864 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.2 NNC(=O)CC(N)=O Amb27660515 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.2 NNC(=O)C[N+](=O)[O-] Amb1102120 [0,1,0,0,0,0|2,0,1]=4 945 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [0,1,0,0,0,0|1,0,1]=3 946 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [0,1,0,0,0,0|1,0,1]=3 947 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [0,1,0,0,0,0|1,0,1]=3 948 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [0,1,0,0,0,0|1,0,1]=3 949 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [0,1,0,0,0,0|1,0,1]=3 950 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [0,1,0,0,0,0|1,0,1]=3 951 B7R0.2 O=C(CCl)CC(Cl)Cl Amb27865473 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.2 O=C(Cl)CC(=O)CCl Amb17593874 [0,1,0,0,0,0|1,0,0]=2 953 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [0,1,0,0,0,0|0,0,0]=1 954 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [0,1,0,0,0,0|0,0,2]=3 955 B7R0.2 O=C(O)CC(O)CF Amb26557587 [0,1,0,0,0,0|0,0,2]=3 956 B7R0.2 O=C(O)CC(O)CO Amb28120003 [0,1,0,0,0,0|0,0,2]=3 957 B7R0.2 O=C(O)CC(O)CS Amb27244674 [0,1,0,0,0,0|0,0,2]=3 958 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [0,1,0,0,0,0|0,0,2]=3 959 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [0,1,0,0,0,0|0,0,2]=3 960 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [0,1,0,0,0,0|0,0,2]=3 961 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [0,1,0,0,0,0|0,0,2]=3 962 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [0,1,0,0,0,0|0,0,2]=3 963 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [0,1,0,0,0,0|1,0,1]=3 964 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [0,1,0,0,0,0|1,0,1]=3 965 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [0,1,0,0,0,0|0,0,2]=3 966 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [0,1,0,0,0,0|0,0,3]=4 967 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [0,1,0,0,0,0|2,0,0]=3 968 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [0,1,0,0,0,0|1,0,1]=3 969 B7R0.9 C=C(C)CC(C)(C)O Amb22052674 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.9 C=C(C)CS(=O)(=O)Cl Amb23511765 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.9 C=C(C)CS(=O)(=O)F Amb32717590 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.9 C=C(C)CS(=O)(=O)O Amb8479884 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.9 C=C(C)CS(=O)(=O)[O-] Amb22168925 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.9 C=C(C)CS(N)(=O)=O Amb25991213 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.9 CC(=O)CC(C)(C)C Amb4605984 [0,1,0,0,0,0|2,0,1]=4 976 B7R0.9 CC(=O)CC(C)(C)Cl Amb27861037 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.9 CC(=O)CC(C)(C)N Amb3940544 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.9 CC(=O)CC(C)(C)N Amb4136360 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.9 CC(=O)CC(C)(C)O Amb2721701 [0,1,0,0,0,0|1,0,1]=3 980 B7R0.9 CC(=O)CC(C)(C)S Amb17593394 [0,1,0,0,0,0|1,1,1]=4 981 B7R0.9 CC(=O)CC(C)(F)F Amb21951914 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.9 CC(=O)CC(F)(F)Cl Amb26488926 [0,1,0,0,0,0|2,0,1]=4 983 B7R0.9 CC(=O)CC(F)(F)F Amb2690777 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.9 CC(=O)CP(=O)(Cl)Cl Amb28201546 [0,1,0,0,0,0|2,0,0]=3 985 B7R0.9 CC(=O)CS(=O)(=O)Cl Amb27206933 [0,1,0,0,0,0|1,0,1]=3 986 B7R0.9 CC(=O)CS(=O)(=O)F Amb33038451 [0,1,0,0,0,0|1,0,1]=3 987 B7R0.9 CC(=O)CS(C)(=O)=O Amb2689700 [0,1,0,0,0,0|1,0,1]=3 988 B7R0.9 CC(=O)C[N+](C)(C)C Amb32661846 [0,1,0,0,0,0|3,0,0]=4 989 B7R0.9 CC(=O)C[N+](C)(C)C Amb32662610 [0,1,0,0,0,0|3,0,0]=4 990 B7R0.9 CC(=O)C[P+](C)(C)C Amb28285163 [0,1,0,0,0,0|3,0,0]=4 991 B7R0.9 CC(=O)NS(=O)(=O)Cl Amb26347350 [0,1,0,0,0,0|2,0,1]=4 992 B7R0.9 CC(=O)NS(C)(=O)=O Amb4158231 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.9 CC(=O)NS(N)(=O)=O Amb28345134 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.9 CC(=O)OC(C)(O)Cl Amb27756319 [0,1,0,0,0,0|2,0,1]=4 995 B7R0.9 CC(=O)OS(C)(=O)=O Amb4036437 [0,1,0,0,0,0|2,0,1]=4 996 B7R0.9 CC(C)(Br)CC(=O)Cl Amb32665504 [0,1,0,0,0,0|2,0,1]=4 997 B7R0.9 CC(C)(Br)CC(=O)O Amb27400399 [0,1,0,0,0,0|1,0,1]=3 998 B7R0.9 CC(C)(C)CC(=O)Cl Amb3939309 [0,1,0,0,0,0|2,0,1]=4 999 B7R0.9 CC(C)(C)CC(=O)O Amb3939865 [0,1,0,0,0,0|1,0,1]=3 1000 B7R0.9 CC(C)(C)CC(N)=O Amb3886534 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.9 CC(C)(Cl)CC(=O)O Amb28047719 [0,1,0,0,0,0|1,0,1]=3 1002 B7R0.9 CC(C)(F)CC(=O)O Amb26360155 [0,1,0,0,0,0|1,0,1]=3 1003 B7R0.9 CC(C)(N)CC(=O)Cl Amb27173472 [0,1,0,0,0,0|2,0,1]=4 1004 B7R0.9 CC(C)(N)CC(=O)O Amb19267108 [0,1,0,0,0,0|1,0,1]=3 1005 B7R0.9 CC(C)(N)CC(=O)O Amb2691269 [0,1,0,0,0,0|1,0,1]=3 1006 B7R0.9 CC(C)(N)CC(=O)O Amb33109875 [0,1,0,0,0,0|1,0,1]=3 1007 B7R0.9 CC(C)(N)CC(N)=O Amb23402094 [0,1,0,0,0,0|2,0,1]=4 1008 B7R0.9 CC(C)(N)CC(N)=O Amb24271090 [0,1,0,0,0,0|2,0,1]=4 1009 B7R0.9 CC(C)(O)CC(=O)O Amb10605560 [0,1,0,0,0,0|0,0,2]=3 1010 B7R0.9 CC(C)(O)CC(=O)[O-] Amb17678748 [0,1,0,0,0,0|0,0,3]=4 1011 B7R0.9 CC(C)(O)CC(=O)[O-] Amb22729769 [0,1,0,0,0,0|0,0,3]=4 1012 B7R0.9 CC(C)(O)CC(N)=O Amb25889946 [0,1,0,0,0,0|1,0,2]=4 1013 B7R0.9 CC(C)(S)CC(=O)O Amb28314250 [0,1,0,0,0,0|0,1,1]=3 1014 B7R0.9 CC(C)CS(=O)(=O)O Amb28349282 [0,1,0,0,0,0|2,0,1]=4 1015 B7R0.9 CC(F)(F)CC(=O)Cl Amb27596822 [0,1,0,0,0,0|2,0,1]=4 1016 B7R0.9 CC(F)(F)CC(=O)O Amb26018420 [0,1,0,0,0,0|1,0,1]=3 1017 B7R0.9 CC(N)CP(=O)(O)O Amb27592463 [0,1,0,0,0,0|2,0,1]=4 1018 B7R0.9 CC(O)(F)CC(=O)O Amb28072926 [0,1,0,0,0,0|0,0,2]=3 1019 B7R0.9 CC(O)(O)CC(=O)O Amb27405076 [0,1,0,0,0,0|0,0,2]=3 1020 B7R0.9 CC(O)(O)CC(N)=O Amb27882731 [0,1,0,0,0,0|1,0,2]=4 1021 B7R0.9 CC(O)CS(=O)(=O)O Amb17593541 [0,1,0,0,0,0|1,0,2]=4 1022 B7R0.9 CC(O)CS(C)(=O)=O Amb21988449 [0,1,0,0,0,0|2,0,1]=4 1023 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [0,1,0,0,0,0|1,0,0]=2 1024 B7R0.9 CP(=O)([O-])CC(=O)[O-] Amb30585120 [0,1,0,0,0,0|1,0,1]=3 1025 B7R0.9 CP(=O)([O-])CC(N)=O Amb27790767 [0,1,0,0,0,0|2,0,0]=3 1026 B7R0.9 CP(C)(=O)CC(=O)O Amb25197683 [0,1,0,0,0,0|1,0,0]=2 1027 B7R0.9 CS(=N)(=O)NC(N)=O Amb35688409 [0,1,0,0,0,0|3,0,0]=4 1028 B7R0.9 CS(=O)(=O)CC(=N)N Amb20625678 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.9 CS(=O)(=O)CC(=N)N Amb22058742 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.9 CS(=O)(=O)CC(=O)Cl Amb28397142 [0,1,0,0,0,0|2,0,0]=3 1031 B7R0.9 CS(=O)(=O)CC(=O)O Amb3939888 [0,1,0,0,0,0|1,0,0]=2 1032 B7R0.9 CS(=O)(=O)CC(N)=O Amb4020730 [0,1,0,0,0,0|2,0,0]=3 1033 B7R0.9 CS(=O)(=O)CC(N)=S Amb2772082 [0,1,0,0,0,0|2,1,0]=4 1034 B7R0.9 CS(=O)(=O)CS(=O)Cl Amb26914245 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.9 CS(=O)(=O)CS(=O)[O-] Amb26910406 [0,1,0,0,0,0|2,0,1]=4 1036 B7R0.9 CS(=O)(=O)CS(N)=O Amb32720312 [0,1,0,0,0,0|3,0,0]=4 1037 B7R0.9 CS(=O)(=O)NC(N)=O Amb22039456 [0,1,0,0,0,0|3,0,0]=4 1038 B7R0.9 CS(C)(=O)=CC(N)=O Amb28397881 [0,1,0,0,0,0|2,0,1]=4 1039 B7R0.9 CS(C)(=O)=NC(=O)Cl Amb25130459 [0,1,0,0,0,0|3,0,0]=4 1040 B7R0.9 CS(C)(=O)=NC(N)=O Amb26364155 [0,1,0,0,0,0|3,0,0]=4 1041 B7R0.9 CS(C)(Cl)CC(=O)O Amb27633859 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.9 C[C@@H](O)CS(C)(=O)=O Amb33055943 [0,1,0,0,0,0|2,0,1]=4 1043 B7R0.9 C[C@H](N)CP(=O)(O)O Amb27647907 [0,1,0,0,0,0|2,0,1]=4 1044 B7R0.9 C[C@H](N)CS(=O)(=O)O Amb25760668 [0,1,0,0,0,0|2,0,1]=4 1045 B7R0.9 C[C@H](O)CS(C)(=O)=O Amb33055944 [0,1,0,0,0,0|2,0,1]=4 1046 B7R0.9 C[N+](C)(C)CC(=O)O Amb3428940 [0,1,0,0,0,0|2,0,0]=3 1047 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb10843741 [0,1,0,0,0,0|2,0,1]=4 1048 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb22002454 [0,1,0,0,0,0|2,0,1]=4 1049 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb6599998 [0,1,0,0,0,0|2,0,1]=4 1050 B7R0.9 C[N+](C)(C)CC(N)=O Amb4282755 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.9 C[N+](C)(N)CC(=O)O Amb27242840 [0,1,0,0,0,0|2,0,0]=3 1052 B7R0.9 C[Si](C)(C)CC(=O)O Amb19894126 [0,1,0,0,0,0|1,1,0]=3 1053 B7R0.9 NC(=O)CS(=O)(=O)Cl Amb28051634 [0,1,0,0,0,0|2,0,1]=4 1054 B7R0.9 NC(=O)CS(=O)(=O)O Amb28398406 [0,1,0,0,0,0|2,0,0]=3 1055 B7R0.9 NC(=O)CS(N)(=O)=O Amb25081925 [0,1,0,0,0,0|2,0,1]=4 1056 B7R0.9 NC(=O)OP(=O)(O)O Amb33741702 [0,1,0,0,0,0|3,0,0]=4 1057 B7R0.9 NS(=O)(=O)CC(=O)O Amb6741828 [0,1,0,0,0,0|2,0,0]=3 1058 B7R0.9 O=C(O)CC(Cl)(Cl)Cl Amb27955278 [0,1,0,0,0,0|2,0,1]=4 1059 B7R0.9 O=C(O)CC(F)(F)Br Amb24373833 [0,1,0,0,0,0|2,0,1]=4 1060 B7R0.9 O=C(O)CC(F)(F)F Amb2691112 [0,1,0,0,0,0|2,0,1]=4 1061 B7R0.9 O=C(O)CP(=O)(O)O Amb4489433 [0,1,0,0,0,0|2,0,0]=3 1062 B7R0.9 O=C(O)CS(=O)(=O)Cl Amb28428457 [0,1,0,0,0,0|2,0,0]=3 1063 B7R0.9 O=C(O)CS(=O)(=O)F Amb26639922 [0,1,0,0,0,0|2,0,0]=3 1064 B7R0.9 O=C(O)CS(=O)(=O)O Amb16232248 [0,1,0,0,0,0|2,0,0]=3 1065 B7R0.9 O=C(O)C[SH](=O)([O-])O Amb27231739 [0,1,0,0,0,0|2,0,0]=3 1066 B7R0.16 C=C(Br)C(N)C(=O)O Amb28193255 [0,1,0,0,0,0|1,0,1]=3 1067 B7R0.16 C=C(C(=O)O)C(=O)Cl Amb28056536 [0,1,0,0,0,0|1,0,1]=3 1068 B7R0.16 C=C(C(=O)O)C(C)C Amb17593189 [0,1,0,0,0,0|1,0,2]=4 1069 B7R0.16 C=C(C(=O)O)C(C)N Amb27794714 [0,1,0,0,0,0|1,0,2]=4 1070 B7R0.16 C=C(C(=O)O)N(C)C Amb27162682 [0,1,0,0,0,0|2,0,1]=4 1071 B7R0.16 C=C(C(=O)O)[C@@H](C)N Amb27440248 [0,1,0,0,0,0|1,0,2]=4 1072 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [0,1,0,0,0,0|0,0,3]=4 1073 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,1,0,0,0,0|1,0,1]=3 1074 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,1,0,0,0,0|1,0,1]=3 1075 B7R0.16 C=C(C(C)=O)[C@@H](C)O Amb26964906 [0,1,0,0,0,0|1,0,2]=4 1076 B7R0.16 C=C(C(C)=O)[C@H](C)O Amb27424236 [0,1,0,0,0,0|1,0,2]=4 1077 B7R0.16 C=C(C(C)=O)[N+](=O)[O-] Amb28350563 [0,1,0,0,0,0|1,0,2]=4 1078 B7R0.16 C=C(C(N)=O)C(N)=O Amb27874113 [0,1,0,0,0,0|2,0,1]=4 1079 B7R0.16 C=C(C)C(=C)C(=O)O Amb33199524 [0,1,0,0,0,0|1,0,1]=3 1080 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.16 C=C(C)C(C)C(C)O Amb28045615 [0,1,0,0,0,0|2,0,1]=4 1082 B7R0.16 C=C(C)C(C)C(N)=O Amb26327976 [0,1,0,0,0,0|2,0,0]=3 1083 B7R0.16 C=C(C)C(Cl)C(C)=O Amb27633869 [0,1,0,0,0,0|2,0,0]=3 1084 B7R0.16 C=C(C)C(N)C(=C)O Amb27762325 [0,1,0,0,0,0|2,0,0]=3 1085 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [0,1,0,0,0,0|1,0,0]=2 1086 B7R0.16 C=C(C)C(O)C(=C)C Amb27254478 [0,1,0,0,0,0|3,0,0]=4 1087 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [0,1,0,0,0,0|1,0,0]=2 1088 B7R0.16 C=C(C)C(O)C(N)=O Amb28123135 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [0,1,0,0,0,0|1,0,0]=2 1090 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [0,1,0,0,0,0|1,0,0]=2 1091 B7R0.16 C=C(C)[C@H](O)[C@@H](C)O Amb27980717 [0,1,0,0,0,0|2,0,1]=4 1092 B7R0.16 CC(=N)C(C)C(C)=O Amb28315572 [0,1,0,0,0,0|2,0,0]=3 1093 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,1,0,0,0,0|0,0,1]=2 1094 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [0,1,0,0,0,0|1,0,1]=3 1095 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,0,0,0,0|1,0,1]=3 1096 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,0,0,0,0|1,0,0]=2 1097 B7R0.16 CC(=O)C(Br)C(C)C Amb2389580 [0,1,0,0,0,0|2,0,1]=4 1098 B7R0.16 CC(=O)C(Br)C(C)Cl Amb27791473 [0,1,0,0,0,0|2,0,1]=4 1099 B7R0.16 CC(=O)C(C)=C(C)C Amb17593162 [0,1,0,0,0,0|2,0,1]=4 1100 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,1,0,0,0,0|1,0,0]=2 1101 B7R0.16 CC(=O)C(C)C(=S)S Amb27261425 [0,1,0,0,0,0|0,2,0]=3 1102 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,1,0,0,0,0|1,0,0]=2 1103 B7R0.16 CC(=O)C(C)C(C)O Amb17593202 [0,1,0,0,0,0|1,0,1]=3 1104 B7R0.16 CC(=O)C(C)[C@@H](C)O Amb28316228 [0,1,0,0,0,0|1,0,1]=3 1105 B7R0.16 CC(=O)C(Cl)=C(C)C Amb28048939 [0,1,0,0,0,0|2,0,1]=4 1106 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,1,0,0,0,0|1,0,0]=2 1107 B7R0.16 CC(=O)C(Cl)C(C)C Amb24483197 [0,1,0,0,0,0|2,0,1]=4 1108 B7R0.16 CC(=O)C(F)C(C)O Amb28437134 [0,1,0,0,0,0|1,0,1]=3 1109 B7R0.16 CC(=O)C(F)[N+](=O)[O-] Amb28254640 [0,1,0,0,0,0|1,0,1]=3 1110 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,1,0,0,0,0|0,0,0]=1 1111 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,1,0,0,0,0|1,0,0]=2 1112 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,1,0,0,0,0|1,0,0]=2 1113 B7R0.16 CC(=O)C(N)C(C)C Amb23536905 [0,1,0,0,0,0|2,0,1]=4 1114 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,1,0,0,0,0|1,0,0]=2 1115 B7R0.16 CC(=O)C(O)C(C)C Amb25087800 [0,1,0,0,0,0|2,0,1]=4 1116 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [0,1,0,0,0,0|1,0,1]=3 1117 B7R0.16 CC(=O)C(S)C(C)C Amb28254219 [0,1,0,0,0,0|2,0,1]=4 1118 B7R0.16 CC(=O)N(C)C(=O)Cl Amb33338974 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.16 CC(=O)N(C)C(C)=O Amb2720846 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,1,0,0,0,0|2,0,0]=3 1121 B7R0.16 CC(=O)[C@@H](C)[C@@H](C)Cl Amb28325873 [0,1,0,0,0,0|2,0,1]=4 1122 B7R0.16 CC(=O)[C@@H](C)[C@H](C)O Amb26966954 [0,1,0,0,0,0|1,0,1]=3 1123 B7R0.16 CC(=O)[C@@H](N)C(C)C Amb28410324 [0,1,0,0,0,0|2,0,1]=4 1124 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [0,1,0,0,0,0|1,0,1]=3 1125 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [0,1,0,0,0,0|1,0,1]=3 1126 B7R0.16 CC(=O)[C@H](C)C(C)C Amb24753185 [0,1,0,0,0,0|2,0,1]=4 1127 B7R0.16 CC(=O)[C@H](C)[C@H](C)O Amb28249967 [0,1,0,0,0,0|1,0,1]=3 1128 B7R0.16 CC(=O)[C@H](O)C(C)C Amb24379445 [0,1,0,0,0,0|2,0,1]=4 1129 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [0,1,0,0,0,0|1,0,1]=3 1130 B7R0.16 CC(=O)\C(C)=C(/C)N Amb25232464 [0,1,0,0,0,0|2,0,1]=4 1131 B7R0.16 CC(=O)\C(C)=C(\C)Br Amb27265798 [0,1,0,0,0,0|2,0,1]=4 1132 B7R0.16 CC(=O)\C(C)=C(\C)N Amb28316241 [0,1,0,0,0,0|2,0,1]=4 1133 B7R0.16 CC(=O)\C(F)=C(/C)F Amb27798095 [0,1,0,0,0,0|2,0,1]=4 1134 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [0,1,0,0,0,0|1,0,1]=3 1135 B7R0.16 CC(=O)\C(F)=C(\C)F Amb24645401 [0,1,0,0,0,0|2,0,1]=4 1136 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,1,0,0,0,0|1,0,1]=3 1137 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [0,1,0,0,0,0|0,1,0]=2 1138 B7R0.16 CC(Br)C(=O)C(=O)O Amb23400913 [0,1,0,0,0,0|1,0,2]=4 1139 B7R0.16 CC(Br)C(Br)C(=O)Cl Amb27482606 [0,1,0,0,0,0|2,0,1]=4 1140 B7R0.16 CC(Br)C(Br)C(=O)O Amb4008645 [0,1,0,0,0,0|1,0,1]=3 1141 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [0,1,0,0,0,0|1,0,0]=2 1142 B7R0.16 CC(C(=O)O)N(C)C Amb21955631 [0,1,0,0,0,0|2,0,0]=3 1143 B7R0.16 CC(C(=O)O)N(C)C Amb6653762 [0,1,0,0,0,0|2,0,0]=3 1144 B7R0.16 CC(C(=O)O)N(C)N Amb22372039 [0,1,0,0,0,0|2,0,0]=3 1145 B7R0.16 CC(C(=O)[O-])[C@H](C)O Amb27835918 [0,1,0,0,0,0|0,0,3]=4 1146 B7R0.16 CC(C(N)=O)C(=O)O Amb27401562 [0,1,0,0,0,0|1,0,0]=2 1147 B7R0.16 CC(C(N)=O)C(N)=O Amb4034611 [0,1,0,0,0,0|2,0,0]=3 1148 B7R0.16 CC(C(N)=O)[N+](=O)[O-] Amb27622851 [0,1,0,0,0,0|2,0,1]=4 1149 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [0,1,0,0,0,0|1,0,1]=3 1150 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [0,1,0,0,0,0|1,0,1]=3 1151 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [0,1,0,0,0,0|1,0,1]=3 1152 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [0,1,0,0,0,0|1,0,1]=3 1153 B7R0.16 CC(C)C(=N)C(=O)O Amb28073845 [0,1,0,0,0,0|1,0,2]=4 1154 B7R0.16 CC(C)C(=O)C(=O)O Amb6600000 [0,1,0,0,0,0|1,0,2]=4 1155 B7R0.16 CC(C)C(Br)C(=O)Cl Amb17569838 [0,1,0,0,0,0|2,0,1]=4 1156 B7R0.16 CC(C)C(Br)C(=O)O Amb9703217 [0,1,0,0,0,0|1,0,1]=3 1157 B7R0.16 CC(C)C(Br)C(N)=O Amb9725771 [0,1,0,0,0,0|2,0,1]=4 1158 B7R0.16 CC(C)C(C)C(=O)Cl Amb27645335 [0,1,0,0,0,0|2,0,1]=4 1159 B7R0.16 CC(C)C(C)C(=O)O Amb17087469 [0,1,0,0,0,0|1,0,1]=3 1160 B7R0.16 CC(C)C(Cl)C(=O)Cl Amb24483174 [0,1,0,0,0,0|2,0,1]=4 1161 B7R0.16 CC(C)C(Cl)C(=O)O Amb6739911 [0,1,0,0,0,0|1,0,1]=3 1162 B7R0.16 CC(C)C(F)C(=O)O Amb19957386 [0,1,0,0,0,0|1,0,1]=3 1163 B7R0.16 CC(C)C(N)C(=O)Cl Amb6740265 [0,1,0,0,0,0|2,0,1]=4 1164 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [0,1,0,0,0,0|1,0,1]=3 1165 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [0,1,0,0,0,0|2,0,1]=4 1166 B7R0.16 CC(C)C(N)C(N)=O Amb32666402 [0,1,0,0,0,0|2,0,1]=4 1167 B7R0.16 CC(C)C(N)C(N)=O Amb6271181 [0,1,0,0,0,0|2,0,1]=4 1168 B7R0.16 CC(C)C(O)C(=O)Cl Amb27213311 [0,1,0,0,0,0|2,0,1]=4 1169 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [0,1,0,0,0,0|1,0,1]=3 1170 B7R0.16 CC(C)C(O)[PH](=O)O Amb27430184 [0,1,0,0,0,0|2,0,1]=4 1171 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [0,1,0,0,0,0|1,0,1]=3 1172 B7R0.16 CC(C)[C@@H](Br)C(=O)O Amb8629113 [0,1,0,0,0,0|1,0,1]=3 1173 B7R0.16 CC(C)[C@@H](C)C(=O)O Amb10844600 [0,1,0,0,0,0|1,0,1]=3 1174 B7R0.16 CC(C)[C@@H](C)C(N)=O Amb27838382 [0,1,0,0,0,0|2,0,1]=4 1175 B7R0.16 CC(C)[C@@H](Cl)C(=O)Cl Amb32658177 [0,1,0,0,0,0|2,0,1]=4 1176 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [0,1,0,0,0,0|1,0,1]=3 1177 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [0,1,0,0,0,0|2,0,1]=4 1178 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [0,1,0,0,0,0|2,0,1]=4 1179 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb4013551 [0,1,0,0,0,0|2,0,1]=4 1180 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [0,1,0,0,0,0|1,0,1]=3 1181 B7R0.16 CC(C)[C@@H](O)C(N)=O Amb27879443 [0,1,0,0,0,0|2,0,1]=4 1182 B7R0.16 CC(C)[C@H](Br)C(=O)O Amb8629114 [0,1,0,0,0,0|1,0,1]=3 1183 B7R0.16 CC(C)[C@H](C)C(=O)O Amb10844601 [0,1,0,0,0,0|1,0,1]=3 1184 B7R0.16 CC(C)[C@H](C)C(N)=O Amb28345619 [0,1,0,0,0,0|2,0,1]=4 1185 B7R0.16 CC(C)[C@H](Cl)C(=O)Cl Amb27407011 [0,1,0,0,0,0|2,0,1]=4 1186 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [0,1,0,0,0,0|1,0,1]=3 1187 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16183986 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16231400 [0,1,0,0,0,0|2,0,1]=4 1189 B7R0.16 CC(C)[C@H](N)C(N)=O Amb30595108 [0,1,0,0,0,0|2,0,1]=4 1190 B7R0.16 CC(C)[C@H](N)[PH](=O)O Amb27814729 [0,1,0,0,0,0|2,0,1]=4 1191 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [0,1,0,0,0,0|1,0,1]=3 1192 B7R0.16 CC(Cl)C(C)C(=O)O Amb28325096 [0,1,0,0,0,0|1,0,1]=3 1193 B7R0.16 CC(Cl)C(Cl)C(=O)Cl Amb27634873 [0,1,0,0,0,0|2,0,1]=4 1194 B7R0.16 CC(Cl)C(Cl)C(=O)O Amb28396619 [0,1,0,0,0,0|1,0,1]=3 1195 B7R0.16 CC(F)C(=O)C(=O)O Amb27246511 [0,1,0,0,0,0|1,0,2]=4 1196 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [0,1,0,0,0,0|1,0,1]=3 1197 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [0,1,0,0,0,0|1,0,1]=3 1198 B7R0.16 CC(F)C(N)C(N)=O Amb28250824 [0,1,0,0,0,0|2,0,1]=4 1199 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [0,1,0,0,0,0|1,0,1]=3 1200 B7R0.16 CC(N)C(C)C(=O)O Amb18124261 [0,1,0,0,0,0|1,0,1]=3 1201 B7R0.16 CC(N)C(C)C(=O)O Amb28934866 [0,1,0,0,0,0|1,0,1]=3 1202 B7R0.16 CC(N)C(C)C(N)=O Amb27172764 [0,1,0,0,0,0|2,0,1]=4 1203 B7R0.16 CC(N)C(F)C(=O)O Amb27411861 [0,1,0,0,0,0|1,0,1]=3 1204 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [0,1,0,0,0,0|1,0,1]=3 1205 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [0,1,0,0,0,0|1,0,1]=3 1206 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [0,1,0,0,0,0|1,0,1]=3 1207 B7R0.16 CC(N)C(O)C(N)=O Amb27483181 [0,1,0,0,0,0|2,0,1]=4 1208 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [0,1,0,0,0,0|1,0,1]=3 1209 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [0,1,0,0,0,0|1,0,1]=3 1210 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [0,1,0,0,0,0|0,0,3]=4 1211 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [0,1,0,0,0,0|0,0,2]=3 1212 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [0,1,0,0,0,0|0,0,2]=3 1213 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [0,1,0,0,0,0|0,0,2]=3 1214 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [0,1,0,0,0,0|0,0,2]=3 1215 B7R0.16 CC(O)C(N)C(=O)Cl Amb27830226 [0,1,0,0,0,0|1,0,2]=4 1216 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [0,1,0,0,0,0|0,0,2]=3 1217 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [0,1,0,0,0,0|0,0,2]=3 1218 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [0,1,0,0,0,0|1,0,2]=4 1219 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [0,1,0,0,0,0|1,0,2]=4 1220 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [0,1,0,0,0,0|0,0,2]=3 1221 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [0,1,0,0,0,0|1,0,2]=4 1222 B7R0.16 CC(S)C(=O)C(=O)O Amb28128312 [0,1,0,0,0,0|0,1,2]=4 1223 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [0,1,0,0,0,0|0,1,1]=3 1224 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [0,1,0,0,0,0|0,1,1]=3 1225 B7R0.16 CN(C(=O)Cl)C(=O)Cl Amb28127675 [0,1,0,0,0,0|3,0,0]=4 1226 B7R0.16 CN(C(N)=O)C(N)=O Amb27411152 [0,1,0,0,0,0|3,0,0]=4 1227 B7R0.16 CN(C)C(=N)C(=O)O Amb18641880 [0,1,0,0,0,0|2,0,1]=4 1228 B7R0.16 CN(C)C(=O)C(=O)O Amb2691325 [0,1,0,0,0,0|2,0,1]=4 1229 B7R0.16 CN(C)C(O)C(=O)O Amb28399618 [0,1,0,0,0,0|2,0,0]=3 1230 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb22587534 [0,1,0,0,0,0|2,0,0]=3 1231 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb28934882 [0,1,0,0,0,0|2,0,0]=3 1232 B7R0.16 C[C@@H](Cl)[C@@H](Cl)C(=O)O Amb28343001 [0,1,0,0,0,0|1,0,1]=3 1233 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(=O)O Amb28283911 [0,1,0,0,0,0|1,0,1]=3 1234 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(N)=O Amb27607679 [0,1,0,0,0,0|2,0,1]=4 1235 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [0,1,0,0,0,0|1,0,1]=3 1236 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [0,1,0,0,0,0|1,0,1]=3 1237 B7R0.16 C[C@@H](N)[C@@H](C)C(=O)O Amb25679842 [0,1,0,0,0,0|1,0,1]=3 1238 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [0,1,0,0,0,0|1,0,1]=3 1239 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [0,1,0,0,0,0|1,0,1]=3 1240 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [0,1,0,0,0,0|0,0,2]=3 1241 B7R0.16 C[C@@H](O)[C@@H](C)S(C)=O Amb28249125 [0,1,0,0,0,0|2,0,1]=4 1242 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [0,1,0,0,0,0|0,0,2]=3 1243 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [0,1,0,0,0,0|0,0,2]=3 1244 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [0,1,0,0,0,0|0,0,2]=3 1245 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [0,1,0,0,0,0|0,0,2]=3 1246 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [0,1,0,0,0,0|0,0,2]=3 1247 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [0,1,0,0,0,0|0,0,2]=3 1248 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [0,1,0,0,0,0|0,0,2]=3 1249 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [0,1,0,0,0,0|1,0,2]=4 1250 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [0,1,0,0,0,0|0,1,1]=3 1251 B7R0.16 C[C@H](C(=O)O)N(C)C Amb22586633 [0,1,0,0,0,0|2,0,0]=3 1252 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [0,1,0,0,0,0|0,0,2]=3 1253 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)Cl Amb28384464 [0,1,0,0,0,0|2,0,1]=4 1254 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)O Amb27955873 [0,1,0,0,0,0|1,0,1]=3 1255 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O Amb26887656 [0,1,0,0,0,0|1,0,1]=3 1256 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [0,1,0,0,0,0|1,0,1]=3 1257 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [0,1,0,0,0,0|1,0,1]=3 1258 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [0,1,0,0,0,0|1,0,1]=3 1259 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [0,1,0,0,0,0|0,0,2]=3 1260 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [0,1,0,0,0,0|0,0,2]=3 1261 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [0,1,0,0,0,0|0,0,2]=3 1262 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [0,1,0,0,0,0|0,0,2]=3 1263 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [0,1,0,0,0,0|0,0,2]=3 1264 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [0,1,0,0,0,0|0,0,2]=3 1265 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [0,1,0,0,0,0|0,0,2]=3 1266 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [0,1,0,0,0,0|0,0,2]=3 1267 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [0,1,0,0,0,0|0,0,2]=3 1268 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [0,1,0,0,0,0|0,0,2]=3 1269 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [0,1,0,0,0,0|1,0,0]=2 1270 B7R0.16 C\C(Br)=C(/C)C(=O)O Amb2611697 [0,1,0,0,0,0|1,0,1]=3 1271 B7R0.16 C\C(N)=C(/Cl)C(N)=O Amb26578835 [0,1,0,0,0,0|2,0,1]=4 1272 B7R0.16 C\C(O)=C(/N)C(N)=O Amb28429800 [0,1,0,0,0,0|1,0,2]=4 1273 B7R0.16 C\C(O)=C(\N)C(=O)O Amb27191761 [0,1,0,0,0,0|0,0,2]=3 1274 B7R0.16 C\C(O)=C(\O)C(=O)O Amb28282804 [0,1,0,0,0,0|0,0,2]=3 1275 B7R0.16 N=C(N)C(Br)C(N)=O Amb28245336 [0,1,0,0,0,0|3,0,0]=4 1276 B7R0.16 N=C(N)C(N)C(N)=O Amb27601378 [0,1,0,0,0,0|3,0,0]=4 1277 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,1,0,0,0,0|2,0,0]=3 1278 B7R0.16 NC(=O)C(F)C(N)=O Amb27948525 [0,1,0,0,0,0|2,0,0]=3 1279 B7R0.16 NC(=O)C(N)C(N)=O Amb518675 [0,1,0,0,0,0|2,0,0]=3 1280 B7R0.16 NC(=O)C(O)C(N)=O Amb27212957 [0,1,0,0,0,0|2,0,0]=3 1281 B7R0.16 NC(=O)C([Na])C(N)=O Amb27838298 [0,1,0,0,0,0|2,0,0]=3 1282 B7R0.16 NC(=O)N(O)C(N)=O Amb35748113 [0,1,0,0,0,0|3,0,0]=4 1283 B7R0.16 NC(=O)N(O)C(N)=O Amb35753209 [0,1,0,0,0,0|3,0,0]=4 1284 B7R0.16 NC(=O)[C@H](N)C(=O)O Amb28397054 [0,1,0,0,0,0|1,0,0]=2 1285 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,0,0|1,0,0]=2 1286 B7R0.16 NC(C(=O)O)C(F)F Amb24713127 [0,1,0,0,0,0|2,0,1]=4 1287 B7R0.16 NC(C(=O)O)C(F)F Amb32644474 [0,1,0,0,0,0|2,0,1]=4 1288 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [0,1,0,0,0,0|2,0,0]=3 1289 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [0,1,0,0,0,0|1,0,2]=4 1290 B7R0.16 O=C(Cl)C(=O)C(=O)Cl Amb26634429 [0,1,0,0,0,0|2,0,1]=4 1291 B7R0.16 O=C(Cl)C(Cl)C(=O)Cl Amb27781570 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.16 O=C(Cl)C(F)C(=O)Cl Amb32456101 [0,1,0,0,0,0|2,0,0]=3 1293 B7R0.16 O=C(O)C(=O)C(=O)O Amb18641943 [0,1,0,0,0,0|1,0,1]=3 1294 B7R0.16 O=C(O)C(Br)=C(Cl)Cl Amb27827769 [0,1,0,0,0,0|2,0,1]=4 1295 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [0,1,0,0,0,0|1,0,0]=2 1296 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl Amb2724138 [0,1,0,0,0,0|2,0,1]=4 1297 B7R0.16 O=C(O)C(F)=C(Cl)Cl Amb25732891 [0,1,0,0,0,0|2,0,1]=4 1298 B7R0.16 O=C(O)C(F)=C(F)F Amb27409880 [0,1,0,0,0,0|2,0,1]=4 1299 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [0,1,0,0,0,0|1,0,0]=2 1300 B7R0.16 O=C(O)C(F)C(Cl)Cl Amb4015382 [0,1,0,0,0,0|2,0,1]=4 1301 B7R0.16 O=C(O)C(F)C(F)F Amb27481077 [0,1,0,0,0,0|2,0,1]=4 1302 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [0,1,0,0,0,0|1,0,0]=2 1303 B7R0.16 O=C(O)C(O)C(Cl)Cl Amb27212773 [0,1,0,0,0,0|2,0,1]=4 1304 B7R0.16 O=C(O)C(O)C(F)F Amb25074883 [0,1,0,0,0,0|2,0,1]=4 1305 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [0,1,0,0,0,0|1,0,0]=2 1306 B7R1.2 C=C1COC(=O)C1 Amb24589821 [0,0,0,1,0,0|1,0,0]=2 1307 B7R1.2 C=C1COC(C)C1 Amb35695393 [0,0,0,1,0,0|2,0,1]=4 1308 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [0,0,0,1,0,0|2,0,0]=3 1309 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [0,0,0,1,0,0|2,0,1]=4 1310 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [0,0,0,1,0,0|2,0,1]=4 1311 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [0,0,0,1,0,0|1,0,1]=3 1312 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [0,0,0,1,0,0|2,0,1]=4 1313 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [0,0,0,1,0,0|2,0,1]=4 1314 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [0,0,0,1,0,0|1,0,2]=4 1315 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [0,0,0,1,0,0|1,0,1]=3 1316 B7R1.2 CC1=CNC(=O)N1 Amb20667076 [0,0,0,1,0,0|3,0,0]=4 1317 B7R1.2 CC1=COC(=N)N1 Amb20637145 [0,0,0,1,0,0|3,0,0]=4 1318 B7R1.2 CC1=COC(=O)C1 Amb27624758 [0,0,0,1,0,0|1,0,0]=2 1319 B7R1.2 CC1=COC(=O)N1 Amb27185570 [0,0,0,1,0,0|2,0,0]=3 1320 B7R1.2 CC1=CSC(=O)N1 Amb19372452 [0,0,0,1,0,0|2,1,0]=4 1321 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [0,0,0,1,0,0|2,1,0]=4 1322 B7R1.2 CC1=NC(=O)N=N1 Amb27847426 [0,0,0,1,0,0|3,0,0]=4 1323 B7R1.2 CC1=NC(=O)ON1 Amb22491279 [0,0,0,1,0,0|2,0,0]=3 1324 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [0,0,0,1,0,0|3,0,0]=4 1325 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [0,0,0,1,0,0|3,0,0]=4 1326 B7R1.2 CC1=NN=C(C)C1 Amb33725888 [0,0,0,1,0,0|3,0,0]=4 1327 B7R1.2 CC1=NNC(=O)C1 Amb932788 [0,0,0,1,0,0|2,0,0]=3 1328 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [0,0,0,1,0,0|3,0,0]=4 1329 B7R1.2 CC1=NOC(=O)C1 Amb22274079 [0,0,0,1,0,0|1,0,0]=2 1330 B7R1.2 CC1=NOC(=S)N1 Amb19309843 [0,0,0,1,0,0|2,1,0]=4 1331 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [0,0,0,1,0,0|2,1,0]=4 1332 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [0,0,0,1,0,0|2,0,1]=4 1333 B7R1.2 CC1CC(=O)CN1 Amb28349308 [0,0,0,1,0,0|2,0,1]=4 1334 B7R1.2 CC1CC(=O)CO1 Amb25888380 [0,0,0,1,0,0|1,0,1]=3 1335 B7R1.2 CC1CC(=O)CS1 Amb23598370 [0,0,0,1,0,0|1,1,1]=4 1336 B7R1.2 CC1CC(=O)NN1 Amb493880 [0,0,0,1,0,0|2,0,1]=4 1337 B7R1.2 CC1CCC(=O)C1 Amb8513672 [0,0,0,1,0,0|2,0,1]=4 1338 B7R1.2 CC1CNC(=O)C1 Amb10608004 [0,0,0,1,0,0|2,0,1]=4 1339 B7R1.2 CC1COC(=O)C1 Amb22231914 [0,0,0,1,0,0|1,0,1]=3 1340 B7R1.2 CC1COC(=O)N1 Amb19517037 [0,0,0,1,0,0|2,0,1]=4 1341 B7R1.2 CC1COC(=O)O1 Amb8513300 [0,0,0,1,0,0|2,0,1]=4 1342 B7R1.2 CN1C=CC(=O)C1 Amb28201569 [0,0,0,1,0,0|3,0,0]=4 1343 B7R1.2 CN1CCC(=O)C1 Amb22236123 [0,0,0,1,0,0|3,0,0]=4 1344 B7R1.2 CN1CCC(=O)C1 Amb8947873 [0,0,0,1,0,0|3,0,0]=4 1345 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [0,0,0,1,0,0|2,0,1]=4 1346 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [0,0,0,1,0,0|2,0,1]=4 1347 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [0,0,0,1,0,0|2,0,1]=4 1348 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [0,0,0,1,0,0|1,0,1]=3 1349 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [0,0,0,1,0,0|2,0,1]=4 1350 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [0,0,0,1,0,0|2,0,1]=4 1351 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [0,0,0,1,0,0|2,0,1]=4 1352 B7R1.2 C[C@H]1CNC(=O)C1 Amb26584475 [0,0,0,1,0,0|2,0,1]=4 1353 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [0,0,0,1,0,0|1,0,1]=3 1354 B7R1.2 C[C@H]1COC(=O)N1 Amb8391158 [0,0,0,1,0,0|2,0,1]=4 1355 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [0,0,0,1,0,0|2,0,1]=4 1356 B7R1.2 Cc1cc(Br)on1 Amb18190948 [0,0,0,1,0,0|2,0,1]=4 1357 B7R1.2 Cc1cc(C)on1 Amb17685548 [0,0,0,1,0,0|2,0,1]=4 1358 B7R1.2 Cc1cc(Cl)on1 Amb26958526 [0,0,0,1,0,0|2,0,1]=4 1359 B7R1.2 Cc1cc(I)on1 Amb22754616 [0,0,0,1,0,0|2,0,1]=4 1360 B7R1.2 Cc1cc(N)on1 Amb1156064 [0,0,0,1,0,0|2,0,1]=4 1361 B7R1.2 Cc1cc(O)cs1 Amb24523671 [0,0,0,1,0,0|1,1,1]=4 1362 B7R1.2 Cc1cc(O)no1 Amb2370655 [0,0,0,1,0,0|1,0,2]=4 1363 B7R1.2 Cc1cc(O)ns1 Amb2420511 [0,0,0,1,0,0|1,1,1]=4 1364 B7R1.2 Cc1cc(O)on1 Amb22337742 [0,0,0,1,0,0|1,0,2]=4 1365 B7R1.2 Cc1cc(O)on1 Amb4418352 [0,0,0,1,0,0|1,0,2]=4 1366 B7R1.2 Cc1cc(S)on1 Amb33422693 [0,0,0,1,0,0|1,1,1]=4 1367 B7R1.2 Cc1ccc(O)o1 Amb26645726 [0,0,0,1,0,0|3,0,0]=4 1368 B7R1.2 Cc1ccc(O)s1 Amb17593190 [0,0,0,1,0,0|3,0,0]=4 1369 B7R1.2 Cc1cnc(O)s1 Amb13884319 [0,0,0,1,0,0|3,0,0]=4 1370 B7R1.2 Cc1coc(Br)c1 Amb10600631 [0,0,0,1,0,0|2,0,1]=4 1371 B7R1.2 Cc1coc(Br)n1 Amb19958804 [0,0,0,1,0,0|3,0,0]=4 1372 B7R1.2 Cc1coc(Br)n1 Amb32652195 [0,0,0,1,0,0|3,0,0]=4 1373 B7R1.2 Cc1coc(C)n1 Amb15692404 [0,0,0,1,0,0|3,0,0]=4 1374 B7R1.2 Cc1coc(Cl)n1 Amb22728834 [0,0,0,1,0,0|3,0,0]=4 1375 B7R1.2 Cc1coc(Cl)n1 Amb35788441 [0,0,0,1,0,0|3,0,0]=4 1376 B7R1.2 Cc1coc(I)c1 Amb32685628 [0,0,0,1,0,0|2,0,1]=4 1377 B7R1.2 Cc1coc(I)n1 Amb27211088 [0,0,0,1,0,0|3,0,0]=4 1378 B7R1.2 Cc1coc(N)c1 Amb10600632 [0,0,0,1,0,0|2,0,1]=4 1379 B7R1.2 Cc1coc(N)n1 Amb2455669 [0,0,0,1,0,0|3,0,0]=4 1380 B7R1.2 Cc1coc(S)n1 Amb24121247 [0,0,0,1,0,0|2,1,0]=4 1381 B7R1.2 Cc1csc(O)c1 Amb20617904 [0,0,0,1,0,0|1,1,1]=4 1382 B7R1.2 Cc1nc(O)cs1 Amb10600550 [0,0,0,1,0,0|2,1,0]=4 1383 B7R1.2 Cc1ncc(O)o1 Amb26530422 [0,0,0,1,0,0|3,0,0]=4 1384 B7R1.2 Cc1ncc(O)s1 Amb10599445 [0,0,0,1,0,0|3,0,0]=4 1385 B7R1.2 Cc1nnc(O)o1 Amb15701519 [0,0,0,1,0,0|3,0,0]=4 1386 B7R1.2 Cc1nnc(O)s1 Amb33546269 [0,0,0,1,0,0|3,0,0]=4 1387 B7R1.2 Cc1noc(Br)n1 Amb26436311 [0,0,0,1,0,0|3,0,0]=4 1388 B7R1.2 Cc1noc(C)n1 Amb24423387 [0,0,0,1,0,0|3,0,0]=4 1389 B7R1.2 Cc1noc(I)n1 Amb27781827 [0,0,0,1,0,0|3,0,0]=4 1390 B7R1.2 Cc1noc(N)n1 Amb9180660 [0,0,0,1,0,0|3,0,0]=4 1391 B7R1.2 Cc1noc(O)n1 Amb19373400 [0,0,0,1,0,0|2,0,1]=4 1392 B7R1.2 Cc1noc(S)n1 Amb20641872 [0,0,0,1,0,0|2,1,0]=4 1393 B7R1.2 N=C1C=C(N)CO1 Amb27631497 [0,0,0,1,0,0|2,0,1]=4 1394 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [0,0,0,1,0,0|1,0,2]=4 1395 B7R1.2 N=C1CC(=O)CS1 Amb27227202 [0,0,0,1,0,0|1,1,0]=3 1396 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [0,0,0,1,0,0|2,1,0]=4 1397 B7R1.2 N=C1N=C(N)CO1 Amb27963218 [0,0,0,1,0,0|3,0,0]=4 1398 B7R1.2 N=C1NC(=O)CS1 Amb8468365 [0,0,0,1,0,0|2,1,0]=4 1399 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [0,0,0,1,0,0|2,0,1]=4 1400 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [0,0,0,1,0,0|1,1,1]=4 1401 B7R1.2 NC1=CC(=O)NC1 Amb27454229 [0,0,0,1,0,0|2,0,1]=4 1402 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [0,0,0,1,0,0|2,0,1]=4 1403 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [0,0,0,1,0,0|3,0,0]=4 1404 B7R1.2 NC1=NC(=O)CN1 Amb18639307 [0,0,0,1,0,0|3,0,0]=4 1405 B7R1.2 NC1=NC(=O)CO1 Amb9797441 [0,0,0,1,0,0|2,0,0]=3 1406 B7R1.2 NC1=NC(=O)CS1 Amb6364701 [0,0,0,1,0,0|2,1,0]=4 1407 B7R1.2 NC1=NC(=O)NC1 Amb22059492 [0,0,0,1,0,0|3,0,0]=4 1408 B7R1.2 NC1=NC(=O)ON1 Amb24060381 [0,0,0,1,0,0|3,0,0]=4 1409 B7R1.2 NC1=NCC(=O)N1 Amb21964674 [0,0,0,1,0,0|3,0,0]=4 1410 B7R1.2 NC1=NCC(=O)N1 Amb475286 [0,0,0,1,0,0|3,0,0]=4 1411 B7R1.2 NC1=NCC(=O)S1 Amb25810910 [0,0,0,1,0,0|3,0,0]=4 1412 B7R1.2 NC1=NNC(=O)C1 Amb6409420 [0,0,0,1,0,0|3,0,0]=4 1413 B7R1.2 NC1CCC(=O)C1 Amb22494268 [0,0,0,1,0,0|2,0,1]=4 1414 B7R1.2 NC1CNC(=O)C1 Amb17760661 [0,0,0,1,0,0|2,0,1]=4 1415 B7R1.2 NC1CNC(=O)C1 Amb33544169 [0,0,0,1,0,0|2,0,1]=4 1416 B7R1.2 NC1COC(=O)C1 Amb30594428 [0,0,0,1,0,0|1,0,1]=3 1417 B7R1.2 NC1COC(=O)C1 Amb9782136 [0,0,0,1,0,0|1,0,1]=3 1418 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [0,0,0,1,0,0|2,0,1]=4 1419 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [0,0,0,1,0,0|2,0,1]=4 1420 B7R1.2 N[C@@H]1CNC(=O)C1 Amb33714529 [0,0,0,1,0,0|2,0,1]=4 1421 B7R1.2 N[C@@H]1COC(=O)C1 Amb16233747 [0,0,0,1,0,0|1,0,1]=3 1422 B7R1.2 N[C@@H]1COC(=O)C1 Amb26477774 [0,0,0,1,0,0|1,0,1]=3 1423 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [0,0,0,1,0,0|2,0,1]=4 1424 B7R1.2 N[C@H]1CNC(=O)C1 Amb33801336 [0,0,0,1,0,0|2,0,1]=4 1425 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [0,0,0,1,0,0|1,0,1]=3 1426 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [0,0,0,1,0,0|1,0,1]=3 1427 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [0,0,0,1,0,0|2,0,1]=4 1428 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [0,0,0,1,0,0|2,0,1]=4 1429 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [0,0,0,1,0,0|1,0,1]=3 1430 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [0,0,0,1,0,0|2,0,1]=4 1431 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [0,0,0,1,0,0|1,0,1]=3 1432 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [0,0,0,1,0,0|1,0,1]=3 1433 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [0,0,0,1,0,0|1,0,2]=4 1434 B7R1.2 O=C1C=C(O)CO1 Amb628324 [0,0,0,1,0,0|0,0,2]=3 1435 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [0,0,0,1,0,0|0,1,1]=3 1436 B7R1.2 O=C1C=C(S)CS1 Amb27877546 [0,0,0,1,0,0|0,2,1]=4 1437 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [0,0,0,1,0,0|1,0,1]=3 1438 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [0,0,0,1,0,0|2,0,1]=4 1439 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [0,0,0,1,0,0|2,0,1]=4 1440 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [0,0,0,1,0,0|2,0,1]=4 1441 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [0,0,0,1,0,0|2,0,1]=4 1442 B7R1.2 O=C1C=CC(O)C1 Amb9782767 [0,0,0,1,0,0|1,0,2]=4 1443 B7R1.2 O=C1C=C[C@@H](O)C1 Amb27256512 [0,0,0,1,0,0|1,0,2]=4 1444 B7R1.2 O=C1C=C[C@H](O)C1 Amb2694980 [0,0,0,1,0,0|1,0,2]=4 1445 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [0,0,0,1,0,0|2,0,0]=3 1446 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [0,0,0,1,0,0|1,0,0]=2 1447 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [0,0,0,1,0,0|1,0,1]=3 1448 B7R1.2 O=C1CC(Cl)=CS1 Amb27239976 [0,0,0,1,0,0|1,1,1]=4 1449 B7R1.2 O=C1CC(F)CO1 Amb24431109 [0,0,0,1,0,0|1,0,1]=3 1450 B7R1.2 O=C1CC(I)CO1 Amb27401189 [0,0,0,1,0,0|1,0,1]=3 1451 B7R1.2 O=C1CC(O)CN1 Amb19958404 [0,0,0,1,0,0|1,0,2]=4 1452 B7R1.2 O=C1CC(O)CO1 Amb4006296 [0,0,0,1,0,0|0,0,2]=3 1453 B7R1.2 O=C1CC(S)CN1 Amb25685875 [0,0,0,1,0,0|1,1,1]=4 1454 B7R1.2 O=C1CC=C(Br)S1 Amb25961289 [0,0,0,1,0,0|3,0,0]=4 1455 B7R1.2 O=C1CC=C(S)S1 Amb27621600 [0,0,0,1,0,0|2,1,0]=4 1456 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [0,0,0,1,0,0|1,0,0]=2 1457 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [0,0,0,1,0,0|2,0,0]=3 1458 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [0,0,0,1,0,0|2,0,0]=3 1459 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [0,0,0,1,0,0|2,0,0]=3 1460 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [0,0,0,1,0,0|2,1,0]=4 1461 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [0,0,0,1,0,0|2,0,1]=4 1462 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [0,0,0,1,0,0|2,0,1]=4 1463 B7R1.2 O=C1CCC(F)C1 Amb21963553 [0,0,0,1,0,0|2,0,1]=4 1464 B7R1.2 O=C1CCC(O)C1 Amb22057378 [0,0,0,1,0,0|1,0,1]=3 1465 B7R1.2 O=C1CCC(O)O1 Amb22740957 [0,0,0,1,0,0|2,0,1]=4 1466 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [0,0,0,1,0,0|2,0,0]=3 1467 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [0,0,0,1,0,0|1,0,1]=3 1468 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [0,0,0,1,0,0|2,0,1]=4 1469 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [0,0,0,1,0,0|1,0,1]=3 1470 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [0,0,0,1,0,0|2,0,1]=4 1471 B7R1.2 O=C1CN(Cl)CN1 Amb27795741 [0,0,0,1,0,0|3,0,0]=4 1472 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [0,0,0,1,0,0|2,1,0]=4 1473 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,0,0,1,0,0|1,0,0]=2 1474 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [0,0,0,1,0,0|2,0,0]=3 1475 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [0,0,0,1,0,0|2,0,0]=3 1476 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [0,0,0,1,0,0|2,0,0]=3 1477 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [0,0,0,1,0,0|2,1,0]=4 1478 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [0,0,0,1,0,0|2,1,0]=4 1479 B7R1.2 O=C1CNC(=S)S1 Amb621648 [0,0,0,1,0,0|2,1,0]=4 1480 B7R1.2 O=C1COC(=O)C1 Amb2721303 [0,0,0,1,0,0|0,0,0]=1 1481 B7R1.2 O=C1COC(=O)N1 Amb1625991 [0,0,0,1,0,0|1,0,0]=2 1482 B7R1.2 O=C1COC(=O)O1 Amb27837383 [0,0,0,1,0,0|1,0,0]=2 1483 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [0,0,0,1,0,0|1,0,0]=2 1484 B7R1.2 O=C1COC(Br)=N1 Amb29849631 [0,0,0,1,0,0|2,0,0]=3 1485 B7R1.2 O=C1COC(I)=N1 Amb29849639 [0,0,0,1,0,0|2,0,0]=3 1486 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,0,0,1,0,0|0,1,0]=2 1487 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [0,0,0,1,0,0|1,1,0]=3 1488 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [0,0,0,1,0,0|1,1,0]=3 1489 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [0,0,0,1,0,0|1,2,0]=4 1490 B7R1.2 O=C1CSC(Br)=N1 Amb29850234 [0,0,0,1,0,0|2,1,0]=4 1491 B7R1.2 O=C1CSC(Cl)=N1 Amb29850164 [0,0,0,1,0,0|2,1,0]=4 1492 B7R1.2 O=C1CSC(S)=N1 Amb837069 [0,0,0,1,0,0|1,2,0]=4 1493 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [0,0,0,1,0,0|1,0,2]=4 1494 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [0,0,0,1,0,0|0,0,2]=3 1495 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [0,0,0,1,0,0|1,1,1]=4 1496 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [0,0,0,1,0,0|1,0,2]=4 1497 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [0,0,0,1,0,0|0,0,2]=3 1498 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [0,0,0,1,0,0|1,1,1]=4 1499 B7R1.2 O=C1NC(=S)CO1 Amb28384997 [0,0,0,1,0,0|1,1,0]=3 1500 B7R1.2 O=C1NC(=S)CS1 Amb2469502 [0,0,0,1,0,0|1,2,0]=4 1501 B7R1.2 O=C1NC(S)=CO1 Amb27441431 [0,0,0,1,0,0|1,1,1]=4 1502 B7R1.2 O=C1NCC(=S)N1 Amb2794498 [0,0,0,1,0,0|2,1,0]=4 1503 B7R1.2 O=C1NCC(=S)S1 Amb27785367 [0,0,0,1,0,0|2,1,0]=4 1504 B7R1.2 O=C1NNC(=O)N1 Amb20660475 [0,0,0,1,0,0|3,0,0]=4 1505 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [0,0,0,1,0,0|2,0,0]=3 1506 B7R1.2 O=C1OCC(Cl)O1 Amb10842117 [0,0,0,1,0,0|2,0,1]=4 1507 B7R1.2 O=C1OCC(F)O1 Amb10841016 [0,0,0,1,0,0|2,0,1]=4 1508 B7R1.2 O=S1CCC(O)C1 Amb26600157 [0,0,0,1,0,0|2,0,1]=4 1509 B7R1.2 O=S1CCS(=O)C1 Amb27217021 [0,0,0,1,0,0|3,0,0]=4 1510 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [0,0,0,1,0,0|2,0,1]=4 1511 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [0,0,0,1,0,0|2,0,1]=4 1512 B7R1.12 C=C1CC1C(=O)O Amb9774969 [0,0,0,1,0,0|1,0,0]=2 1513 B7R1.12 C=C1CC1C(N)=O Amb28191145 [0,0,0,1,0,0|2,0,0]=3 1514 B7R1.12 CC(=O)C1CC1C Amb25720437 [0,0,0,1,0,0|2,0,1]=4 1515 B7R1.12 CC(=O)C1N=C1C Amb28050540 [0,0,0,1,0,0|2,0,0]=3 1516 B7R1.12 CC(=O)C1OC1C Amb25920285 [0,0,0,1,0,0|1,0,1]=3 1517 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [0,0,0,1,0,0|2,0,1]=4 1518 B7R1.12 CC(=O)[C@@H]1OC1C Amb27165592 [0,0,0,1,0,0|1,0,1]=3 1519 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [0,0,0,1,0,0|2,0,1]=4 1520 B7R1.12 CC(=O)[C@H]1O[C@H]1C Amb28052513 [0,0,0,1,0,0|1,0,1]=3 1521 B7R1.12 CC(=O)[C@H]1S[C@@H]1C Amb27231676 [0,0,0,1,0,0|1,1,1]=4 1522 B7R1.12 CC1=CC1C(=O)O Amb27157805 [0,0,0,1,0,0|1,0,0]=2 1523 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [0,0,0,1,0,0|2,0,1]=4 1524 B7R1.12 CC1CC1C(=O)O Amb9703126 [0,0,0,1,0,0|1,0,1]=3 1525 B7R1.12 CC1CC1C(N)=O Amb8858378 [0,0,0,1,0,0|2,0,1]=4 1526 B7R1.12 CC1OC1C(=O)O Amb17593088 [0,0,0,1,0,0|0,0,2]=3 1527 B7R1.12 CC1SC1C(=O)O Amb27195238 [0,0,0,1,0,0|0,1,1]=3 1528 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [0,0,0,1,0,0|0,1,1]=3 1529 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [0,0,0,1,0,0|1,0,1]=3 1530 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [0,0,0,1,0,0|2,0,1]=4 1531 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [0,0,0,1,0,0|1,0,1]=3 1532 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [0,0,0,1,0,0|2,0,1]=4 1533 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [0,0,0,1,0,0|1,0,1]=3 1534 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [0,0,0,1,0,0|0,0,2]=3 1535 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [0,0,0,1,0,0|0,0,2]=3 1536 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [0,0,0,1,0,0|1,0,1]=3 1537 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [0,0,0,1,0,0|2,0,1]=4 1538 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [0,0,0,1,0,0|1,0,1]=3 1539 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [0,0,0,1,0,0|0,0,2]=3 1540 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [0,0,0,1,0,0|0,0,2]=3 1541 B7R1.12 NC(=O)C1CC1Br Amb27838278 [0,0,0,1,0,0|2,0,1]=4 1542 B7R1.12 NC(=O)C1CC1F Amb26026786 [0,0,0,1,0,0|2,0,1]=4 1543 B7R1.12 NC(=O)C1CC1N Amb18279694 [0,0,0,1,0,0|2,0,1]=4 1544 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F Amb27758752 [0,0,0,1,0,0|2,0,1]=4 1545 B7R1.12 NC(=O)[C@@H]1C[C@H]1F Amb27403700 [0,0,0,1,0,0|2,0,1]=4 1546 B7R1.12 NC1CC1C(=O)O Amb7762823 [0,0,0,1,0,0|1,0,1]=3 1547 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [0,0,0,1,0,0|1,0,1]=3 1548 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [0,0,0,1,0,0|1,0,1]=3 1549 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [0,0,0,1,0,0|1,0,0]=2 1550 B7R1.12 O=C(Cl)C1CC1Cl Amb27865442 [0,0,0,1,0,0|2,0,1]=4 1551 B7R1.12 O=C(Cl)C1CC1F Amb8389490 [0,0,0,1,0,0|2,0,1]=4 1552 B7R1.12 O=C(Cl)[C@@H]1C[C@@H]1Cl Amb28291528 [0,0,0,1,0,0|2,0,1]=4 1553 B7R1.12 O=C(Cl)[C@H]1C[C@@H]1F Amb22224871 [0,0,0,1,0,0|2,0,1]=4 1554 B7R1.12 O=C(O)C1CC1Br Amb27760446 [0,0,0,1,0,0|1,0,1]=3 1555 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [0,0,0,1,0,0|1,0,1]=3 1556 B7R1.12 O=C(O)C1CC1F Amb22490547 [0,0,0,1,0,0|1,0,1]=3 1557 B7R1.12 O=C(O)C1CC1I Amb26047069 [0,0,0,1,0,0|1,0,1]=3 1558 B7R1.12 O=C(O)C1CC1S Amb20246988 [0,0,0,1,0,0|0,1,1]=3 1559 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [0,0,0,1,0,0|1,0,1]=3 1560 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [0,0,0,1,0,0|1,0,1]=3 1561 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [0,0,0,1,0,0|1,0,1]=3 1562 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [0,0,0,1,0,0|1,0,1]=3 1563 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [0,0,0,1,0,0|1,0,1]=3 1564 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [0,0,0,1,0,0|1,0,1]=3 1565 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [0,0,0,1,0,0|1,0,1]=3 1566 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [0,0,0,1,0,0|1,0,1]=3 1567 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [0,0,0,1,0,0|1,0,1]=3 1568 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [0,0,0,1,0,0|1,0,1]=3 1569 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [0,0,0,1,0,0|1,0,1]=3 1570 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [0,0,0,1,0,0|1,0,1]=3 1571 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [0,0,0,1,0,0|1,0,1]=3 1572 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [0,0,0,1,0,0|1,0,1]=3 1573 B7R1.16 CC1(C)CC(=O)C1 Amb24117921 [0,0,0,1,0,0|2,0,1]=4 1574 B7R1.16 CC1(C)CC(=O)N1 Amb19515692 [0,0,0,1,0,0|2,0,1]=4 1575 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [0,0,0,1,0,0|1,0,1]=3 1576 B7R1.16 CC1(N)CC(=O)C1 Amb31308099 [0,0,0,1,0,0|2,0,1]=4 1577 B7R1.16 CC1(N)CC(=O)C1 Amb32675476 [0,0,0,1,0,0|2,0,1]=4 1578 B7R1.16 O=C1CC(Cl)(Cl)O1 Amb28120599 [0,0,0,1,0,0|2,0,1]=4 1579 B7R1.16 O=C1CC(F)(F)C1 Amb22388689 [0,0,0,1,0,0|2,0,1]=4 1580 B7R1.16 O=C1CS(=O)(=O)C1 Amb22756924 [0,0,0,1,0,0|1,0,1]=3 1581 B7R1.20 C=C(C)CC1CO1 Amb33199536 [0,0,0,1,0,0|2,0,1]=4 1582 B7R1.20 CC(=O)C=C1CC1 Amb28201596 [0,0,0,1,0,0|2,0,1]=4 1583 B7R1.20 CC(=O)CC1CC1 Amb10603417 [0,0,0,1,0,0|2,0,1]=4 1584 B7R1.20 CC(=O)OC1CO1 Amb25261586 [0,0,0,1,0,0|2,0,1]=4 1585 B7R1.20 NC(=O)CC1CC1 Amb33552967 [0,0,0,1,0,0|2,0,1]=4 1586 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [0,0,0,1,0,0|2,0,1]=4 1587 B7R1.20 O=C(O)C=C1CC1 Amb8392543 [0,0,0,1,0,0|1,0,1]=3 1588 B7R1.20 O=C(O)CC1CC1 Amb2686657 [0,0,0,1,0,0|1,0,1]=3 1589 B7R1.20 O=C(O)CC1CO1 Amb25244347 [0,0,0,1,0,0|0,0,2]=3 1590 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [0,0,0,1,0,0|0,0,2]=3 1591 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [0,0,0,1,0,0|0,0,2]=3 1592 B5R0.5 C=C(Br)C(=O)O Amb20620403 [0,0,0,0,1,0|1,0,1]=3 1593 B5R0.5 C=C(Br)C(C)=O Amb17593709 [0,0,0,0,1,0|2,0,0]=3 1594 B5R0.5 C=C(C)B(O)O Amb21857146 [0,0,0,0,1,0|2,0,1]=4 1595 B5R0.5 C=C(C)C(=C)C Amb8517589 [0,0,0,0,1,0|3,0,0]=4 1596 B5R0.5 C=C(C)C(=N)N Amb24683875 [0,0,0,0,1,0|3,0,0]=4 1597 B5R0.5 C=C(C)C(=O)Cl Amb534203 [0,0,0,0,1,0|2,0,0]=3 1598 B5R0.5 C=C(C)C(=O)O Amb6608998 [0,0,0,0,1,0|1,0,0]=2 1599 B5R0.5 C=C(C)C(C)=O Amb17593021 [0,0,0,0,1,0|2,0,0]=3 1600 B5R0.5 C=C(C)C(C)O Amb28282626 [0,0,0,0,1,0|2,0,1]=4 1601 B5R0.5 C=C(C)C(N)=O Amb6609019 [0,0,0,0,1,0|2,0,0]=3 1602 B5R0.5 C=C(C)C(N)=S Amb33200269 [0,0,0,0,1,0|2,1,0]=4 1603 B5R0.5 C=C(C)[C@@H](C)O Amb25834912 [0,0,0,0,1,0|2,0,1]=4 1604 B5R0.5 C=C(C)[C@H](C)O Amb25294556 [0,0,0,0,1,0|2,0,1]=4 1605 B5R0.5 C=C(Cl)C(=O)Cl Amb24478440 [0,0,0,0,1,0|2,0,1]=4 1606 B5R0.5 C=C(Cl)C(=O)O Amb17933971 [0,0,0,0,1,0|1,0,1]=3 1607 B5R0.5 C=C(Cl)C(C)=O Amb28284771 [0,0,0,0,1,0|2,0,0]=3 1608 B5R0.5 C=C(Cl)C(N)=O Amb28143568 [0,0,0,0,1,0|2,0,1]=4 1609 B5R0.5 C=C(F)C(=O)Cl Amb10838637 [0,0,0,0,1,0|2,0,1]=4 1610 B5R0.5 C=C(F)C(=O)O Amb2688008 [0,0,0,0,1,0|1,0,1]=3 1611 B5R0.5 C=C(F)C(=O)[O-] Amb22263484 [0,0,0,0,1,0|1,0,2]=4 1612 B5R0.5 C=C(F)C(=O)[O-] Amb33620428 [0,0,0,0,1,0|1,0,2]=4 1613 B5R0.5 C=C(F)C(C)=O Amb17593032 [0,0,0,0,1,0|2,0,0]=3 1614 B5R0.5 C=C(F)C(N)=O Amb25312034 [0,0,0,0,1,0|2,0,1]=4 1615 B5R0.5 CC(=O)C(=N)N Amb24409561 [0,0,0,0,1,0|2,0,0]=3 1616 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [0,0,0,0,1,0|1,0,0]=2 1617 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,0,0,1,0|0,0,0]=1 1618 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [0,0,0,0,1,0|0,0,1]=2 1619 B5R0.5 CC(=O)C(C)=O Amb6608675 [0,0,0,0,1,0|1,0,0]=2 1620 B5R0.5 CC(=O)C(C)=S Amb27632834 [0,0,0,0,1,0|1,1,0]=3 1621 B5R0.5 CC(=O)C(C)Br Amb8384405 [0,0,0,0,1,0|2,0,1]=4 1622 B5R0.5 CC(=O)C(C)C Amb4605987 [0,0,0,0,1,0|2,0,1]=4 1623 B5R0.5 CC(=O)C(C)Cl Amb9702838 [0,0,0,0,1,0|2,0,1]=4 1624 B5R0.5 CC(=O)C(C)F Amb10841897 [0,0,0,0,1,0|2,0,1]=4 1625 B5R0.5 CC(=O)C(C)I Amb28315734 [0,0,0,0,1,0|2,0,1]=4 1626 B5R0.5 CC(=O)C(C)N Amb17593029 [0,0,0,0,1,0|2,0,1]=4 1627 B5R0.5 CC(=O)C(C)N Amb19148817 [0,0,0,0,1,0|2,0,1]=4 1628 B5R0.5 CC(=O)C(C)O Amb6608962 [0,0,0,0,1,0|1,0,1]=3 1629 B5R0.5 CC(=O)C(C)S Amb8393169 [0,0,0,0,1,0|1,1,1]=4 1630 B5R0.5 CC(=O)C(Cl)Cl Amb6608776 [0,0,0,0,1,0|2,0,1]=4 1631 B5R0.5 CC(=O)C(F)Br Amb27165279 [0,0,0,0,1,0|2,0,1]=4 1632 B5R0.5 CC(=O)C(F)F Amb6888584 [0,0,0,0,1,0|2,0,1]=4 1633 B5R0.5 CC(=O)C(N)=O Amb17593028 [0,0,0,0,1,0|1,0,0]=2 1634 B5R0.5 CC(=O)C(N)=S Amb33528965 [0,0,0,0,1,0|1,1,0]=3 1635 B5R0.5 CC(=O)C(O)O Amb22436762 [0,0,0,0,1,0|0,0,2]=3 1636 B5R0.5 CC(=O)N(C)C Amb24323347 [0,0,0,0,1,0|3,0,0]=4 1637 B5R0.5 CC(=O)N(C)C Amb2793066 [0,0,0,0,1,0|3,0,0]=4 1638 B5R0.5 CC(=O)N(C)N Amb17593037 [0,0,0,0,1,0|3,0,0]=4 1639 B5R0.5 CC(=O)N(C)O Amb24066817 [0,0,0,0,1,0|2,0,0]=3 1640 B5R0.5 CC(=O)[C@@H](C)N Amb22748924 [0,0,0,0,1,0|2,0,1]=4 1641 B5R0.5 CC(=O)[C@H](C)N Amb26418661 [0,0,0,0,1,0|2,0,1]=4 1642 B5R0.5 CC(=S)C(=O)O Amb27424126 [0,0,0,0,1,0|0,1,0]=2 1643 B5R0.5 CC(Br)C(=O)Br Amb7969424 [0,0,0,0,1,0|2,0,1]=4 1644 B5R0.5 CC(Br)C(=O)Cl Amb6296592 [0,0,0,0,1,0|2,0,1]=4 1645 B5R0.5 CC(Br)C(=O)O Amb2795764 [0,0,0,0,1,0|1,0,1]=3 1646 B5R0.5 CC(Br)C(N)=O Amb2779903 [0,0,0,0,1,0|2,0,1]=4 1647 B5R0.5 CC(C)=C(C)Br Amb22228669 [0,0,0,0,1,0|3,0,0]=4 1648 B5R0.5 CC(C)=C(C)C Amb8513520 [0,0,0,0,1,0|3,0,0]=4 1649 B5R0.5 CC(C)C(=O)Br Amb22731066 [0,0,0,0,1,0|2,0,1]=4 1650 B5R0.5 CC(C)C(=O)Cl Amb3939052 [0,0,0,0,1,0|2,0,1]=4 1651 B5R0.5 CC(C)C(=O)F Amb25848493 [0,0,0,0,1,0|2,0,1]=4 1652 B5R0.5 CC(C)C(=O)I Amb26992316 [0,0,0,0,1,0|2,0,1]=4 1653 B5R0.5 CC(C)C(=O)O Amb3939822 [0,0,0,0,1,0|1,0,1]=3 1654 B5R0.5 CC(C)C(=O)S Amb33482574 [0,0,0,0,1,0|1,1,1]=4 1655 B5R0.5 CC(C)C(N)=O Amb1153145 [0,0,0,0,1,0|2,0,1]=4 1656 B5R0.5 CC(C)N(=O)O Amb33789630 [0,0,0,0,1,0|2,0,1]=4 1657 B5R0.5 CC(C)S(=O)O Amb27245066 [0,0,0,0,1,0|2,0,1]=4 1658 B5R0.5 CC(Cl)=C(Cl)Cl Amb22227671 [0,0,0,0,1,0|3,0,0]=4 1659 B5R0.5 CC(Cl)C(=O)Cl Amb9703139 [0,0,0,0,1,0|2,0,1]=4 1660 B5R0.5 CC(Cl)C(=O)F Amb27863699 [0,0,0,0,1,0|2,0,1]=4 1661 B5R0.5 CC(Cl)C(=O)O Amb3940363 [0,0,0,0,1,0|1,0,1]=3 1662 B5R0.5 CC(Cl)C(N)=O Amb9745753 [0,0,0,0,1,0|2,0,1]=4 1663 B5R0.5 CC(Cl)S(=O)O Amb27983761 [0,0,0,0,1,0|2,0,1]=4 1664 B5R0.5 CC(F)C(=O)O Amb10605770 [0,0,0,0,1,0|1,0,1]=3 1665 B5R0.5 CC(F)C(N)=O Amb28248497 [0,0,0,0,1,0|2,0,1]=4 1666 B5R0.5 CC(I)C(=O)O Amb26450528 [0,0,0,0,1,0|1,0,1]=3 1667 B5R0.5 CC(I)C(N)=O Amb25684673 [0,0,0,0,1,0|2,0,1]=4 1668 B5R0.5 CC(N)C(=O)O Amb32724352 [0,0,0,0,1,0|1,0,1]=3 1669 B5R0.5 CC(N)C(=O)O Amb5716847 [0,0,0,0,1,0|1,0,1]=3 1670 B5R0.5 CC(N)C(=O)S Amb27175379 [0,0,0,0,1,0|1,1,1]=4 1671 B5R0.5 CC(N)C(N)=O Amb21958673 [0,0,0,0,1,0|2,0,1]=4 1672 B5R0.5 CC(N)C(N)=O Amb33532935 [0,0,0,0,1,0|2,0,1]=4 1673 B5R0.5 CC(O)C(=O)O Amb9703100 [0,0,0,0,1,0|0,0,2]=3 1674 B5R0.5 CC(O)C(=O)[O-] Amb3499440 [0,0,0,0,1,0|0,0,3]=4 1675 B5R0.5 CC(O)C(=O)[O-] Amb9787591 [0,0,0,0,1,0|0,0,3]=4 1676 B5R0.5 CC(O)C(N)=O Amb6394657 [0,0,0,0,1,0|1,0,2]=4 1677 B5R0.5 CC(S)C(=O)O Amb6608753 [0,0,0,0,1,0|0,1,1]=3 1678 B5R0.5 CN(C)C(=O)Cl Amb2793056 [0,0,0,0,1,0|3,0,0]=4 1679 B5R0.5 CN(C)C(=O)O Amb22348477 [0,0,0,0,1,0|2,0,0]=3 1680 B5R0.5 CN(C)C(N)=O Amb2604398 [0,0,0,0,1,0|3,0,0]=4 1681 B5R0.5 CN(N)C(N)=O Amb27167382 [0,0,0,0,1,0|3,0,0]=4 1682 B5R0.5 C[C@@H](Br)C(=O)Br Amb27455066 [0,0,0,0,1,0|2,0,1]=4 1683 B5R0.5 C[C@@H](Br)C(=O)Cl Amb26395930 [0,0,0,0,1,0|2,0,1]=4 1684 B5R0.5 C[C@@H](Br)C(=O)O Amb8515030 [0,0,0,0,1,0|1,0,1]=3 1685 B5R0.5 C[C@@H](Cl)C(=O)Cl Amb28140701 [0,0,0,0,1,0|2,0,1]=4 1686 B5R0.5 C[C@@H](Cl)C(=O)O Amb2725594 [0,0,0,0,1,0|1,0,1]=3 1687 B5R0.5 C[C@@H](I)C(=O)O Amb27878762 [0,0,0,0,1,0|1,0,1]=3 1688 B5R0.5 C[C@@H](I)C(N)=O Amb27863419 [0,0,0,0,1,0|2,0,1]=4 1689 B5R0.5 C[C@@H](N)C(=O)O Amb3940457 [0,0,0,0,1,0|1,0,1]=3 1690 B5R0.5 C[C@@H](N)C(N)=O Amb2371905 [0,0,0,0,1,0|2,0,1]=4 1691 B5R0.5 C[C@@H](N)C(N)=O Amb2778751 [0,0,0,0,1,0|2,0,1]=4 1692 B5R0.5 C[C@@H](O)C(=O)Cl Amb28350419 [0,0,0,0,1,0|1,0,2]=4 1693 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [0,0,0,0,1,0|0,0,2]=3 1694 B5R0.5 C[C@@H](O)C(=O)[O-] Amb22350432 [0,0,0,0,1,0|0,0,3]=4 1695 B5R0.5 C[C@@H](O)C(=O)[O-] Amb8514494 [0,0,0,0,1,0|0,0,3]=4 1696 B5R0.5 C[C@@H](O)C(N)=O Amb3939680 [0,0,0,0,1,0|1,0,2]=4 1697 B5R0.5 C[C@H](Br)C(=O)O Amb8515029 [0,0,0,0,1,0|1,0,1]=3 1698 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [0,0,0,0,1,0|2,0,1]=4 1699 B5R0.5 C[C@H](Cl)C(=O)F Amb28138044 [0,0,0,0,1,0|2,0,1]=4 1700 B5R0.5 C[C@H](Cl)C(=O)O Amb17776586 [0,0,0,0,1,0|1,0,1]=3 1701 B5R0.5 C[C@H](F)C(=O)O Amb27216697 [0,0,0,0,1,0|1,0,1]=3 1702 B5R0.5 C[C@H](N)C(=O)O Amb33780861 [0,0,0,0,1,0|1,0,1]=3 1703 B5R0.5 C[C@H](N)C(=O)O Amb6298336 [0,0,0,0,1,0|1,0,1]=3 1704 B5R0.5 C[C@H](N)C(=O)S Amb28315892 [0,0,0,0,1,0|1,1,1]=4 1705 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [0,0,0,0,1,0|2,0,1]=4 1706 B5R0.5 C[C@H](N)C(N)=O Amb2371522 [0,0,0,0,1,0|2,0,1]=4 1707 B5R0.5 C[C@H](N)C(N)=O Amb2778752 [0,0,0,0,1,0|2,0,1]=4 1708 B5R0.5 C[C@H](N)C(N)=O Amb33822632 [0,0,0,0,1,0|2,0,1]=4 1709 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [0,0,0,0,1,0|0,0,2]=3 1710 B5R0.5 C[C@H](O)C(=O)[O-] Amb17772234 [0,0,0,0,1,0|0,0,3]=4 1711 B5R0.5 C[C@H](O)C(=O)[O-] Amb8515200 [0,0,0,0,1,0|0,0,3]=4 1712 B5R0.5 C[C@H](O)C(N)=O Amb3939676 [0,0,0,0,1,0|1,0,2]=4 1713 B5R0.5 C[C@H](S)C(=O)O Amb25147510 [0,0,0,0,1,0|0,1,1]=3 1714 B5R0.5 C\C(Br)=C(/C)Br Amb24741236 [0,0,0,0,1,0|3,0,0]=4 1715 B5R0.5 C\C(Br)=C(\C)Br Amb27263950 [0,0,0,0,1,0|3,0,0]=4 1716 B5R0.5 N=C(N)S(=O)O Amb6600572 [0,0,0,0,1,0|3,0,0]=4 1717 B5R0.5 N=C(S)C(=O)O Amb18640468 [0,0,0,0,1,0|1,1,0]=3 1718 B5R0.5 NC(=O)C(=O)O Amb32666615 [0,0,0,0,1,0|1,0,0]=2 1719 B5R0.5 NC(=O)C(=O)O Amb3940455 [0,0,0,0,1,0|1,0,0]=2 1720 B5R0.5 NC(=O)C(=O)[O-] Amb22053860 [0,0,0,0,1,0|1,0,1]=3 1721 B5R0.5 NC(=O)C(=O)[O-] Amb22730546 [0,0,0,0,1,0|1,0,1]=3 1722 B5R0.5 NC(=O)C(N)=O Amb3886526 [0,0,0,0,1,0|2,0,0]=3 1723 B5R0.5 NC(Br)C(=O)O Amb25724348 [0,0,0,0,1,0|2,0,1]=4 1724 B5R0.5 NC(O)C(=O)O Amb24663706 [0,0,0,0,1,0|1,0,2]=4 1725 B5R0.5 NC(S)C(=O)O Amb27253385 [0,0,0,0,1,0|1,1,1]=4 1726 B5R0.5 N[C@@H](S)C(=O)O Amb27788398 [0,0,0,0,1,0|1,1,1]=4 1727 B5R0.5 O=C(Br)C(=O)Br Amb8513454 [0,0,0,0,1,0|2,0,0]=3 1728 B5R0.5 O=C(Cl)C(=O)Cl Amb2793009 [0,0,0,0,1,0|2,0,0]=3 1729 B5R0.5 O=C(F)C(=O)F Amb10840380 [0,0,0,0,1,0|2,0,0]=3 1730 B5R0.5 O=C(O)C(=O)Br Amb27863598 [0,0,0,0,1,0|1,0,0]=2 1731 B5R0.5 O=C(O)C(=O)O Amb10608980 [0,0,0,0,1,0|1,0,0]=2 1732 B5R0.5 O=C(O)C(=O)O Amb19374136 [0,0,0,0,1,0|1,0,0]=2 1733 B5R0.5 O=C(O)C(=O)O Amb22231343 [0,0,0,0,1,0|1,0,0]=2 1734 B5R0.5 O=C(O)C(=O)O Amb22394874 [0,0,0,0,1,0|1,0,0]=2 1735 B5R0.5 O=C(O)C(=O)O Amb22436461 [0,0,0,0,1,0|1,0,0]=2 1736 B5R0.5 O=C(O)C(=O)O Amb7755827 [0,0,0,0,1,0|1,0,0]=2 1737 B5R0.5 O=C(O)C(=O)O Amb8513282 [0,0,0,0,1,0|1,0,0]=2 1738 B5R0.5 O=C(O)C(Br)I Amb17610018 [0,0,0,0,1,0|2,0,1]=4 1739 B5R0.5 O=C(O)C(Cl)Cl Amb6891960 [0,0,0,0,1,0|2,0,1]=4 1740 B5R0.5 O=C(O)C(Cl)I Amb17610937 [0,0,0,0,1,0|2,0,1]=4 1741 B5R0.5 O=C(O)C(F)Br Amb10841090 [0,0,0,0,1,0|2,0,1]=4 1742 B5R0.5 O=C(O)C(F)Cl Amb10838714 [0,0,0,0,1,0|2,0,1]=4 1743 B5R0.5 O=C(O)C(F)F Amb1953492 [0,0,0,0,1,0|2,0,1]=4 1744 B5R0.5 O=C(O)C(F)I Amb10838458 [0,0,0,0,1,0|2,0,1]=4 1745 B5R0.5 O=C(O)C(I)I Amb17612865 [0,0,0,0,1,0|2,0,1]=4 1746 B5R0.5 O=C(O)C(O)O Amb6608986 [0,0,0,0,1,0|1,0,2]=4 1747 B5R0.5 O=C(O)[C@@H](F)Cl Amb26559563 [0,0,0,0,1,0|2,0,1]=4 1748 B5R0.5 O=C(O)[C@@H](F)I Amb27827825 [0,0,0,0,1,0|2,0,1]=4 1749 B5R0.5 O=C(O)[C@H](F)Br Amb28200717 [0,0,0,0,1,0|2,0,1]=4 1750 B5R0.5 O=C([O-])C(=O)[O-] Amb17943075 [0,0,0,0,1,0|1,0,1]=3 1751 B5R0.5 O=C([O-])C(=O)[O-] Amb21963194 [0,0,0,0,1,0|1,0,1]=3 1752 B5R0.5 O=C([O-])C(=O)[O-] Amb22002099 [0,0,0,0,1,0|1,0,1]=3 1753 B5R0.5 O=C([O-])C(=O)[O-] Amb22045394 [0,0,0,0,1,0|1,0,1]=3 1754 B5R0.5 O=C([O-])C(=O)[O-] Amb22053543 [0,0,0,0,1,0|1,0,1]=3 1755 B5R0.5 O=C([O-])C(=O)[O-] Amb22053547 [0,0,0,0,1,0|1,0,1]=3 1756 B5R0.5 O=C([O-])C(=O)[O-] Amb8514326 [0,0,0,0,1,0|1,0,1]=3 1757 B5R0.5 O=C([O-])C(=O)[O-] Amb8514363 [0,0,0,0,1,0|1,0,1]=3 1758 B5R0.5 O=C([O-])C(=O)[O-] Amb8514364 [0,0,0,0,1,0|1,0,1]=3 1759 B5R0.5 O=C([O-])C(O)O Amb33512886 [0,0,0,0,1,0|1,0,2]=4 1760 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,1,0|1,1,0]=3 1761 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,0,0,0,0,1|1,0,1]=3 1762 B7R0.6 C=C(Br)CNC(N)=O Amb27956072 [0,0,0,0,0,1|2,0,1]=4 1763 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [0,0,0,0,0,1|1,0,2]=4 1764 B7R0.6 C=C(C)C#CC(C)=O Amb28316172 [0,0,0,0,0,1|2,0,1]=4 1765 B7R0.6 C=C(C)CCB(O)O Amb28316164 [0,0,0,0,0,1|2,0,1]=4 1766 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,0,0,0,0,1|1,0,0]=2 1767 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [0,0,0,0,0,1|2,0,0]=3 1768 B7R0.6 C=C(C)CCC(C)O Amb24062974 [0,0,0,0,0,1|2,0,1]=4 1769 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [0,0,0,0,0,1|2,0,0]=3 1770 B7R0.6 C=C(C)CC[C@@H](C)O Amb22896943 [0,0,0,0,0,1|2,0,1]=4 1771 B7R0.6 C=C(C)CC[C@H](C)O Amb26446405 [0,0,0,0,0,1|2,0,1]=4 1772 B7R0.6 C=C(C)CC[N+](=O)[O-] Amb33199531 [0,0,0,0,0,1|2,0,1]=4 1773 B7R0.6 C=C(C)CNC(N)=O Amb28385347 [0,0,0,0,0,1|2,0,0]=3 1774 B7R0.6 C=C(C)CNC(N)=S Amb19372825 [0,0,0,0,0,1|2,1,0]=4 1775 B7R0.6 C=C(C)CNC(O)=S Amb28240718 [0,0,0,0,0,1|1,1,0]=3 1776 B7R0.6 C=C(C)CNS(C)=O Amb27245040 [0,0,0,0,0,1|3,0,0]=4 1777 B7R0.6 C=C(C)COC(C)=O Amb16187121 [0,0,0,0,0,1|2,0,0]=3 1778 B7R0.6 C=C(C)COC(N)=O Amb4017509 [0,0,0,0,0,1|2,0,0]=3 1779 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,0,0,0,0,1|1,0,0]=2 1780 B7R0.6 C=C(C)OCC(C)=O Amb27802616 [0,0,0,0,0,1|2,0,0]=3 1781 B7R0.6 C=C(C)\C=C/C(C)=O Amb28061353 [0,0,0,0,0,1|2,0,1]=4 1782 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,1|1,0,1]=3 1783 B7R0.6 C=C(C)\C=C\C(C)=O Amb33172526 [0,0,0,0,0,1|2,0,1]=4 1784 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,0,0,0,0,1|1,0,1]=3 1785 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [0,0,0,0,0,1|2,0,0]=3 1786 B7R0.6 C=C(Cl)COC(C)=O Amb24744447 [0,0,0,0,0,1|2,0,0]=3 1787 B7R0.6 C=C(Cl)CSC(C)=O Amb21960981 [0,0,0,0,0,1|2,0,0]=3 1788 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,0,0,0,0,1|1,0,1]=3 1789 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [0,0,0,0,0,1|0,0,3]=4 1790 B7R0.6 CC(=N)NCC(N)=O Amb27601983 [0,0,0,0,0,1|2,0,0]=3 1791 B7R0.6 CC(=O)C#C[C@@H](C)O Amb27854924 [0,0,0,0,0,1|1,0,2]=4 1792 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [0,0,0,0,0,1|2,0,0]=3 1793 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,0,0,0,0,1|1,0,1]=3 1794 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,0,0,0,0,1|0,0,0]=1 1795 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [0,0,0,0,0,1|1,1,0]=3 1796 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,0,0,0,0,1|1,0,0]=2 1797 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [0,0,0,0,0,1|1,1,0]=3 1798 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [0,0,0,0,0,1|2,0,1]=4 1799 B7R0.6 CC(=O)CCC(C)C Amb4605991 [0,0,0,0,0,1|2,0,1]=4 1800 B7R0.6 CC(=O)CCC(C)O Amb25829594 [0,0,0,0,0,1|1,0,1]=3 1801 B7R0.6 CC(=O)CCC(F)F Amb27413848 [0,0,0,0,0,1|2,0,1]=4 1802 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,0,0,0,0,1|1,0,0]=2 1803 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,0,0,0,0,1|0,1,0]=2 1804 B7R0.6 CC(=O)CCN(C)C Amb1129203 [0,0,0,0,0,1|3,0,0]=4 1805 B7R0.6 CC(=O)CCN(C)C Amb343601 [0,0,0,0,0,1|3,0,0]=4 1806 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [0,0,0,0,0,1|1,0,1]=3 1807 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [0,0,0,0,0,1|1,0,1]=3 1808 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,0,0,0,0,1|1,0,0]=2 1809 B7R0.6 CC(=O)CNC(C)C Amb28126943 [0,0,0,0,0,1|2,0,1]=4 1810 B7R0.6 CC(=O)CNC(C)C Amb32661638 [0,0,0,0,0,1|2,0,1]=4 1811 B7R0.6 CC(=O)CNS(C)=O Amb27243778 [0,0,0,0,0,1|2,0,0]=3 1812 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,0,0,0,0,1|1,0,0]=2 1813 B7R0.6 CC(=O)COC(C)C Amb9665256 [0,0,0,0,0,1|2,0,1]=4 1814 B7R0.6 CC(=O)COC(F)F Amb27636211 [0,0,0,0,0,1|2,0,1]=4 1815 B7R0.6 CC(=O)COP(Cl)Cl Amb28048984 [0,0,0,0,0,1|3,0,0]=4 1816 B7R0.6 CC(=O)CSC(C)C Amb22549127 [0,0,0,0,0,1|2,0,1]=4 1817 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [0,0,0,0,0,1|2,0,0]=3 1818 B7R0.6 CC(=O)NC=C(Cl)Cl Amb2793550 [0,0,0,0,0,1|2,0,1]=4 1819 B7R0.6 CC(=O)NCB(O)O Amb8392097 [0,0,0,0,0,1|1,0,1]=3 1820 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,1|0,0,0]=1 1821 B7R0.6 CC(=O)NCC(C)C Amb3364211 [0,0,0,0,0,1|2,0,1]=4 1822 B7R0.6 CC(=O)NCC(C)N Amb18631377 [0,0,0,0,0,1|2,0,1]=4 1823 B7R0.6 CC(=O)NCC(C)O Amb9276316 [0,0,0,0,0,1|1,0,1]=3 1824 B7R0.6 CC(=O)NCC(Cl)Cl Amb27978268 [0,0,0,0,0,1|2,0,1]=4 1825 B7R0.6 CC(=O)NCC(F)F Amb27961410 [0,0,0,0,0,1|2,0,1]=4 1826 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,0,0,0,0,1|1,0,0]=2 1827 B7R0.6 CC(=O)NCC(N)=S Amb17231879 [0,0,0,0,0,1|1,1,0]=3 1828 B7R0.6 CC(=O)NCN(C)C Amb27838840 [0,0,0,0,0,1|3,0,0]=4 1829 B7R0.6 CC(=O)NN=C(C)C Amb1047247 [0,0,0,0,0,1|3,0,0]=4 1830 B7R0.6 CC(=O)NNC(=N)N Amb26503440 [0,0,0,0,0,1|3,0,0]=4 1831 B7R0.6 CC(=O)NNC(C)=O Amb8516143 [0,0,0,0,0,1|2,0,0]=3 1832 B7R0.6 CC(=O)NNC(N)=S Amb2543737 [0,0,0,0,0,1|2,1,0]=4 1833 B7R0.6 CC(=O)N\N=C(/C)N Amb26548898 [0,0,0,0,0,1|3,0,0]=4 1834 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,0,0,0,0,1|1,0,0]=2 1835 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,1|0,0,0]=1 1836 B7R0.6 CC(=O)OCC(C)Br Amb25360690 [0,0,0,0,0,1|2,0,1]=4 1837 B7R0.6 CC(=O)OCC(C)O Amb24056158 [0,0,0,0,0,1|1,0,1]=3 1838 B7R0.6 CC(=O)OCC(F)F Amb10839327 [0,0,0,0,0,1|2,0,1]=4 1839 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,1|1,0,0]=2 1840 B7R0.6 CC(=O)OCC(N)=S Amb9677330 [0,0,0,0,0,1|1,1,0]=3 1841 B7R0.6 CC(=O)OC[C@H](C)Br Amb27878701 [0,0,0,0,0,1|2,0,1]=4 1842 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [0,0,0,0,0,1|1,0,1]=3 1843 B7R0.6 CC(=O)ON=C(C)C Amb2781649 [0,0,0,0,0,1|3,0,0]=4 1844 B7R0.6 CC(=O)ONC(N)=O Amb28456585 [0,0,0,0,0,1|2,0,0]=3 1845 B7R0.6 CC(=O)O\N=C(/C)N Amb28145058 [0,0,0,0,0,1|3,0,0]=4 1846 B7R0.6 CC(=O)SCB(O)O Amb27456620 [0,0,0,0,0,1|1,0,1]=3 1847 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,1|1,0,0]=2 1848 B7R0.6 CC(=O)SCC(C)O Amb27801534 [0,0,0,0,0,1|1,0,1]=3 1849 B7R0.6 CC(=O)SCC(Cl)Cl Amb4012737 [0,0,0,0,0,1|2,0,1]=4 1850 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,1|1,0,0]=2 1851 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,1|2,0,0]=3 1852 B7R0.6 CC(=O)\C=C/C(O)O Amb27834325 [0,0,0,0,0,1|0,0,3]=4 1853 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,0,0,0,0,1|0,0,1]=2 1854 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [0,0,0,0,0,1|1,0,1]=3 1855 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,1|1,0,1]=3 1856 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,0,0,0,0,1|0,0,1]=2 1857 B7R0.6 CC(=O)\N=C\C(C)O Amb27457691 [0,0,0,0,0,1|1,0,2]=4 1858 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,0,0,0,0,1|0,1,0]=2 1859 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,0,0,0,0,1|0,1,0]=2 1860 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [0,0,0,0,0,1|1,0,1]=3 1861 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,0,0,0,0,1|1,0,0]=2 1862 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [0,0,0,0,0,1|1,0,1]=3 1863 B7R0.6 CC(C)=CC[C@@H](C)O Amb28315798 [0,0,0,0,0,1|2,0,1]=4 1864 B7R0.6 CC(C)=NCC(N)=O Amb27489401 [0,0,0,0,0,1|2,0,0]=3 1865 B7R0.6 CC(C)=NNC(N)=O Amb6366342 [0,0,0,0,0,1|3,0,0]=4 1866 B7R0.6 CC(C)C#CC(=O)O Amb33544341 [0,0,0,0,0,1|1,0,2]=4 1867 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [0,0,0,0,0,1|2,0,1]=4 1868 B7R0.6 CC(C)CCC(=O)O Amb1153016 [0,0,0,0,0,1|1,0,1]=3 1869 B7R0.6 CC(C)CCC(N)=O Amb8997711 [0,0,0,0,0,1|2,0,1]=4 1870 B7R0.6 CC(C)CNC(=O)Cl Amb35637064 [0,0,0,0,0,1|2,0,1]=4 1871 B7R0.6 CC(C)CNC(N)=O Amb1151241 [0,0,0,0,0,1|2,0,1]=4 1872 B7R0.6 CC(C)CNC(O)=S Amb27597328 [0,0,0,0,0,1|1,1,1]=4 1873 B7R0.6 CC(C)COC(=O)Cl Amb3940231 [0,0,0,0,0,1|2,0,1]=4 1874 B7R0.6 CC(C)COC(N)=O Amb4020010 [0,0,0,0,0,1|2,0,1]=4 1875 B7R0.6 CC(C)CON(=O)O Amb33780821 [0,0,0,0,0,1|2,0,1]=4 1876 B7R0.6 CC(C)CO[PH](=O)O Amb27252350 [0,0,0,0,0,1|2,0,1]=4 1877 B7R0.6 CC(C)CSC(=O)Cl Amb22337028 [0,0,0,0,0,1|2,0,1]=4 1878 B7R0.6 CC(C)NCC(=O)Cl Amb27441169 [0,0,0,0,0,1|2,0,1]=4 1879 B7R0.6 CC(C)NCC(=O)O Amb2372347 [0,0,0,0,0,1|1,0,1]=3 1880 B7R0.6 CC(C)NCC(=O)O Amb6892753 [0,0,0,0,0,1|1,0,1]=3 1881 B7R0.6 CC(C)NCC(N)=O Amb2370772 [0,0,0,0,0,1|2,0,1]=4 1882 B7R0.6 CC(C)NCC(N)=O Amb399843 [0,0,0,0,0,1|2,0,1]=4 1883 B7R0.6 CC(C)OCC(=O)Cl Amb28041673 [0,0,0,0,0,1|2,0,1]=4 1884 B7R0.6 CC(C)OCC(=O)O Amb6275796 [0,0,0,0,0,1|1,0,1]=3 1885 B7R0.6 CC(C)OCC(N)=O Amb26515707 [0,0,0,0,0,1|2,0,1]=4 1886 B7R0.6 CC(C)SCC(=O)O Amb1128460 [0,0,0,0,0,1|1,0,1]=3 1887 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [0,0,0,0,0,1|1,0,2]=4 1888 B7R0.6 CC(Cl)C#CC(=O)O Amb28410751 [0,0,0,0,0,1|1,0,2]=4 1889 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,0,0,0,0,1|2,0,1]=4 1890 B7R0.6 CC(I)CCC(=O)O Amb25938596 [0,0,0,0,0,1|1,0,1]=3 1891 B7R0.6 CC(N)C#CC(=O)O Amb27876109 [0,0,0,0,0,1|1,0,2]=4 1892 B7R0.6 CC(N)CCC(=O)O Amb17593212 [0,0,0,0,0,1|1,0,1]=3 1893 B7R0.6 CC(N)CCC(=O)O Amb19515603 [0,0,0,0,0,1|1,0,1]=3 1894 B7R0.6 CC(N)CCS(=O)O Amb27839082 [0,0,0,0,0,1|2,0,1]=4 1895 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [0,0,0,0,0,1|2,0,1]=4 1896 B7R0.6 CC(N)CNC(N)=O Amb18202688 [0,0,0,0,0,1|2,0,1]=4 1897 B7R0.6 CC(N)COC(N)=O Amb29849466 [0,0,0,0,0,1|2,0,1]=4 1898 B7R0.6 CC(N)SCC(=O)O Amb27401691 [0,0,0,0,0,1|1,0,1]=3 1899 B7R0.6 CC(N)\C=C\C(=O)O Amb33804531 [0,0,0,0,0,1|1,0,2]=4 1900 B7R0.6 CC(O)C#CC(=O)O Amb27803065 [0,0,0,0,0,1|0,0,3]=4 1901 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,0,0,0,0,1|0,0,2]=3 1902 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [0,0,0,0,0,1|0,0,3]=4 1903 B7R0.6 CC(O)COC(N)=O Amb26359577 [0,0,0,0,0,1|1,0,2]=4 1904 B7R0.6 CC(O)COS(C)=O Amb27982299 [0,0,0,0,0,1|2,0,1]=4 1905 B7R0.6 CC(S)CCC(=O)O Amb8471198 [0,0,0,0,0,1|0,1,1]=3 1906 B7R0.6 CC(S)CCC(N)=O Amb28399630 [0,0,0,0,0,1|1,1,1]=4 1907 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [0,0,0,0,0,1|3,0,0]=4 1908 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [0,0,0,0,0,1|3,0,0]=4 1909 B7R0.6 CN(C)CCC(=O)O Amb19888182 [0,0,0,0,0,1|2,0,0]=3 1910 B7R0.6 CN(C)CCC(=O)O Amb6633385 [0,0,0,0,0,1|2,0,0]=3 1911 B7R0.6 CN(C)CCC(N)=O Amb17231825 [0,0,0,0,0,1|3,0,0]=4 1912 B7R0.6 CN(C)OCC(=O)O Amb28120004 [0,0,0,0,0,1|2,0,0]=3 1913 B7R0.6 CN(C)SCC(N)=O Amb27838357 [0,0,0,0,0,1|3,0,0]=4 1914 B7R0.6 CN(C)\C=C\C(=O)O Amb25273624 [0,0,0,0,0,1|2,0,1]=4 1915 B7R0.6 CN(N)CCC(=O)O Amb2698078 [0,0,0,0,0,1|2,0,0]=3 1916 B7R0.6 CN(O)CCC(N)=O Amb27390605 [0,0,0,0,0,1|2,0,1]=4 1917 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [0,0,0,0,0,1|1,0,2]=4 1918 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,0,0,0,0,1|1,0,0]=2 1919 B7R0.6 CS(=O)CCS(C)=O Amb26455659 [0,0,0,0,0,1|3,0,0]=4 1920 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,0,0,0,0,1|1,0,0]=2 1921 B7R0.6 CS(=O)\C=C/C(N)=O Amb27815054 [0,0,0,0,0,1|2,0,1]=4 1922 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [0,0,0,0,0,1|1,0,1]=3 1923 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [0,0,0,0,0,1|1,0,1]=3 1924 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [0,0,0,0,0,1|1,0,1]=3 1925 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [0,0,0,0,0,1|1,0,2]=4 1926 B7R0.6 C[C@H](N)C#CC(=O)O Amb27644755 [0,0,0,0,0,1|1,0,2]=4 1927 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [0,0,0,0,0,1|1,0,1]=3 1928 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [0,0,0,0,0,1|1,0,1]=3 1929 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,0,0,0,0,1|0,0,2]=3 1930 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [0,0,0,0,0,1|0,1,1]=3 1931 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [0,0,0,0,0,1|2,0,0]=3 1932 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [0,0,0,0,0,1|2,0,1]=4 1933 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [0,0,0,0,0,1|2,0,0]=3 1934 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,0,0,0,0,1|1,0,0]=2 1935 B7R0.6 C\C(Cl)=N\OC(N)=O Amb27409950 [0,0,0,0,0,1|3,0,0]=4 1936 B7R0.6 C\C(N)=N/C[C@H](C)O Amb28049584 [0,0,0,0,0,1|2,0,1]=4 1937 B7R0.6 C\C(O)=N\NC(N)=O Amb17777869 [0,0,0,0,0,1|2,0,1]=4 1938 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [0,0,0,0,0,1|3,0,0]=4 1939 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,0,0,0,0,1|2,0,0]=3 1940 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,0,0,0,0,1|2,0,0]=3 1941 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,0,0,0,0,1|2,0,0]=3 1942 B7R0.6 N=C(N)SCC(N)=O Amb22261500 [0,0,0,0,0,1|3,0,0]=4 1943 B7R0.6 NC(=O)C#CC(N)=O Amb6366606 [0,0,0,0,0,1|2,0,1]=4 1944 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,0,0,0,0,1|2,0,0]=3 1945 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,0,0,0,0,1|1,0,0]=2 1946 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,0,0,0,0,1|2,0,0]=3 1947 B7R0.6 NC(=O)CCC(O)O Amb27254204 [0,0,0,0,0,1|1,0,2]=4 1948 B7R0.6 NC(=O)CNC(N)=S Amb9212104 [0,0,0,0,0,1|2,1,0]=4 1949 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,0,0,0,0,1|2,0,0]=3 1950 B7R0.6 NC(=O)CSC(N)=S Amb27642551 [0,0,0,0,0,1|2,1,0]=4 1951 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,0,0,0,0,1|1,0,0]=2 1952 B7R0.6 NC(=O)NNC(N)=O Amb6366265 [0,0,0,0,0,1|3,0,0]=4 1953 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,0,0,0,0,1|1,0,1]=3 1954 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [0,0,0,0,0,1|2,0,1]=4 1955 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,0,0,0,0,1|1,0,1]=3 1956 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [0,0,0,0,0,1|2,0,1]=4 1957 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,0,0,0,0,1|1,0,1]=3 1958 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,0,0,0,0,1|1,1,0]=3 1959 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,0,0,0,0,1|1,1,0]=3 1960 B7R0.6 NC(=[NH2+])NCC(=O)[O-] Amb4244207 [0,0,0,0,0,1|2,0,1]=4 1961 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,0,0,0,0,1|2,0,0]=3 1962 B7R0.6 O=C(Cl)SSC(=O)Cl Amb33465476 [0,0,0,0,0,1|3,0,0]=4 1963 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [0,0,0,0,0,1|2,0,1]=4 1964 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,0,0,0,0,1|1,0,1]=3 1965 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,1|2,0,0]=3 1966 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,0,0,0,0,1|2,0,1]=4 1967 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,0,0,0,0,1|1,0,0]=2 1968 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,0,0,0,0,1|1,0,0]=2 1969 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [0,0,0,0,0,1|2,0,1]=4 1970 B7R0.6 O=C(O)CCC(F)F Amb20623135 [0,0,0,0,0,1|2,0,1]=4 1971 B7R0.6 O=C(O)CCN(F)F Amb28370344 [0,0,0,0,0,1|3,0,0]=4 1972 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,0,0,0,0,1|2,0,1]=4 1973 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,0,0,0,0,1|2,0,0]=3 1974 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,0,0,0,0,1|2,0,0]=3 1975 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,0,0,0,0,1|2,0,0]=3 1976 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,0,0,0,0,1|1,0,0]=2 1977 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,0,0,0,0,1|2,0,0]=3 1978 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,0,0,0,0,1|1,0,0]=2 1979 B7R0.6 O=C(O)COC(F)F Amb26635492 [0,0,0,0,0,1|2,0,1]=4 1980 B7R0.6 O=C(O)CSC(F)F Amb9215372 [0,0,0,0,0,1|2,0,1]=4 1981 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,0,0,0,0,1|1,0,1]=3 1982 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,0,0,0,0,1|1,0,1]=3 1983 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,0,0,0,0,1|1,0,1]=3 1984 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,0,0,0,0,1|1,0,1]=3 1985 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,0,0,0,0,1|1,0,1]=3 1986 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [0,0,0,0,0,1|2,0,1]=4 1987 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,0,0,0,0,1|1,0,1]=3 1988 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,0,0,0,0,1|1,0,1]=3 1989 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,0,0,0,0,1|1,0,1]=3 1990 B7R0.6 O=C([O-])C#CC(=O)[O-] Amb29844449 [0,0,0,0,0,1|1,0,2]=4 1991 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,0,0,0,0,1|1,0,1]=3 1992 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,0,0,0,0,1|1,0,1]=3 1993 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,0,0,0,0,1|1,0,1]=3 1994 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,0,0,0,0,1|1,0,1]=3 1995 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [0,0,0,0,0,1|1,0,2]=4 1996 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [0,0,0,0,0,1|1,0,2]=4 1997 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [0,0,0,0,0,1|1,0,2]=4 1998 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,0,0,0,0,1|1,0,0]=2 1999 B4R0.1 C#CC(=O)O Amb6600128 [2,0,0,0,0,0|0,0,2]=4 2000 B4R0.1 C#CC(C)=O Amb2685717 [2,0,0,0,0,0|0,0,2]=4 2001 B4R0.1 C=C(Br)C=O Amb33546871 [2,0,0,0,0,0|1,0,1]=4 2002 B4R0.1 C=C(Br)CO Amb33535555 [2,0,0,0,0,0|1,0,1]=4 2003 B4R0.1 C=C(C)C=O Amb3941638 [2,0,0,0,0,0|1,0,0]=3 2004 B4R0.1 C=C(C)CBr Amb33531183 [2,0,0,0,0,0|2,0,0]=4 2005 B4R0.1 C=C(C)CCl Amb2792918 [2,0,0,0,0,0|2,0,0]=4 2006 B4R0.1 C=C(C)CF Amb26019368 [2,0,0,0,0,0|2,0,0]=4 2007 B4R0.1 C=C(C)CI Amb26588956 [2,0,0,0,0,0|2,0,0]=4 2008 B4R0.1 C=C(C)CN Amb17749039 [2,0,0,0,0,0|2,0,0]=4 2009 B4R0.1 C=C(C)CO Amb8513444 [2,0,0,0,0,0|1,0,0]=3 2010 B4R0.1 C=C(C)CS Amb19888160 [2,0,0,0,0,0|1,1,0]=4 2011 B4R0.1 C=C(Cl)C=O Amb26318564 [2,0,0,0,0,0|1,0,1]=4 2012 B4R0.1 C=C(Cl)CC Amb22228725 [2,0,0,0,0,0|2,0,0]=4 2013 B4R0.1 C=C(Cl)CO Amb9277799 [2,0,0,0,0,0|1,0,1]=4 2014 B4R0.1 C=C(F)C=O Amb27403515 [2,0,0,0,0,0|1,0,1]=4 2015 B4R0.1 C=C(F)CO Amb22008254 [2,0,0,0,0,0|1,0,1]=4 2016 B4R0.1 C=C(I)C=O Amb25747223 [2,0,0,0,0,0|1,0,1]=4 2017 B4R0.1 C=C(I)CO Amb27762751 [2,0,0,0,0,0|1,0,1]=4 2018 B4R0.1 C=CC(=O)Cl Amb17942845 [2,0,0,0,0,0|1,0,1]=4 2019 B4R0.1 C=CC(=O)O Amb2792871 [2,0,0,0,0,0|0,0,1]=3 2020 B4R0.1 C=CC(=O)[O-] Amb17942810 [2,0,0,0,0,0|0,0,2]=4 2021 B4R0.1 C=CC(=O)[O-] Amb22167662 [2,0,0,0,0,0|0,0,2]=4 2022 B4R0.1 C=CC(C)=O Amb6608725 [2,0,0,0,0,0|0,0,1]=3 2023 B4R0.1 C=CC(N)=O Amb3940456 [2,0,0,0,0,0|1,0,1]=4 2024 B4R0.1 CC(=N)NO Amb22232230 [2,0,0,0,0,0|2,0,0]=4 2025 B4R0.1 CC(=O)C#N Amb17231798 [2,0,0,0,0,0|1,0,1]=4 2026 B4R0.1 CC(=O)C=O Amb3940421 [2,0,0,0,0,0|0,0,0]=2 2027 B4R0.1 CC(=O)C=S Amb28118569 [2,0,0,0,0,0|0,1,0]=3 2028 B4R0.1 CC(=O)CBr Amb6673867 [2,0,0,0,0,0|1,0,0]=3 2029 B4R0.1 CC(=O)CCl Amb2792923 [2,0,0,0,0,0|1,0,0]=3 2030 B4R0.1 CC(=O)CI Amb22831972 [2,0,0,0,0,0|1,0,0]=3 2031 B4R0.1 CC(=O)CN Amb10603379 [2,0,0,0,0,0|1,0,0]=3 2032 B4R0.1 CC(=O)CN Amb22489444 [2,0,0,0,0,0|1,0,0]=3 2033 B4R0.1 CC(=O)CN Amb8393368 [2,0,0,0,0,0|1,0,0]=3 2034 B4R0.1 CC(=O)CO Amb2404925 [2,0,0,0,0,0|0,0,0]=2 2035 B4R0.1 CC(=O)CS Amb19148935 [2,0,0,0,0,0|0,1,0]=3 2036 B4R0.1 CC(=O)NBr Amb17672559 [2,0,0,0,0,0|2,0,0]=4 2037 B4R0.1 CC(=O)NCl Amb17939326 [2,0,0,0,0,0|2,0,0]=4 2038 B4R0.1 CC(=O)NI Amb28247845 [2,0,0,0,0,0|2,0,0]=4 2039 B4R0.1 CC(=O)NN Amb1153969 [2,0,0,0,0,0|2,0,0]=4 2040 B4R0.1 CC(=O)NO Amb2781575 [2,0,0,0,0,0|1,0,0]=3 2041 B4R0.1 CC(=O)OCl Amb28074273 [2,0,0,0,0,0|2,0,0]=4 2042 B4R0.1 CC(=O)OO Amb8517283 [2,0,0,0,0,0|1,0,0]=3 2043 B4R0.1 CC(=S)CI Amb28131646 [2,0,0,0,0,0|1,1,0]=4 2044 B4R0.1 CC(Br)C=O Amb8395192 [2,0,0,0,0,0|1,0,1]=4 2045 B4R0.1 CC(Br)CO Amb28145838 [2,0,0,0,0,0|1,0,1]=4 2046 B4R0.1 CC(C)=C=O Amb17672588 [2,0,0,0,0,0|1,0,1]=4 2047 B4R0.1 CC(C)=CBr Amb10067297 [2,0,0,0,0,0|2,0,0]=4 2048 B4R0.1 CC(C)=CN Amb27597410 [2,0,0,0,0,0|2,0,0]=4 2049 B4R0.1 CC(C)=NO Amb4136362 [2,0,0,0,0,0|2,0,0]=4 2050 B4R0.1 CC(C)C=O Amb3939852 [2,0,0,0,0,0|1,0,1]=4 2051 B4R0.1 CC(C)CO Amb3939148 [2,0,0,0,0,0|1,0,1]=4 2052 B4R0.1 CC(Cl)C=O Amb10603585 [2,0,0,0,0,0|1,0,1]=4 2053 B4R0.1 CC(Cl)CO Amb20623180 [2,0,0,0,0,0|1,0,1]=4 2054 B4R0.1 CC(F)C=O Amb28366193 [2,0,0,0,0,0|1,0,1]=4 2055 B4R0.1 CC(F)CO Amb8393922 [2,0,0,0,0,0|1,0,1]=4 2056 B4R0.1 CC(N)C=O Amb24476907 [2,0,0,0,0,0|1,0,1]=4 2057 B4R0.1 CC(N)CO Amb9703231 [2,0,0,0,0,0|1,0,1]=4 2058 B4R0.1 CC(O)C=O Amb24477285 [2,0,0,0,0,0|0,0,2]=4 2059 B4R0.1 CC(O)CO Amb6608977 [2,0,0,0,0,0|0,0,2]=4 2060 B4R0.1 CC(S)C=O Amb25799633 [2,0,0,0,0,0|0,1,1]=4 2061 B4R0.1 CC(S)CO Amb19375527 [2,0,0,0,0,0|0,1,1]=4 2062 B4R0.1 CC=C(Br)Br Amb22733606 [2,0,0,0,0,0|2,0,0]=4 2063 B4R0.1 CC=C(C)C Amb8513245 [2,0,0,0,0,0|2,0,0]=4 2064 B4R0.1 CC=C(F)F Amb10840482 [2,0,0,0,0,0|2,0,0]=4 2065 B4R0.1 CCB(O)O Amb8387605 [2,0,0,0,0,0|1,0,1]=4 2066 B4R0.1 CCC(=N)N Amb2695032 [2,0,0,0,0,0|2,0,0]=4 2067 B4R0.1 CCC(=N)N Amb6316131 [2,0,0,0,0,0|2,0,0]=4 2068 B4R0.1 CCC(=O)Br Amb8517649 [2,0,0,0,0,0|1,0,0]=3 2069 B4R0.1 CCC(=O)Cl Amb2792924 [2,0,0,0,0,0|1,0,0]=3 2070 B4R0.1 CCC(=O)F Amb10839798 [2,0,0,0,0,0|1,0,0]=3 2071 B4R0.1 CCC(=O)O Amb3938995 [2,0,0,0,0,0|0,0,0]=2 2072 B4R0.1 CCC(=O)S Amb26953905 [2,0,0,0,0,0|0,1,0]=3 2073 B4R0.1 CCC(=O)[O-] Amb22731204 [2,0,0,0,0,0|0,0,1]=3 2074 B4R0.1 CCC(=O)[O-] Amb8513417 [2,0,0,0,0,0|0,0,1]=3 2075 B4R0.1 CCC(C)=O Amb4606002 [2,0,0,0,0,0|0,0,1]=3 2076 B4R0.1 CCC(C)O Amb9748253 [2,0,0,0,0,0|1,0,1]=4 2077 B4R0.1 CCC(N)=O Amb3886522 [2,0,0,0,0,0|1,0,0]=3 2078 B4R0.1 CCC(N)=S Amb1114671 [2,0,0,0,0,0|1,1,0]=4 2079 B4R0.1 CCC(O)F Amb27763763 [2,0,0,0,0,0|1,0,1]=4 2080 B4R0.1 CCC(O)O Amb28280915 [2,0,0,0,0,0|0,0,2]=4 2081 B4R0.1 CCN(C)O Amb25746619 [2,0,0,0,0,0|2,0,0]=4 2082 B4R0.1 CCS(=O)Cl Amb24647938 [2,0,0,0,0,0|2,0,0]=4 2083 B4R0.1 CCS(=O)O Amb24332177 [2,0,0,0,0,0|1,0,0]=3 2084 B4R0.1 CCS(=O)[O-] Amb17943109 [2,0,0,0,0,0|1,0,1]=4 2085 B4R0.1 CCS(=O)[O-] Amb22411287 [2,0,0,0,0,0|1,0,1]=4 2086 B4R0.1 CCS(C)=O Amb25301908 [2,0,0,0,0,0|1,0,1]=4 2087 B4R0.1 CCS(N)=O Amb24734600 [2,0,0,0,0,0|2,0,0]=4 2088 B4R0.1 CC[C@@H](C)O Amb8514550 [2,0,0,0,0,0|1,0,1]=4 2089 B4R0.1 CC[C@H](C)O Amb4606006 [2,0,0,0,0,0|1,0,1]=4 2090 B4R0.1 CC[N+](=O)[O-] Amb6608854 [2,0,0,0,0,0|1,0,1]=4 2091 B4R0.1 CC[PH](=O)O Amb8391284 [2,0,0,0,0,0|1,0,0]=3 2092 B4R0.1 CN(C)C=O Amb2793011 [2,0,0,0,0,0|2,0,0]=4 2093 B4R0.1 CN(C)CO Amb17673884 [2,0,0,0,0,0|2,0,0]=4 2094 B4R0.1 CN(Cl)C=O Amb28345656 [2,0,0,0,0,0|2,0,0]=4 2095 B4R0.1 CN(N)C=O Amb10843911 [2,0,0,0,0,0|2,0,0]=4 2096 B4R0.1 CN(O)C=O Amb28291395 [2,0,0,0,0,0|1,0,1]=4 2097 B4R0.1 CNC(=O)Cl Amb17942998 [2,0,0,0,0,0|2,0,0]=4 2098 B4R0.1 CNC(=O)F Amb27778388 [2,0,0,0,0,0|2,0,0]=4 2099 B4R0.1 CNC(C)=O Amb3886523 [2,0,0,0,0,0|1,0,1]=4 2100 B4R0.1 CNC(N)=O Amb1152075 [2,0,0,0,0,0|2,0,0]=4 2101 B4R0.1 COC(=O)Cl Amb3940230 [2,0,0,0,0,0|2,0,0]=4 2102 B4R0.1 COC(=O)[O-] Amb25688001 [2,0,0,0,0,0|1,0,1]=4 2103 B4R0.1 COC(C)=O Amb6608821 [2,0,0,0,0,0|1,0,1]=4 2104 B4R0.1 COC(N)=O Amb6608701 [2,0,0,0,0,0|2,0,0]=4 2105 B4R0.1 CO[PH](=O)O Amb27489021 [2,0,0,0,0,0|2,0,0]=4 2106 B4R0.1 CS(=O)CBr Amb24476829 [2,0,0,0,0,0|2,0,0]=4 2107 B4R0.1 CS(=O)CCl Amb28457220 [2,0,0,0,0,0|2,0,0]=4 2108 B4R0.1 CSC(=O)Cl Amb22336225 [2,0,0,0,0,0|2,0,0]=4 2109 B4R0.1 CSC(N)=O Amb25082577 [2,0,0,0,0,0|2,0,0]=4 2110 B4R0.1 C[C@@H](Cl)CO Amb8514856 [2,0,0,0,0,0|1,0,1]=4 2111 B4R0.1 C[C@@H](F)CO Amb10840974 [2,0,0,0,0,0|1,0,1]=4 2112 B4R0.1 C[C@@H](N)CO Amb3938978 [2,0,0,0,0,0|1,0,1]=4 2113 B4R0.1 C[C@@H](O)C=O Amb25745956 [2,0,0,0,0,0|0,0,2]=4 2114 B4R0.1 C[C@@H](O)CO Amb8386155 [2,0,0,0,0,0|0,0,2]=4 2115 B4R0.1 C[C@H](Cl)C=O Amb27244768 [2,0,0,0,0,0|1,0,1]=4 2116 B4R0.1 C[C@H](Cl)CO Amb8389340 [2,0,0,0,0,0|1,0,1]=4 2117 B4R0.1 C[C@H](F)CO Amb10840975 [2,0,0,0,0,0|1,0,1]=4 2118 B4R0.1 C[C@H](N)CO Amb2607774 [2,0,0,0,0,0|1,0,1]=4 2119 B4R0.1 C[C@H](O)CO Amb8396604 [2,0,0,0,0,0|0,0,2]=4 2120 B4R0.1 C[N+](C)=CO Amb22731321 [2,0,0,0,0,0|2,0,0]=4 2121 B4R0.1 C\C(Br)=C/Br Amb22730991 [2,0,0,0,0,0|2,0,0]=4 2122 B4R0.1 C\C(Br)=C\Br Amb25950913 [2,0,0,0,0,0|2,0,0]=4 2123 B4R0.1 C\C(Cl)=C/Cl Amb24077348 [2,0,0,0,0,0|2,0,0]=4 2124 B4R0.1 C\C(Cl)=C\Br Amb28386628 [2,0,0,0,0,0|2,0,0]=4 2125 B4R0.1 C\C(Cl)=N/O Amb27975235 [2,0,0,0,0,0|2,0,0]=4 2126 B4R0.1 C\C(Cl)=N\O Amb27843927 [2,0,0,0,0,0|2,0,0]=4 2127 B4R0.1 C\C(F)=C\Cl Amb25663106 [2,0,0,0,0,0|2,0,0]=4 2128 B4R0.1 C\C(N)=N/O Amb499287 [2,0,0,0,0,0|2,0,0]=4 2129 B4R0.1 C\C(N)=N\O Amb10610482 [2,0,0,0,0,0|2,0,0]=4 2130 B4R0.1 C\C(N)=N\O Amb2695158 [2,0,0,0,0,0|2,0,0]=4 2131 B4R0.1 C\C(O)=N\O Amb22492489 [2,0,0,0,0,0|1,0,1]=4 2132 B4R0.1 C\C=C(/C)Cl Amb25025045 [2,0,0,0,0,0|2,0,0]=4 2133 B4R0.1 C\C=C(\C)Br Amb20001493 [2,0,0,0,0,0|2,0,0]=4 2134 B4R0.1 C\C=C(\C)Cl Amb22731715 [2,0,0,0,0,0|2,0,0]=4 2135 B4R0.1 C\C=C(\C)N Amb26529209 [2,0,0,0,0,0|2,0,0]=4 2136 B4R0.1 C\C=C(\Cl)Br Amb24640149 [2,0,0,0,0,0|2,0,0]=4 2137 B4R0.1 N=C(N)CO Amb2696247 [2,0,0,0,0,0|2,0,0]=4 2138 B4R0.1 N=C(N)CO Amb8630173 [2,0,0,0,0,0|2,0,0]=4 2139 B4R0.1 NC(=O)CBr Amb4477263 [2,0,0,0,0,0|2,0,0]=4 2140 B4R0.1 NC(=O)CCl Amb1933827 [2,0,0,0,0,0|2,0,0]=4 2141 B4R0.1 NC(=O)CF Amb6891955 [2,0,0,0,0,0|2,0,0]=4 2142 B4R0.1 NC(=O)CI Amb2688829 [2,0,0,0,0,0|2,0,0]=4 2143 B4R0.1 NC(=O)CO Amb1804460 [2,0,0,0,0,0|1,0,0]=3 2144 B4R0.1 NC(=O)CS Amb2724286 [2,0,0,0,0,0|1,1,0]=4 2145 B4R0.1 NC(=O)C[SiH3] Amb27807227 [2,0,0,0,0,0|1,1,0]=4 2146 B4R0.1 NC(=O)NO Amb932781 [2,0,0,0,0,0|2,0,0]=4 2147 B4R0.1 NC(=S)CO Amb9214998 [2,0,0,0,0,0|1,1,0]=4 2148 B4R0.1 NCC(=O)Br Amb27810916 [2,0,0,0,0,0|2,0,0]=4 2149 B4R0.1 NCC(=O)Cl Amb6740270 [2,0,0,0,0,0|2,0,0]=4 2150 B4R0.1 NCC(=O)O Amb2609025 [2,0,0,0,0,0|1,0,0]=3 2151 B4R0.1 NCC(=O)O Amb33869972 [2,0,0,0,0,0|1,0,0]=3 2152 B4R0.1 NCC(=O)O Amb8516646 [2,0,0,0,0,0|1,0,0]=3 2153 B4R0.1 NCC(=O)S Amb17593043 [2,0,0,0,0,0|1,1,0]=4 2154 B4R0.1 NCC(=O)[O-] Amb21962917 [2,0,0,0,0,0|1,0,1]=4 2155 B4R0.1 NCC(=O)[O-] Amb22493796 [2,0,0,0,0,0|1,0,1]=4 2156 B4R0.1 NCC(=O)[O-] Amb440282 [2,0,0,0,0,0|1,0,1]=4 2157 B4R0.1 NCC(=O)[O-] Amb5722007 [2,0,0,0,0,0|1,0,1]=4 2158 B4R0.1 NCC(N)=O Amb10604177 [2,0,0,0,0,0|2,0,0]=4 2159 B4R0.1 NCC(N)=O Amb22234569 [2,0,0,0,0,0|2,0,0]=4 2160 B4R0.1 NCC(N)=O Amb6609053 [2,0,0,0,0,0|2,0,0]=4 2161 B4R0.1 NC[PH](=O)O Amb776032 [2,0,0,0,0,0|2,0,0]=4 2162 B4R0.1 NNC(=O)O Amb33512897 [2,0,0,0,0,0|2,0,0]=4 2163 B4R0.1 O=C(Br)CBr Amb2793022 [2,0,0,0,0,0|2,0,0]=4 2164 B4R0.1 O=C(Br)CCl Amb27168386 [2,0,0,0,0,0|2,0,0]=4 2165 B4R0.1 O=C(Cl)CBr Amb6608953 [2,0,0,0,0,0|2,0,0]=4 2166 B4R0.1 O=C(Cl)CCl Amb2793043 [2,0,0,0,0,0|2,0,0]=4 2167 B4R0.1 O=C(Cl)CF Amb16185604 [2,0,0,0,0,0|2,0,0]=4 2168 B4R0.1 O=C(Cl)CI Amb22045163 [2,0,0,0,0,0|2,0,0]=4 2169 B4R0.1 O=C(F)CCl Amb10839258 [2,0,0,0,0,0|2,0,0]=4 2170 B4R0.1 O=C(I)CCl Amb27639296 [2,0,0,0,0,0|2,0,0]=4 2171 B4R0.1 O=C(O)C=S Amb28042222 [2,0,0,0,0,0|0,1,0]=3 2172 B4R0.1 O=C(O)CBr Amb6608658 [2,0,0,0,0,0|1,0,0]=3 2173 B4R0.1 O=C(O)CCl Amb2792919 [2,0,0,0,0,0|1,0,0]=3 2174 B4R0.1 O=C(O)CF Amb6740304 [2,0,0,0,0,0|1,0,0]=3 2175 B4R0.1 O=C(O)CI Amb1916034 [2,0,0,0,0,0|1,0,0]=3 2176 B4R0.1 O=C(O)CO Amb2793019 [2,0,0,0,0,0|0,0,1]=3 2177 B4R0.1 O=C(O)CS Amb6608659 [2,0,0,0,0,0|0,1,0]=3 2178 B4R0.1 O=C(O)C[Na] Amb28255644 [2,0,0,0,0,0|1,0,0]=3 2179 B4R0.1 O=C(O)O[Na] Amb22411585 [2,0,0,0,0,0|2,0,0]=4 2180 B4R0.1 O=C([O-])CO Amb22730982 [2,0,0,0,0,0|1,0,0]=3 2181 B4R0.1 O=C([O-])CO Amb8516148 [2,0,0,0,0,0|1,0,0]=3 2182 B4R0.1 O=C([O-])CS Amb8395172 [2,0,0,0,0,0|0,1,1]=4 2183 B4R0.1 O=CC(=O)O Amb3940872 [2,0,0,0,0,0|0,0,0]=2 2184 B4R0.1 O=CC(=O)O Amb6609044 [2,0,0,0,0,0|0,0,0]=2 2185 B4R0.1 O=CC(O)O Amb26610012 [2,0,0,0,0,0|0,0,2]=4 2186 B4R0.1 O=S(O)CCl Amb27468736 [2,0,0,0,0,0|2,0,0]=4 2187 B4R0.1 O=S(O)CO Amb27621151 [2,0,0,0,0,0|1,0,1]=4 2188 B4R0.1 O=S([O-])CO Amb31290940 [2,0,0,0,0,0|2,0,0]=4 2189 B4R0.1 O=S([O-])CO Amb8513422 [2,0,0,0,0,0|2,0,0]=4 2190 B4R0.1 OC=C(Br)Br Amb25747016 [2,0,0,0,0,0|2,0,0]=4 2191 B4R0.1 OC=C(Cl)Cl Amb27451973 [2,0,0,0,0,0|2,0,0]=4 2192 B4R0.1 OCC(=S)S Amb25746765 [2,0,0,0,0,0|1,1,0]=4 2193 B4R0.2 C=CCC=C Amb8513286 [2,0,0,0,0,0|1,0,1]=4 2194 B4R0.2 C=CCC=O Amb25058716 [2,0,0,0,0,0|0,0,1]=3 2195 B4R0.2 C=CCCC Amb8514606 [2,0,0,0,0,0|1,0,1]=4 2196 B4R0.2 C=CCCO Amb6609024 [2,0,0,0,0,0|0,0,2]=4 2197 B4R0.2 C=CCNC Amb3940004 [2,0,0,0,0,0|2,0,0]=4 2198 B4R0.2 C=CCSC Amb3940478 [2,0,0,0,0,0|2,0,0]=4 2199 B4R0.2 C=CNC=O Amb10844823 [2,0,0,0,0,0|1,0,1]=4 2200 B4R0.2 C=COC=O Amb22734253 [2,0,0,0,0,0|1,0,1]=4 2201 B4R0.2 C=C\C=C/C Amb24477227 [2,0,0,0,0,0|1,0,1]=4 2202 B4R0.2 C=C\C=C\C Amb17772326 [2,0,0,0,0,0|1,0,1]=4 2203 B4R0.2 CC#CC=O Amb24477088 [2,0,0,0,0,0|0,0,2]=4 2204 B4R0.2 CC=C=CC Amb17670597 [2,0,0,0,0,0|1,0,1]=4 2205 B4R0.2 CC=C=CI Amb17673291 [2,0,0,0,0,0|1,0,1]=4 2206 B4R0.2 CCCC=O Amb3940026 [2,0,0,0,0,0|0,0,1]=3 2207 B4R0.2 CCCCO Amb2793053 [2,0,0,0,0,0|0,0,2]=4 2208 B4R0.2 CCNC=O Amb22229692 [2,0,0,0,0,0|1,0,1]=4 2209 B4R0.2 CCOC=O Amb3429671 [2,0,0,0,0,0|1,0,1]=4 2210 B4R0.2 CNCC=O Amb28133605 [2,0,0,0,0,0|1,0,0]=3 2211 B4R0.2 CNCCO Amb2793086 [2,0,0,0,0,0|1,0,1]=4 2212 B4R0.2 COCC=O Amb3941034 [2,0,0,0,0,0|1,0,0]=3 2213 B4R0.2 COCCO Amb4605828 [2,0,0,0,0,0|1,0,1]=4 2214 B4R0.2 CPCCO Amb27594723 [2,0,0,0,0,0|1,0,1]=4 2215 B4R0.2 CSCC=O Amb27250514 [2,0,0,0,0,0|1,0,0]=3 2216 B4R0.2 CSCCO Amb3568993 [2,0,0,0,0,0|1,0,1]=4 2217 B4R0.2 C\C=C\C=O Amb6891937 [2,0,0,0,0,0|0,0,1]=3 2218 B4R0.2 C\C=C\CO Amb9277796 [2,0,0,0,0,0|0,0,2]=4 2219 B4R0.2 C\N=C\C=O Amb27849988 [2,0,0,0,0,0|1,0,1]=4 2220 B4R0.2 N#CCC=O Amb9669129 [2,0,0,0,0,0|1,0,1]=4 2221 B4R0.2 N\C=C/C=O Amb25246630 [2,0,0,0,0,0|1,0,1]=4 2222 B4R0.2 N\C=C\C=O Amb33946746 [2,0,0,0,0,0|1,0,1]=4 2223 B4R0.2 O=C=C=CO Amb28127804 [2,0,0,0,0,0|0,0,2]=4 2224 B4R0.2 O=CC=S=O Amb27436150 [2,0,0,0,0,0|1,0,1]=4 2225 B4R0.2 O=CCC=O Amb33512721 [2,0,0,0,0,0|0,0,0]=2 2226 B4R0.2 O=CCCCl Amb16233605 [2,0,0,0,0,0|1,0,1]=4 2227 B4R0.2 O=CCCF Amb21858609 [2,0,0,0,0,0|1,0,1]=4 2228 B4R0.2 O=CCCI Amb26847605 [2,0,0,0,0,0|1,0,1]=4 2229 B4R0.2 O=CCCO Amb24412391 [2,0,0,0,0,0|0,0,1]=3 2230 B4R0.2 O=CCCS Amb27755008 [2,0,0,0,0,0|0,1,1]=4 2231 B4R0.2 O=CNC=O Amb25721263 [2,0,0,0,0,0|1,0,0]=3 2232 B4R0.2 O=CNC=O Amb33982955 [2,0,0,0,0,0|1,0,0]=3 2233 B4R0.2 O=CNCO Amb27754843 [2,0,0,0,0,0|1,0,1]=4 2234 B4R0.2 O=C\C=C/Br Amb27876427 [2,0,0,0,0,0|1,0,1]=4 2235 B4R0.2 O=C\C=C/I Amb27863578 [2,0,0,0,0,0|1,0,1]=4 2236 B4R0.2 O=C\C=C\Cl Amb17593041 [2,0,0,0,0,0|1,0,1]=4 2237 B4R0.2 O=C\C=N\O Amb25746308 [2,0,0,0,0,0|1,0,1]=4 2238 B6R0.1 C#CC(=O)CC=C Amb27163449 [1,1,0,0,0,0|1,0,1]=4 2239 B6R0.1 C#CC(=O)CCC Amb25696103 [1,1,0,0,0,0|1,0,1]=4 2240 B6R0.1 C#CC(=O)COC Amb27794422 [1,1,0,0,0,0|2,0,0]=4 2241 B6R0.1 C#CC(=O)CSC Amb27667610 [1,1,0,0,0,0|2,0,0]=4 2242 B6R0.1 C#CC(=O)\C=C\C Amb26354606 [1,1,0,0,0,0|1,0,1]=4 2243 B6R0.1 C#CCC(=O)CN Amb27970357 [1,1,0,0,0,0|1,0,1]=4 2244 B6R0.1 C#CCC(=O)OC Amb5722531 [1,1,0,0,0,0|0,0,2]=4 2245 B6R0.1 C=C(C=O)COC Amb28066424 [1,1,0,0,0,0|2,0,0]=4 2246 B6R0.1 C=C(CC)CCO Amb25261191 [1,1,0,0,0,0|1,0,1]=4 2247 B6R0.1 C=C(CCC)OC Amb27433625 [1,1,0,0,0,0|1,0,1]=4 2248 B6R0.1 C=C(CO)CCO Amb25825219 [1,1,0,0,0,0|1,0,1]=4 2249 B6R0.1 C=CC(=O)CCC Amb8630773 [1,1,0,0,0,0|1,0,1]=4 2250 B6R0.1 C=CC(=O)COC Amb22168158 [1,1,0,0,0,0|2,0,0]=4 2251 B6R0.1 C=CC(=O)CSC Amb26974013 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.1 C=CC(C)CC=O Amb18120863 [1,1,0,0,0,0|1,0,1]=4 2253 B6R0.1 C=CC(O)CC=O Amb27401128 [1,1,0,0,0,0|1,0,1]=4 2254 B6R0.1 C=CCC(=C)C=O Amb18120415 [1,1,0,0,0,0|1,0,1]=4 2255 B6R0.1 C=CCC(=O)C=C Amb27164626 [1,1,0,0,0,0|1,0,1]=4 2256 B6R0.1 C=CCC(=O)CC Amb27173052 [1,1,0,0,0,0|1,0,0]=3 2257 B6R0.1 C=CCC(=O)CN Amb32410102 [1,1,0,0,0,0|1,0,0]=3 2258 B6R0.1 C=CCC(=O)NC Amb24479782 [1,1,0,0,0,0|1,0,0]=3 2259 B6R0.1 C=CCC(C)C=O Amb4358618 [1,1,0,0,0,0|1,0,1]=4 2260 B6R0.1 C=CC[C@H](C)C=O Amb28050198 [1,1,0,0,0,0|1,0,1]=4 2261 B6R0.1 C=CC\C(C)=C\C Amb24479822 [1,1,0,0,0,0|2,0,0]=4 2262 B6R0.1 C=CC\C(N)=N\O Amb2695179 [1,1,0,0,0,0|1,0,1]=4 2263 B6R0.1 C=CNC(=O)OC Amb24479688 [1,1,0,0,0,0|1,0,1]=4 2264 B6R0.1 C=COC(=O)CBr Amb22732072 [1,1,0,0,0,0|2,0,0]=4 2265 B6R0.1 C=COC(=O)CC Amb4018556 [1,1,0,0,0,0|2,0,0]=4 2266 B6R0.1 C=COC(=O)CI Amb17934194 [1,1,0,0,0,0|2,0,0]=4 2267 B6R0.1 C=CSC(=O)NC Amb27969936 [1,1,0,0,0,0|2,0,0]=4 2268 B6R0.1 C=C[C@H](C)CC=O Amb28252390 [1,1,0,0,0,0|1,0,1]=4 2269 B6R0.1 C=C\C(C)=C/C=O Amb18638879 [1,1,0,0,0,0|1,0,1]=4 2270 B6R0.1 CC#CC(=O)OC Amb2689389 [1,1,0,0,0,0|0,0,2]=4 2271 B6R0.1 CC(=C=CBr)C=O Amb27484005 [1,1,0,0,0,0|1,0,1]=4 2272 B6R0.1 CC(C=O)CCO Amb28208492 [1,1,0,0,0,0|0,0,2]=4 2273 B6R0.1 CC=C=C(C)CO Amb28048302 [1,1,0,0,0,0|1,0,1]=4 2274 B6R0.1 CCC(=O)CC#N Amb9205370 [1,1,0,0,0,0|1,0,1]=4 2275 B6R0.1 CCC(=O)CCBr Amb27401869 [1,1,0,0,0,0|1,0,1]=4 2276 B6R0.1 CCC(=O)CCI Amb27232362 [1,1,0,0,0,0|1,0,1]=4 2277 B6R0.1 CCC(=O)CCN Amb18202790 [1,1,0,0,0,0|1,0,1]=4 2278 B6R0.1 CCC(=O)CCO Amb26872941 [1,1,0,0,0,0|0,0,1]=3 2279 B6R0.1 CCC(=O)CCS Amb24733984 [1,1,0,0,0,0|0,1,1]=4 2280 B6R0.1 CCC(=O)CNC Amb26408381 [1,1,0,0,0,0|2,0,0]=4 2281 B6R0.1 CCC(=O)CNC Amb32410106 [1,1,0,0,0,0|2,0,0]=4 2282 B6R0.1 CCC(=O)CNO Amb27434221 [1,1,0,0,0,0|1,0,0]=3 2283 B6R0.1 CCC(=O)COC Amb19515551 [1,1,0,0,0,0|2,0,0]=4 2284 B6R0.1 CCC(=O)CSC Amb8393183 [1,1,0,0,0,0|2,0,0]=4 2285 B6R0.1 CCC(=O)N=C=O Amb17231803 [1,1,0,0,0,0|1,0,1]=4 2286 B6R0.1 CCC(=O)NC=N Amb28341185 [1,1,0,0,0,0|2,0,0]=4 2287 B6R0.1 CCC(=O)NCO Amb27235623 [1,1,0,0,0,0|1,0,1]=4 2288 B6R0.1 CCC(=O)\C=C/Cl Amb28351606 [1,1,0,0,0,0|1,0,1]=4 2289 B6R0.1 CCC(=O)\C=C\Cl Amb17593220 [1,1,0,0,0,0|1,0,1]=4 2290 B6R0.1 CCC(=O)\C=C\N Amb26341655 [1,1,0,0,0,0|1,0,1]=4 2291 B6R0.1 CCC(=O)\C=N\O Amb27787349 [1,1,0,0,0,0|1,0,1]=4 2292 B6R0.1 CCC(C)CC=O Amb33542231 [1,1,0,0,0,0|1,0,1]=4 2293 B6R0.1 CCC(O)CC=O Amb27268436 [1,1,0,0,0,0|0,0,2]=4 2294 B6R0.1 CCCC(=O)CBr Amb24433274 [1,1,0,0,0,0|1,0,1]=4 2295 B6R0.1 CCCC(=O)CC Amb8513390 [1,1,0,0,0,0|1,0,1]=4 2296 B6R0.1 CCCC(=O)CCl Amb19372924 [1,1,0,0,0,0|1,0,1]=4 2297 B6R0.1 CCCC(=O)CI Amb27876205 [1,1,0,0,0,0|1,0,1]=4 2298 B6R0.1 CCCC(=O)CN Amb17593086 [1,1,0,0,0,0|1,0,1]=4 2299 B6R0.1 CCCC(=O)CN Amb28827644 [1,1,0,0,0,0|1,0,1]=4 2300 B6R0.1 CCCC(=O)CO Amb25125092 [1,1,0,0,0,0|0,0,1]=3 2301 B6R0.1 CCCC(=O)NC Amb3886531 [1,1,0,0,0,0|1,0,1]=4 2302 B6R0.1 CCCC(=O)NN Amb6366352 [1,1,0,0,0,0|1,0,1]=4 2303 B6R0.1 CCCC(=O)NO Amb6260495 [1,1,0,0,0,0|0,0,1]=3 2304 B6R0.1 CCCC(=O)OC Amb8516697 [1,1,0,0,0,0|0,0,1]=3 2305 B6R0.1 CCCC(=O)SC Amb8393184 [1,1,0,0,0,0|0,1,1]=4 2306 B6R0.1 CCCC(=S)OC Amb22043317 [1,1,0,0,0,0|0,1,1]=4 2307 B6R0.1 CCC\C(C)=N\O Amb24693854 [1,1,0,0,0,0|1,0,1]=4 2308 B6R0.1 CCC\C(Cl)=N\O Amb27829565 [1,1,0,0,0,0|1,0,1]=4 2309 B6R0.1 CCC\C(N)=N\O Amb19890174 [1,1,0,0,0,0|1,0,1]=4 2310 B6R0.1 CCC\C(N)=N\O Amb2724965 [1,1,0,0,0,0|1,0,1]=4 2311 B6R0.1 CCNC(=O)CO Amb9421415 [1,1,0,0,0,0|1,0,1]=4 2312 B6R0.1 CCNC(=O)NO Amb28345704 [1,1,0,0,0,0|1,0,1]=4 2313 B6R0.1 CCNC(=O)OC Amb22734099 [1,1,0,0,0,0|1,0,1]=4 2314 B6R0.1 CCOC(=O)CO Amb3939196 [1,1,0,0,0,0|1,0,1]=4 2315 B6R0.1 CCOC(=O)NO Amb8384324 [1,1,0,0,0,0|1,0,1]=4 2316 B6R0.1 CCOC(=O)OC Amb22732530 [1,1,0,0,0,0|1,0,1]=4 2317 B6R0.1 CCS(=O)CCO Amb10669566 [1,1,0,0,0,0|1,0,1]=4 2318 B6R0.1 CC[C@@H](O)CC=O Amb28287324 [1,1,0,0,0,0|0,0,2]=4 2319 B6R0.1 CC\C(C)=C\C=O Amb28251868 [1,1,0,0,0,0|1,0,1]=4 2320 B6R0.1 CC\C(Cl)=C\C=O Amb28202587 [1,1,0,0,0,0|1,0,1]=4 2321 B6R0.1 CC\C=C(/O)C=O Amb27849683 [1,1,0,0,0,0|0,0,2]=4 2322 B6R0.1 CC\C=C(\O)C=O Amb27195226 [1,1,0,0,0,0|0,0,2]=4 2323 B6R0.1 CN(C=O)CCO Amb25849655 [1,1,0,0,0,0|1,0,1]=4 2324 B6R0.1 CN(CC=O)N=O Amb27830130 [1,1,0,0,0,0|1,0,0]=3 2325 B6R0.1 CN(CCO)N=O Amb26393134 [1,1,0,0,0,0|1,0,1]=4 2326 B6R0.1 CNC(=N)CCO Amb25114075 [1,1,0,0,0,0|1,0,1]=4 2327 B6R0.1 CNC(=N)CCO Amb32680454 [1,1,0,0,0,0|1,0,1]=4 2328 B6R0.1 CNC(=O)CC#N Amb1152273 [1,1,0,0,0,0|1,0,1]=4 2329 B6R0.1 CNC(=O)CCBr Amb17332890 [1,1,0,0,0,0|1,0,1]=4 2330 B6R0.1 CNC(=O)CCCl Amb1130566 [1,1,0,0,0,0|1,0,1]=4 2331 B6R0.1 CNC(=O)CCN Amb1139824 [1,1,0,0,0,0|1,0,1]=4 2332 B6R0.1 CNC(=O)CCN Amb6893005 [1,1,0,0,0,0|1,0,1]=4 2333 B6R0.1 CNC(=O)CCO Amb10608414 [1,1,0,0,0,0|0,0,1]=3 2334 B6R0.1 CNC(=O)CCS Amb25727705 [1,1,0,0,0,0|0,1,1]=4 2335 B6R0.1 CNC(=O)CNN Amb24744455 [1,1,0,0,0,0|2,0,0]=4 2336 B6R0.1 CNC(=O)COC Amb22275885 [1,1,0,0,0,0|2,0,0]=4 2337 B6R0.1 CNC(=O)CON Amb22740185 [1,1,0,0,0,0|2,0,0]=4 2338 B6R0.1 CNC(=O)\C=C/Br Amb27425015 [1,1,0,0,0,0|1,0,1]=4 2339 B6R0.1 CNC(=O)\C=C\I Amb27966681 [1,1,0,0,0,0|1,0,1]=4 2340 B6R0.1 CNCC(=O)CF Amb33377251 [1,1,0,0,0,0|2,0,0]=4 2341 B6R0.1 CNCC(=O)NC Amb2371052 [1,1,0,0,0,0|2,0,0]=4 2342 B6R0.1 CNCC(=O)NC Amb423473 [1,1,0,0,0,0|2,0,0]=4 2343 B6R0.1 CNCC(=O)NN Amb16186920 [1,1,0,0,0,0|2,0,0]=4 2344 B6R0.1 CNCC(=O)NN Amb32667538 [1,1,0,0,0,0|2,0,0]=4 2345 B6R0.1 CNCC(=O)OC Amb1153975 [1,1,0,0,0,0|1,0,0]=3 2346 B6R0.1 CNCC(=O)OC Amb2371116 [1,1,0,0,0,0|1,0,0]=3 2347 B6R0.1 CNC\C(N)=N\O Amb24648670 [1,1,0,0,0,0|2,0,0]=4 2348 B6R0.1 CNNC(=O)OC Amb22411352 [1,1,0,0,0,0|2,0,0]=4 2349 B6R0.1 COC(=N)CCO Amb17593095 [1,1,0,0,0,0|1,0,1]=4 2350 B6R0.1 COC(=O)CC#N Amb3940296 [1,1,0,0,0,0|1,0,1]=4 2351 B6R0.1 COC(=O)CC=O Amb18199826 [1,1,0,0,0,0|0,0,0]=2 2352 B6R0.1 COC(=O)CCBr Amb3940216 [1,1,0,0,0,0|1,0,1]=4 2353 B6R0.1 COC(=O)CCCl Amb8387395 [1,1,0,0,0,0|1,0,1]=4 2354 B6R0.1 COC(=O)CCI Amb24442243 [1,1,0,0,0,0|1,0,1]=4 2355 B6R0.1 COC(=O)CCN Amb1105940 [1,1,0,0,0,0|1,0,1]=4 2356 B6R0.1 COC(=O)CCN Amb2605985 [1,1,0,0,0,0|1,0,1]=4 2357 B6R0.1 COC(=O)CCO Amb8855137 [1,1,0,0,0,0|0,0,1]=3 2358 B6R0.1 COC(=O)CCS Amb2725528 [1,1,0,0,0,0|0,1,1]=4 2359 B6R0.1 COC(=O)CON Amb18640433 [1,1,0,0,0,0|2,0,0]=4 2360 B6R0.1 COC(=O)CON Amb29848090 [1,1,0,0,0,0|2,0,0]=4 2361 B6R0.1 COC(=O)CSC Amb2689527 [1,1,0,0,0,0|1,0,0]=3 2362 B6R0.1 COC(=O)N=C=O Amb16233562 [1,1,0,0,0,0|1,0,1]=4 2363 B6R0.1 COC(=O)\C=C/Br Amb10067501 [1,1,0,0,0,0|1,0,1]=4 2364 B6R0.1 COC(=O)\C=C/Cl Amb27878734 [1,1,0,0,0,0|1,0,1]=4 2365 B6R0.1 COC(=O)\C=C/I Amb2455616 [1,1,0,0,0,0|1,0,1]=4 2366 B6R0.1 COC(=O)\C=C\Br Amb33986032 [1,1,0,0,0,0|1,0,1]=4 2367 B6R0.1 COC(=O)\C=C\I Amb33986599 [1,1,0,0,0,0|1,0,1]=4 2368 B6R0.1 COC(=O)\C=C\N Amb8386481 [1,1,0,0,0,0|1,0,1]=4 2369 B6R0.1 COC(=O)\C=C\[O-] Amb32729428 [1,1,0,0,0,0|0,0,2]=4 2370 B6R0.1 COC(C)CC=O Amb17593089 [1,1,0,0,0,0|0,0,2]=4 2371 B6R0.1 COCC(=N)NO Amb21858420 [1,1,0,0,0,0|2,0,0]=4 2372 B6R0.1 COCC(=N)OC Amb28989427 [1,1,0,0,0,0|2,0,0]=4 2373 B6R0.1 COCC(=O)CCl Amb24523799 [1,1,0,0,0,0|2,0,0]=4 2374 B6R0.1 COCC(=O)CI Amb27414026 [1,1,0,0,0,0|2,0,0]=4 2375 B6R0.1 COCC(=O)CN Amb18833134 [1,1,0,0,0,0|2,0,0]=4 2376 B6R0.1 COCC(=O)NN Amb6548366 [1,1,0,0,0,0|2,0,0]=4 2377 B6R0.1 COCC(=O)OC Amb8513624 [1,1,0,0,0,0|1,0,0]=3 2378 B6R0.1 COC[C@@H](O)C=O Amb28132745 [1,1,0,0,0,0|1,0,1]=4 2379 B6R0.1 COC[C@H](O)C=O Amb27838256 [1,1,0,0,0,0|1,0,1]=4 2380 B6R0.1 COC\C(N)=N\O Amb8384549 [1,1,0,0,0,0|2,0,0]=4 2381 B6R0.1 CONC(=O)CO Amb28344874 [1,1,0,0,0,0|2,0,0]=4 2382 B6R0.1 CO\C=C(/O)C=O Amb27797385 [1,1,0,0,0,0|1,0,1]=4 2383 B6R0.1 CSC(=O)CCO Amb27662309 [1,1,0,0,0,0|0,0,1]=3 2384 B6R0.1 CSC(C)CC=O Amb8393182 [1,1,0,0,0,0|0,1,1]=4 2385 B6R0.1 CSCC(=O)CCl Amb25965373 [1,1,0,0,0,0|2,0,0]=4 2386 B6R0.1 CSCC(=O)CN Amb33225415 [1,1,0,0,0,0|2,0,0]=4 2387 B6R0.1 CSCC(=O)NN Amb22058723 [1,1,0,0,0,0|2,0,0]=4 2388 B6R0.1 CSCC(=O)NO Amb28057751 [1,1,0,0,0,0|1,0,0]=3 2389 B6R0.1 CSCC(O)C=O Amb27438538 [1,1,0,0,0,0|1,0,1]=4 2390 B6R0.1 CSC\C(N)=N\O Amb8385720 [1,1,0,0,0,0|2,0,0]=4 2391 B6R0.1 C[C@@H](C=O)CCO Amb27394744 [1,1,0,0,0,0|0,0,2]=4 2392 B6R0.1 C[C@@H](CO)CC=O Amb27227155 [1,1,0,0,0,0|0,0,2]=4 2393 B6R0.1 C[C@H](C=O)CCO Amb27260814 [1,1,0,0,0,0|0,0,2]=4 2394 B6R0.1 C[NH2+]CC(=O)OC Amb22045201 [1,1,0,0,0,0|1,0,0]=3 2395 B6R0.1 C[NH2+]CC(=O)OC Amb24113851 [1,1,0,0,0,0|1,0,0]=3 2396 B6R0.1 C\C(=C/C=O)CBr Amb28396628 [1,1,0,0,0,0|1,0,1]=4 2397 B6R0.1 C\C(=C/C=O)CCl Amb27224793 [1,1,0,0,0,0|1,0,1]=4 2398 B6R0.1 C\C(=C/I)CCO Amb27977006 [1,1,0,0,0,0|1,0,1]=4 2399 B6R0.1 C\C(C#N)=C/C=O Amb27630450 [1,1,0,0,0,0|1,0,1]=4 2400 B6R0.1 C\C(C#N)=C\C=O Amb28324311 [1,1,0,0,0,0|1,0,1]=4 2401 B6R0.1 C\C(C=O)=C/C=O Amb27597073 [1,1,0,0,0,0|0,0,1]=3 2402 B6R0.1 C\C(CCO)=N/N Amb28453929 [1,1,0,0,0,0|1,0,1]=4 2403 B6R0.1 C\C=C(/C)CC=O Amb18120886 [1,1,0,0,0,0|1,0,0]=3 2404 B6R0.1 C\C=C(/C)CCO Amb24674649 [1,1,0,0,0,0|1,0,1]=4 2405 B6R0.1 C\C=C(\C)CCO Amb28077117 [1,1,0,0,0,0|1,0,1]=4 2406 B6R0.1 C\C=C\C(=O)C#N Amb27434248 [1,1,0,0,0,0|1,0,1]=4 2407 B6R0.1 C\C=C\C(=O)C=O Amb27838207 [1,1,0,0,0,0|0,0,2]=4 2408 B6R0.1 C\C=C\C(=O)CC Amb8517594 [1,1,0,0,0,0|1,0,1]=4 2409 B6R0.1 C\C=C\C(=O)CCl Amb26438240 [1,1,0,0,0,0|1,0,1]=4 2410 B6R0.1 C\C=C\C(=O)NN Amb25796185 [1,1,0,0,0,0|1,0,1]=4 2411 B6R0.1 C\C=C\C(=O)OC Amb8513568 [1,1,0,0,0,0|0,0,1]=3 2412 B6R0.1 NC(C=O)CC=O Amb27872844 [1,1,0,0,0,0|1,0,1]=4 2413 B6R0.1 NCC(=O)CCF Amb26604148 [1,1,0,0,0,0|1,0,1]=4 2414 B6R0.1 NCCC(=O)CF Amb33377162 [1,1,0,0,0,0|1,0,1]=4 2415 B6R0.1 NCCC(=O)CN Amb18121893 [1,1,0,0,0,0|1,0,1]=4 2416 B6R0.1 NCCC(=O)NO Amb33543073 [1,1,0,0,0,0|1,0,1]=4 2417 B6R0.1 NNC(=O)CCO Amb20622339 [1,1,0,0,0,0|1,0,1]=4 2418 B6R0.1 O=C(CBr)CCBr Amb26567374 [1,1,0,0,0,0|1,0,1]=4 2419 B6R0.1 O=C(CBr)CCCl Amb27984732 [1,1,0,0,0,0|1,0,1]=4 2420 B6R0.1 O=C(CBr)NCO Amb25286051 [1,1,0,0,0,0|1,0,1]=4 2421 B6R0.1 O=C(CCBr)NO Amb28195718 [1,1,0,0,0,0|1,0,1]=4 2422 B6R0.1 O=C(CCCl)NO Amb25865278 [1,1,0,0,0,0|1,0,1]=4 2423 B6R0.1 O=C(CCl)CCCl Amb22395038 [1,1,0,0,0,0|1,0,1]=4 2424 B6R0.1 O=C(CCl)CCF Amb33413998 [1,1,0,0,0,0|1,0,1]=4 2425 B6R0.1 O=C(CCl)NCO Amb1153096 [1,1,0,0,0,0|1,0,1]=4 2426 B6R0.1 O=C(CF)CCF Amb28424077 [1,1,0,0,0,0|1,0,1]=4 2427 B6R0.1 O=C(CF)NCO Amb27625787 [1,1,0,0,0,0|1,0,1]=4 2428 B6R0.1 O=C(CO)CCO Amb10603377 [1,1,0,0,0,0|0,0,1]=3 2429 B6R0.1 O=C(CO)NCO Amb27593459 [1,1,0,0,0,0|1,0,1]=4 2430 B6R0.1 O=C(\C=C/Br)CCl Amb28050548 [1,1,0,0,0,0|1,0,1]=4 2431 B6R0.1 O=C(\C=C\Cl)CCl Amb13952715 [1,1,0,0,0,0|1,0,1]=4 2432 B6R0.1 O=C=CC(=O)CF Amb27838227 [1,1,0,0,0,0|0,0,2]=4 2433 B6R0.1 O=C=NC(=O)CBr Amb26873597 [1,1,0,0,0,0|1,0,1]=4 2434 B6R0.1 O=C=NC(=O)CCl Amb8515445 [1,1,0,0,0,0|1,0,1]=4 2435 B6R0.1 O=CC(=O)CCO Amb28050238 [1,1,0,0,0,0|0,0,2]=4 2436 B6R0.1 O=CCC(F)CF Amb27186291 [1,1,0,0,0,0|1,0,1]=4 2437 B6R0.1 O=CCC(O)C=O Amb28071061 [1,1,0,0,0,0|0,0,1]=3 2438 B6R0.1 O=COC(=O)CO Amb27457699 [1,1,0,0,0,0|1,0,0]=3 2439 B6R0.1 O=C\C=C(/Br)C=O Amb27169466 [1,1,0,0,0,0|1,0,1]=4 2440 B6R0.1 O=NOC(=O)CBr Amb27761886 [1,1,0,0,0,0|2,0,0]=4 2441 B6R0.1 [C-]#[N+]CC(=O)NC Amb27423435 [1,1,0,0,0,0|2,0,0]=4 2442 B6R0.1 [C-]#[N+]CC(=O)OC Amb2697203 [1,1,0,0,0,0|1,0,1]=4 2443 B6R0.3 C#CC(N)C(=O)O Amb28282694 [1,1,0,0,0,0|0,0,2]=4 2444 B6R0.3 C#CC(O)C(=O)O Amb22731622 [1,1,0,0,0,0|0,0,2]=4 2445 B6R0.3 C=C(C)C(Br)CO Amb25707965 [1,1,0,0,0,0|1,0,1]=4 2446 B6R0.3 C=C(C)C(C)C=O Amb18639176 [1,1,0,0,0,0|1,0,0]=3 2447 B6R0.3 C=C(C)C(C)CO Amb24539367 [1,1,0,0,0,0|1,0,1]=4 2448 B6R0.3 C=C(C)C(Cl)CO Amb27858700 [1,1,0,0,0,0|1,0,1]=4 2449 B6R0.3 C=C(C)C(F)CO Amb28043434 [1,1,0,0,0,0|1,0,1]=4 2450 B6R0.3 C=C(C)C(N)CO Amb26544297 [1,1,0,0,0,0|1,0,1]=4 2451 B6R0.3 C=C(C)C(O)CO Amb23570510 [1,1,0,0,0,0|1,0,1]=4 2452 B6R0.3 C=C(C)[C@@H](C)C=O Amb27838285 [1,1,0,0,0,0|1,0,0]=3 2453 B6R0.3 C=C(C)[C@@H](N)CO Amb25693320 [1,1,0,0,0,0|1,0,1]=4 2454 B6R0.3 C=C(C)[C@H](C)CO Amb28350373 [1,1,0,0,0,0|1,0,1]=4 2455 B6R0.3 C=C(C)[C@H](F)CO Amb27763892 [1,1,0,0,0,0|1,0,1]=4 2456 B6R0.3 C=C(C)[C@H](N)CO Amb27174504 [1,1,0,0,0,0|1,0,1]=4 2457 B6R0.3 C=C(CC)C(=O)O Amb18639591 [1,1,0,0,0,0|0,0,2]=4 2458 B6R0.3 C=C(CO)C(C)=O Amb24571845 [1,1,0,0,0,0|0,0,2]=4 2459 B6R0.3 C=C(OC)C(=O)O Amb18639906 [1,1,0,0,0,0|1,0,1]=4 2460 B6R0.3 C=C(SC)C(=O)O Amb27882690 [1,1,0,0,0,0|1,0,1]=4 2461 B6R0.3 C=CC(=C)C(=O)O Amb24394371 [1,1,0,0,0,0|0,0,2]=4 2462 B6R0.3 C=CC(C)C(=C)C Amb22228297 [1,1,0,0,0,0|2,0,0]=4 2463 B6R0.3 C=CC(C)C(=O)O Amb21618706 [1,1,0,0,0,0|0,0,1]=3 2464 B6R0.3 C=CC(C)C(N)=O Amb27167730 [1,1,0,0,0,0|1,0,1]=4 2465 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [1,1,0,0,0,0|0,0,1]=3 2466 B6R0.3 C=CC(N)C(=O)O Amb20240543 [1,1,0,0,0,0|0,0,1]=3 2467 B6R0.3 C=CC(O)C(=C)C Amb25234791 [1,1,0,0,0,0|2,0,0]=4 2468 B6R0.3 C=CC(O)C(=O)O Amb24061247 [1,1,0,0,0,0|0,0,1]=3 2469 B6R0.3 C=CC(O)C(C)=O Amb27838239 [1,1,0,0,0,0|1,0,0]=3 2470 B6R0.3 C=CC(O)C(N)=O Amb27391902 [1,1,0,0,0,0|1,0,1]=4 2471 B6R0.3 C=CC(S)C(=O)O Amb28069741 [1,1,0,0,0,0|0,0,1]=3 2472 B6R0.3 C=CN(C)C(C)=O Amb8513334 [1,1,0,0,0,0|2,0,0]=4 2473 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [1,1,0,0,0,0|0,0,1]=3 2474 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [1,1,0,0,0,0|0,0,1]=3 2475 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [1,1,0,0,0,0|0,0,1]=3 2476 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [1,1,0,0,0,0|0,0,1]=3 2477 B6R0.3 C=C[C@H](O)C(N)=O Amb28282656 [1,1,0,0,0,0|1,0,1]=4 2478 B6R0.3 CC(=O)C(=N)NO Amb27433735 [1,1,0,0,0,0|1,0,1]=4 2479 B6R0.3 CC(=O)C(=O)NO Amb26477907 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.3 CC(=O)C(Br)C=O Amb17232509 [1,1,0,0,0,0|0,0,0]=2 2481 B6R0.3 CC(=O)C(Br)CBr Amb27597612 [1,1,0,0,0,0|1,0,1]=4 2482 B6R0.3 CC(=O)C(C)C#N Amb8847377 [1,1,0,0,0,0|1,0,1]=4 2483 B6R0.3 CC(=O)C(C)C=N Amb28199842 [1,1,0,0,0,0|1,0,0]=3 2484 B6R0.3 CC(=O)C(C)C=O Amb18639572 [1,1,0,0,0,0|0,0,0]=2 2485 B6R0.3 CC(=O)C(C)CCl Amb26477594 [1,1,0,0,0,0|1,0,1]=4 2486 B6R0.3 CC(=O)C(C)CO Amb10844844 [1,1,0,0,0,0|0,0,1]=3 2487 B6R0.3 CC(=O)C(Cl)C=O Amb28137911 [1,1,0,0,0,0|0,0,0]=2 2488 B6R0.3 CC(=O)C(Cl)CCl Amb27257955 [1,1,0,0,0,0|1,0,1]=4 2489 B6R0.3 CC(=O)C(O)CO Amb26463044 [1,1,0,0,0,0|0,0,1]=3 2490 B6R0.3 CC(=O)C(S)C#N Amb28202178 [1,1,0,0,0,0|1,0,1]=4 2491 B6R0.3 CC(=O)C([Na])C#N Amb25662498 [1,1,0,0,0,0|1,0,1]=4 2492 B6R0.3 CC(=O)C([Na])CN Amb28423432 [1,1,0,0,0,0|1,0,1]=4 2493 B6R0.3 CC(=O)N(C)CO Amb28191296 [1,1,0,0,0,0|1,0,1]=4 2494 B6R0.3 CC(=O)N(C)N=O Amb25259815 [1,1,0,0,0,0|2,0,0]=4 2495 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [1,1,0,0,0,0|0,0,1]=3 2496 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [1,1,0,0,0,0|0,0,1]=3 2497 B6R0.3 CC(=O)\C(Br)=C/Cl Amb27400332 [1,1,0,0,0,0|1,0,1]=4 2498 B6R0.3 CC(=O)\C(Br)=C\N Amb27878489 [1,1,0,0,0,0|1,0,1]=4 2499 B6R0.3 CC(=O)\C(Br)=C\O Amb17232510 [1,1,0,0,0,0|0,0,1]=3 2500 B6R0.3 CC(=O)\C(C)=N/O Amb9787796 [1,1,0,0,0,0|1,0,1]=4 2501 B6R0.3 CC(=O)\C(C)=N\O Amb8389366 [1,1,0,0,0,0|1,0,1]=4 2502 B6R0.3 CC(=O)\C(Cl)=C/Cl Amb28050173 [1,1,0,0,0,0|1,0,1]=4 2503 B6R0.3 CC(=O)\C(Cl)=C\Cl Amb8393393 [1,1,0,0,0,0|1,0,1]=4 2504 B6R0.3 CC(=O)\C(Cl)=C\O Amb27854622 [1,1,0,0,0,0|0,0,1]=3 2505 B6R0.3 CC(=O)\C(F)=C\Cl Amb27838259 [1,1,0,0,0,0|1,0,1]=4 2506 B6R0.3 CC(Br)C(Br)C=O Amb27594756 [1,1,0,0,0,0|1,0,1]=4 2507 B6R0.3 CC(C#N)C(=O)O Amb17210512 [1,1,0,0,0,0|1,0,1]=4 2508 B6R0.3 CC(C)=C(Br)C=O Amb18645747 [1,1,0,0,0,0|1,0,1]=4 2509 B6R0.3 CC(C)=C(Cl)C=O Amb18640665 [1,1,0,0,0,0|1,0,1]=4 2510 B6R0.3 CC(C)=C(F)C=O Amb27964539 [1,1,0,0,0,0|1,0,1]=4 2511 B6R0.3 CC(C)C(Br)C=O Amb17594091 [1,1,0,0,0,0|1,0,1]=4 2512 B6R0.3 CC(C)C(C)C=O Amb17593082 [1,1,0,0,0,0|1,0,1]=4 2513 B6R0.3 CC(C)C(Cl)C=O Amb18123761 [1,1,0,0,0,0|1,0,1]=4 2514 B6R0.3 CC(C)C(F)C=O Amb27421552 [1,1,0,0,0,0|1,0,1]=4 2515 B6R0.3 CC(C)C(O)C=O Amb17593092 [1,1,0,0,0,0|1,0,1]=4 2516 B6R0.3 CC(C)[C@@H](C)C=O Amb27224855 [1,1,0,0,0,0|1,0,1]=4 2517 B6R0.3 CC(C)[C@@H](N)C=O Amb28292701 [1,1,0,0,0,0|1,0,1]=4 2518 B6R0.3 CC(C)[C@H](C)C=O Amb27635299 [1,1,0,0,0,0|1,0,1]=4 2519 B6R0.3 CC(C=O)C(=O)O Amb27784775 [1,1,0,0,0,0|0,0,0]=2 2520 B6R0.3 CC(C=O)C(=O)[Na] Amb27439065 [1,1,0,0,0,0|1,0,0]=3 2521 B6R0.3 CC(C=O)S(C)=O Amb29849577 [1,1,0,0,0,0|1,0,0]=3 2522 B6R0.3 CC(CBr)C(=O)O Amb22002601 [1,1,0,0,0,0|1,0,1]=4 2523 B6R0.3 CC(CCl)C(=O)O Amb18522181 [1,1,0,0,0,0|1,0,1]=4 2524 B6R0.3 CC(CF)C(=O)O Amb24432331 [1,1,0,0,0,0|1,0,1]=4 2525 B6R0.3 CC(CN)C(=O)O Amb2699128 [1,1,0,0,0,0|1,0,1]=4 2526 B6R0.3 CC(CN)C(=O)O Amb6773978 [1,1,0,0,0,0|1,0,1]=4 2527 B6R0.3 CC(CN)C(=O)O Amb8631418 [1,1,0,0,0,0|1,0,1]=4 2528 B6R0.3 CC(CO)C(=O)O Amb8011522 [1,1,0,0,0,0|0,0,2]=4 2529 B6R0.3 CC(Cl)C(O)C=O Amb27848371 [1,1,0,0,0,0|1,0,1]=4 2530 B6R0.3 CC(N)C(O)C=O Amb28133361 [1,1,0,0,0,0|1,0,1]=4 2531 B6R0.3 CC(N=O)C(N)=O Amb26600137 [1,1,0,0,0,0|2,0,0]=4 2532 B6R0.3 CC(NN)C(=O)O Amb18640367 [1,1,0,0,0,0|2,0,0]=4 2533 B6R0.3 CC(O)C(Cl)C=O Amb28121057 [1,1,0,0,0,0|0,0,2]=4 2534 B6R0.3 CC(ON)C(=O)O Amb33038242 [1,1,0,0,0,0|2,0,0]=4 2535 B6R0.3 CC(S)C(C)C=O Amb27838214 [1,1,0,0,0,0|0,1,1]=4 2536 B6R0.3 CCC(=O)C(=O)O Amb3940359 [1,1,0,0,0,0|0,0,2]=4 2537 B6R0.3 CCC(=S)C(=O)O Amb27872099 [1,1,0,0,0,0|0,0,2]=4 2538 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [1,1,0,0,0,0|1,0,1]=4 2539 B6R0.3 CCC(Br)C(=O)Cl Amb17666758 [1,1,0,0,0,0|1,0,1]=4 2540 B6R0.3 CCC(Br)C(=O)O Amb5716858 [1,1,0,0,0,0|0,0,1]=3 2541 B6R0.3 CCC(Br)C(C)=O Amb24615269 [1,1,0,0,0,0|1,0,1]=4 2542 B6R0.3 CCC(Br)C(N)=O Amb13952819 [1,1,0,0,0,0|1,0,1]=4 2543 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [1,1,0,0,0,0|1,0,1]=4 2544 B6R0.3 CCC(C)C(=O)O Amb9703224 [1,1,0,0,0,0|0,0,1]=3 2545 B6R0.3 CCC(C)C(C)=O Amb4605996 [1,1,0,0,0,0|1,0,1]=4 2546 B6R0.3 CCC(C)C(N)=O Amb33548100 [1,1,0,0,0,0|1,0,1]=4 2547 B6R0.3 CCC(Cl)C(=O)Br Amb28384077 [1,1,0,0,0,0|1,0,1]=4 2548 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [1,1,0,0,0,0|1,0,1]=4 2549 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [1,1,0,0,0,0|0,0,1]=3 2550 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [1,1,0,0,0,0|1,0,1]=4 2551 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [1,1,0,0,0,0|1,0,1]=4 2552 B6R0.3 CCC(F)C(=O)O Amb25716167 [1,1,0,0,0,0|0,0,1]=3 2553 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [1,1,0,0,0,0|1,0,1]=4 2554 B6R0.3 CCC(N)C(=O)O Amb9729506 [1,1,0,0,0,0|0,0,1]=3 2555 B6R0.3 CCC(N)C(N)=O Amb1914080 [1,1,0,0,0,0|1,0,1]=4 2556 B6R0.3 CCC(N)C(N)=O Amb33528521 [1,1,0,0,0,0|1,0,1]=4 2557 B6R0.3 CCC(O)C(=O)O Amb6609018 [1,1,0,0,0,0|0,0,1]=3 2558 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [1,1,0,0,0,0|0,0,2]=4 2559 B6R0.3 CCC(O)C(C)=O Amb25336501 [1,1,0,0,0,0|1,0,1]=4 2560 B6R0.3 CCC(O)C(N)=O Amb24116514 [1,1,0,0,0,0|1,0,1]=4 2561 B6R0.3 CCC(S)C(=O)O Amb17501370 [1,1,0,0,0,0|0,0,1]=3 2562 B6R0.3 CCC(S)C(C)=O Amb8393170 [1,1,0,0,0,0|1,0,1]=4 2563 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [1,1,0,0,0,0|0,0,1]=3 2564 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [1,1,0,0,0,0|0,0,1]=3 2565 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [1,1,0,0,0,0|1,0,1]=4 2566 B6R0.3 CC[C@@H](Cl)C(=O)Cl Amb27985877 [1,1,0,0,0,0|1,0,1]=4 2567 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [1,1,0,0,0,0|0,0,1]=3 2568 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [1,1,0,0,0,0|1,0,1]=4 2569 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [1,1,0,0,0,0|0,0,1]=3 2570 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [1,1,0,0,0,0|0,0,1]=3 2571 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [1,1,0,0,0,0|1,0,1]=4 2572 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [1,1,0,0,0,0|1,0,1]=4 2573 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [1,1,0,0,0,0|1,0,1]=4 2574 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [1,1,0,0,0,0|0,0,1]=3 2575 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [1,1,0,0,0,0|1,0,1]=4 2576 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [1,1,0,0,0,0|0,0,1]=3 2577 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [1,1,0,0,0,0|1,0,1]=4 2578 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [1,1,0,0,0,0|0,0,1]=3 2579 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [1,1,0,0,0,0|1,0,1]=4 2580 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [1,1,0,0,0,0|0,0,1]=3 2581 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [1,1,0,0,0,0|0,0,1]=3 2582 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [1,1,0,0,0,0|0,0,1]=3 2583 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [1,1,0,0,0,0|1,0,1]=4 2584 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [1,1,0,0,0,0|1,0,1]=4 2585 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [1,1,0,0,0,0|1,0,1]=4 2586 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [1,1,0,0,0,0|0,0,1]=3 2587 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [1,1,0,0,0,0|0,0,1]=3 2588 B6R0.3 CNC(=O)C(=O)O Amb2691295 [1,1,0,0,0,0|1,0,1]=4 2589 B6R0.3 CNC(C)C(=O)O Amb19373699 [1,1,0,0,0,0|1,0,0]=3 2590 B6R0.3 CNC(C)C(=O)O Amb9271766 [1,1,0,0,0,0|1,0,0]=3 2591 B6R0.3 CNC(C)C(C)=O Amb24369529 [1,1,0,0,0,0|2,0,0]=4 2592 B6R0.3 CNC(C)C(N)=O Amb33527202 [1,1,0,0,0,0|2,0,0]=4 2593 B6R0.3 CNC(C)C(N)=O Amb7758120 [1,1,0,0,0,0|2,0,0]=4 2594 B6R0.3 CNC(O)C(=O)O Amb27229907 [1,1,0,0,0,0|1,0,0]=3 2595 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [1,1,0,0,0,0|1,0,0]=3 2596 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [1,1,0,0,0,0|1,0,0]=3 2597 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [1,1,0,0,0,0|2,0,0]=4 2598 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [1,1,0,0,0,0|2,0,0]=4 2599 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [1,1,0,0,0,0|1,0,0]=3 2600 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [1,1,0,0,0,0|2,0,0]=4 2601 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [1,1,0,0,0,0|2,0,0]=4 2602 B6R0.3 COC(=O)C(=O)O Amb33545007 [1,1,0,0,0,0|1,0,1]=4 2603 B6R0.3 COC(Br)C(=O)O Amb27439128 [1,1,0,0,0,0|1,0,0]=3 2604 B6R0.3 COC(Br)C(C)=O Amb25360111 [1,1,0,0,0,0|2,0,0]=4 2605 B6R0.3 COC(C)C(=O)Cl Amb26005661 [1,1,0,0,0,0|2,0,0]=4 2606 B6R0.3 COC(C)C(=O)O Amb9729215 [1,1,0,0,0,0|1,0,0]=3 2607 B6R0.3 COC(C)C(C)=O Amb9666021 [1,1,0,0,0,0|2,0,0]=4 2608 B6R0.3 COC(C)C(N)=O Amb6541307 [1,1,0,0,0,0|2,0,0]=4 2609 B6R0.3 COC(Cl)C(=O)O Amb28280799 [1,1,0,0,0,0|1,0,0]=3 2610 B6R0.3 COC(Cl)C(C)=O Amb28118971 [1,1,0,0,0,0|2,0,0]=4 2611 B6R0.3 COC(F)C(=O)O Amb27764863 [1,1,0,0,0,0|1,0,0]=3 2612 B6R0.3 COC(F)C(=O)[O-] Amb33447021 [1,1,0,0,0,0|1,0,1]=4 2613 B6R0.3 COC(O)C(C)=O Amb27954086 [1,1,0,0,0,0|2,0,0]=4 2614 B6R0.3 CO[C@@H](C)C(=O)Cl Amb26562182 [1,1,0,0,0,0|2,0,0]=4 2615 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [1,1,0,0,0,0|1,0,0]=3 2616 B6R0.3 CO[C@@H](C)C(N)=O Amb8515768 [1,1,0,0,0,0|2,0,0]=4 2617 B6R0.3 CO[C@H](C)C(=O)Cl Amb27588755 [1,1,0,0,0,0|2,0,0]=4 2618 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [1,1,0,0,0,0|1,0,0]=3 2619 B6R0.3 CO[C@H](C)C(N)=O Amb17617080 [1,1,0,0,0,0|2,0,0]=4 2620 B6R0.3 CSC(C)C(=O)O Amb6274567 [1,1,0,0,0,0|1,0,0]=3 2621 B6R0.3 CSC(C)C(N)=O Amb28047863 [1,1,0,0,0,0|2,0,0]=4 2622 B6R0.3 CSC(Cl)C(=O)Cl Amb27392297 [1,1,0,0,0,0|2,0,0]=4 2623 B6R0.3 CSC(N)C(=O)O Amb28383509 [1,1,0,0,0,0|1,0,0]=3 2624 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [1,1,0,0,0,0|1,0,0]=3 2625 B6R0.3 C[C@@H](C=O)N(C)C Amb27268446 [1,1,0,0,0,0|2,0,0]=4 2626 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [1,1,0,0,0,0|1,0,1]=4 2627 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [1,1,0,0,0,0|1,0,1]=4 2628 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [1,1,0,0,0,0|1,0,1]=4 2629 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [1,1,0,0,0,0|1,0,1]=4 2630 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [1,1,0,0,0,0|0,0,2]=4 2631 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [1,1,0,0,0,0|1,0,1]=4 2632 B6R0.3 C[C@@H](Cl)[C@H](Br)C=O Amb27858842 [1,1,0,0,0,0|1,0,1]=4 2633 B6R0.3 C[C@@H](O)[C@H](N)C=O Amb27657440 [1,1,0,0,0,0|0,0,2]=4 2634 B6R0.3 C[C@@H](ON)C(=O)O Amb27169414 [1,1,0,0,0,0|2,0,0]=4 2635 B6R0.3 C[C@@H](ON)C(=O)O Amb33620846 [1,1,0,0,0,0|2,0,0]=4 2636 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [1,1,0,0,0,0|1,0,1]=4 2637 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [1,1,0,0,0,0|1,0,1]=4 2638 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [1,1,0,0,0,0|1,0,1]=4 2639 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [1,1,0,0,0,0|1,0,1]=4 2640 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [1,1,0,0,0,0|0,0,2]=4 2641 B6R0.3 C[C@H](NBr)C(=O)O Amb28050211 [1,1,0,0,0,0|2,0,0]=4 2642 B6R0.3 C[C@H](NN)C(=O)O Amb28247936 [1,1,0,0,0,0|2,0,0]=4 2643 B6R0.3 C[C@H](O)[C@H](O)C=O Amb28434698 [1,1,0,0,0,0|0,0,2]=4 2644 B6R0.3 C[C@H](ON)C(=O)O Amb25853808 [1,1,0,0,0,0|2,0,0]=4 2645 B6R0.3 C[C@H](ON)C(=O)O Amb33620847 [1,1,0,0,0,0|2,0,0]=4 2646 B6R0.3 C\C(=C/Br)C(=O)O Amb4014496 [1,1,0,0,0,0|1,0,1]=4 2647 B6R0.3 C\C(=C/F)C(=O)O Amb27469080 [1,1,0,0,0,0|1,0,1]=4 2648 B6R0.3 C\C(=C/I)C(=O)O Amb27838211 [1,1,0,0,0,0|1,0,1]=4 2649 B6R0.3 C\C(Br)=C(/C)C=O Amb18645749 [1,1,0,0,0,0|1,0,1]=4 2650 B6R0.3 C\C(Cl)=C(\C)C=O Amb27403540 [1,1,0,0,0,0|1,0,1]=4 2651 B6R0.3 C\C(O)=C(/C)C=O Amb27238606 [1,1,0,0,0,0|0,0,2]=4 2652 B6R0.3 C\C(O)=C(\Br)C=O Amb27643424 [1,1,0,0,0,0|0,0,2]=4 2653 B6R0.3 C\C(O)=C(\C)C=O Amb27210577 [1,1,0,0,0,0|0,0,2]=4 2654 B6R0.3 C\C(S)=C(/C)C=O Amb18641908 [1,1,0,0,0,0|0,1,1]=4 2655 B6R0.3 C\C=C(/Br)C(=O)O Amb18646193 [1,1,0,0,0,0|0,0,1]=3 2656 B6R0.3 C\C=C(/C)C(=O)Cl Amb8395514 [1,1,0,0,0,0|1,0,1]=4 2657 B6R0.3 C\C=C(/C)C(=O)O Amb33723768 [1,1,0,0,0,0|0,0,1]=3 2658 B6R0.3 C\C=C(/C)C(C)=O Amb2725616 [1,1,0,0,0,0|1,0,1]=4 2659 B6R0.3 C\C=C(/F)C(=O)O Amb32663762 [1,1,0,0,0,0|0,0,1]=3 2660 B6R0.3 C\C=C(/O)C(=O)O Amb22727962 [1,1,0,0,0,0|0,0,1]=3 2661 B6R0.3 C\C=C(/O)C(N)=O Amb27837997 [1,1,0,0,0,0|1,0,1]=4 2662 B6R0.3 C\C=C(\Br)C(=O)O Amb4014486 [1,1,0,0,0,0|0,0,1]=3 2663 B6R0.3 C\C=C(\Br)C(N)=O Amb25919697 [1,1,0,0,0,0|1,0,1]=4 2664 B6R0.3 C\C=C(\C)C(=O)O Amb3445181 [1,1,0,0,0,0|0,0,1]=3 2665 B6R0.3 C\C=C(\C)C(N)=O Amb28318688 [1,1,0,0,0,0|1,0,1]=4 2666 B6R0.3 C\C=C(\Cl)C(=O)O Amb28073985 [1,1,0,0,0,0|0,0,1]=3 2667 B6R0.3 C\C=C(\I)C(=O)O Amb27841305 [1,1,0,0,0,0|0,0,1]=3 2668 B6R0.3 N#CC(N)C(=O)O Amb25328320 [1,1,0,0,0,0|1,0,1]=4 2669 B6R0.3 N#CC(O)C(=O)O Amb27467286 [1,1,0,0,0,0|1,0,1]=4 2670 B6R0.3 NC(=O)C(N)CO Amb17593097 [1,1,0,0,0,0|1,0,1]=4 2671 B6R0.3 NC(=O)C(N)CO Amb2720301 [1,1,0,0,0,0|1,0,1]=4 2672 B6R0.3 NC(=O)C(O)CO Amb27169520 [1,1,0,0,0,0|1,0,1]=4 2673 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [1,1,0,0,0,0|1,0,1]=4 2674 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [1,1,0,0,0,0|1,0,1]=4 2675 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [1,1,0,0,0,0|1,0,1]=4 2676 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [1,1,0,0,0,0|1,0,1]=4 2677 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [1,1,0,0,0,0|1,0,1]=4 2678 B6R0.3 NC(CCl)C(=O)O Amb19651457 [1,1,0,0,0,0|1,0,1]=4 2679 B6R0.3 NC(CCl)C(=O)O Amb21961077 [1,1,0,0,0,0|1,0,1]=4 2680 B6R0.3 NC(CF)C(=O)O Amb10839589 [1,1,0,0,0,0|1,0,1]=4 2681 B6R0.3 NC(CO)C(=O)O Amb9702805 [1,1,0,0,0,0|0,0,2]=4 2682 B6R0.3 NC(CP)C(=O)O Amb27234251 [1,1,0,0,0,0|1,0,1]=4 2683 B6R0.3 NC(CS)C(=O)O Amb13961966 [1,1,0,0,0,0|0,1,1]=4 2684 B6R0.3 NC(CS)C(=O)O Amb22489523 [1,1,0,0,0,0|0,1,1]=4 2685 B6R0.3 NC(CS)C(=O)O Amb6537913 [1,1,0,0,0,0|0,1,1]=4 2686 B6R0.3 NC(CS)C(=O)O Amb6537914 [1,1,0,0,0,0|0,1,1]=4 2687 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [1,1,0,0,0,0|1,0,1]=4 2688 B6R0.3 NCC(Br)C(=O)O Amb28385732 [1,1,0,0,0,0|1,0,1]=4 2689 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [1,1,0,0,0,0|1,0,1]=4 2690 B6R0.3 NCC(F)C(=O)O Amb22733051 [1,1,0,0,0,0|1,0,1]=4 2691 B6R0.3 NCC(F)C(=O)O Amb2688010 [1,1,0,0,0,0|1,0,1]=4 2692 B6R0.3 NCC(N)C(=O)O Amb22899095 [1,1,0,0,0,0|1,0,1]=4 2693 B6R0.3 NCC(N)C(=O)O Amb2697095 [1,1,0,0,0,0|1,0,1]=4 2694 B6R0.3 NCC(N)C(=O)O Amb8514284 [1,1,0,0,0,0|1,0,1]=4 2695 B6R0.3 NCC(O)C(=O)O Amb8517492 [1,1,0,0,0,0|1,0,1]=4 2696 B6R0.3 NCC(S)C(=O)O Amb17593238 [1,1,0,0,0,0|1,0,1]=4 2697 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [1,1,0,0,0,0|1,0,1]=4 2698 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [1,1,0,0,0,0|1,0,1]=4 2699 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [1,1,0,0,0,0|1,0,1]=4 2700 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [1,1,0,0,0,0|1,0,1]=4 2701 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [1,1,0,0,0,0|1,0,1]=4 2702 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [1,1,0,0,0,0|1,0,1]=4 2703 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [1,1,0,0,0,0|1,0,1]=4 2704 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [1,1,0,0,0,0|1,0,1]=4 2705 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [1,1,0,0,0,0|1,0,1]=4 2706 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [1,1,0,0,0,0|1,0,1]=4 2707 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [1,1,0,0,0,0|1,0,1]=4 2708 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [1,1,0,0,0,0|0,1,0]=3 2709 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [1,1,0,0,0,0|1,0,1]=4 2710 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [1,1,0,0,0,0|1,0,1]=4 2711 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [1,1,0,0,0,0|1,0,1]=4 2712 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [1,1,0,0,0,0|0,0,2]=4 2713 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [1,1,0,0,0,0|0,0,2]=4 2714 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [1,1,0,0,0,0|0,1,1]=4 2715 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [1,1,0,0,0,0|0,1,1]=4 2716 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [1,1,0,0,0,0|0,1,1]=4 2717 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [1,1,0,0,0,0|0,1,1]=4 2718 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [1,1,0,0,0,0|1,0,1]=4 2719 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [1,1,0,0,0,0|1,0,1]=4 2720 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [1,1,0,0,0,0|1,0,1]=4 2721 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [1,1,0,0,0,0|0,0,2]=4 2722 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [1,1,0,0,0,0|0,1,1]=4 2723 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [1,1,0,0,0,0|0,1,1]=4 2724 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [1,1,0,0,0,0|0,1,1]=4 2725 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [1,1,0,0,0,0|1,0,1]=4 2726 B6R0.3 O=C(O)C(Br)CF Amb10605519 [1,1,0,0,0,0|1,0,1]=4 2727 B6R0.3 O=C(O)C(Br)CO Amb18126327 [1,1,0,0,0,0|0,0,2]=4 2728 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [1,1,0,0,0,0|1,0,1]=4 2729 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [1,1,0,0,0,0|0,0,2]=4 2730 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [1,1,0,0,0,0|0,1,1]=4 2731 B6R0.3 O=C(O)C(F)CO Amb17593117 [1,1,0,0,0,0|0,0,2]=4 2732 B6R0.3 O=C(O)C(O)CBr Amb24061932 [1,1,0,0,0,0|1,0,1]=4 2733 B6R0.3 O=C(O)C(O)CCl Amb6371692 [1,1,0,0,0,0|1,0,1]=4 2734 B6R0.3 O=C(O)C(O)CF Amb27476477 [1,1,0,0,0,0|1,0,1]=4 2735 B6R0.3 O=C(O)C(O)CO Amb17593103 [1,1,0,0,0,0|0,0,2]=4 2736 B6R0.3 O=C(O)C(O)CS Amb18642053 [1,1,0,0,0,0|0,1,1]=4 2737 B6R0.3 O=C(O)C(S)CS Amb18643295 [1,1,0,0,0,0|0,1,1]=4 2738 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [1,1,0,0,0,0|0,0,2]=4 2739 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [1,1,0,0,0,0|0,0,2]=4 2740 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [1,1,0,0,0,0|1,0,1]=4 2741 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [1,1,0,0,0,0|1,0,1]=4 2742 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [1,1,0,0,0,0|1,0,1]=4 2743 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [1,1,0,0,0,0|0,0,2]=4 2744 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [1,1,0,0,0,0|0,0,2]=4 2745 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [1,1,0,0,0,0|1,0,1]=4 2746 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [1,1,0,0,0,0|1,0,1]=4 2747 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [1,1,0,0,0,0|0,0,2]=4 2748 B6R0.3 O=C(O)\C(Cl)=C/Cl Amb17593560 [1,1,0,0,0,0|1,0,1]=4 2749 B6R0.3 O=C(O)\C(Cl)=C/O Amb24479774 [1,1,0,0,0,0|0,0,2]=4 2750 B6R0.3 O=C(O)\C(Cl)=C\Cl Amb32409784 [1,1,0,0,0,0|1,0,1]=4 2751 B6R0.3 O=C(O)\C(O)=C/O Amb27220871 [1,1,0,0,0,0|0,0,2]=4 2752 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [1,1,0,0,0,0|0,0,0]=2 2753 B6R0.3 O=CC(F)C(=O)O Amb22055301 [1,1,0,0,0,0|0,0,0]=2 2754 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [1,1,0,0,0,0|0,0,0]=2 2755 B6R0.3 [C-]#[N+]C(C)C(=O)O Amb27974746 [1,1,0,0,0,0|1,0,1]=4 2756 B6R0.4 C#CCCC(=O)O Amb33532622 [1,1,0,0,0,0|0,0,2]=4 2757 B6R0.4 C#CCCC(C)=O Amb8869638 [1,1,0,0,0,0|1,0,1]=4 2758 B6R0.4 C#CCNC(C)=O Amb20623038 [1,1,0,0,0,0|1,0,1]=4 2759 B6R0.4 C#CCOC(C)=O Amb8517415 [1,1,0,0,0,0|1,0,1]=4 2760 B6R0.4 C#CCSC(C)=O Amb32683409 [1,1,0,0,0,0|1,0,1]=4 2761 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [1,1,0,0,0,0|0,0,2]=4 2762 B6R0.4 C=C(C)C#CC=O Amb28050124 [1,1,0,0,0,0|1,0,1]=4 2763 B6R0.4 C=C(C)CCCO Amb22886814 [1,1,0,0,0,0|1,0,1]=4 2764 B6R0.4 C=C(C)CCOC Amb33546340 [1,1,0,0,0,0|1,0,1]=4 2765 B6R0.4 C=C(C)CCON Amb25862621 [1,1,0,0,0,0|1,0,1]=4 2766 B6R0.4 C=C(C)CN=C=O Amb26456601 [1,1,0,0,0,0|1,0,1]=4 2767 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [1,1,0,0,0,0|1,0,1]=4 2768 B6R0.4 C=C(C)\C=C\CO Amb33473880 [1,1,0,0,0,0|1,0,1]=4 2769 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,1,0,0,0,0|0,0,1]=3 2770 B6R0.4 C=CCCC(=C)C Amb22228883 [1,1,0,0,0,0|2,0,0]=4 2771 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,1,0,0,0,0|1,0,1]=4 2772 B6R0.4 C=CCCC(=O)O Amb3940112 [1,1,0,0,0,0|0,0,1]=3 2773 B6R0.4 C=CCCC(C)=O Amb2721704 [1,1,0,0,0,0|1,0,0]=3 2774 B6R0.4 C=CCCC(N)=O Amb28136349 [1,1,0,0,0,0|1,0,1]=4 2775 B6R0.4 C=CCNC(C)=N Amb24618156 [1,1,0,0,0,0|2,0,0]=4 2776 B6R0.4 C=CCNC(C)=O Amb5797445 [1,1,0,0,0,0|1,0,0]=3 2777 B6R0.4 C=CCNC(N)=O Amb6599864 [1,1,0,0,0,0|1,0,1]=4 2778 B6R0.4 C=CCOC(=O)Cl Amb6600570 [1,1,0,0,0,0|1,0,1]=4 2779 B6R0.4 C=CCOC(N)=O Amb4017585 [1,1,0,0,0,0|1,0,1]=4 2780 B6R0.4 C=CNCC(=O)O Amb28346027 [1,1,0,0,0,0|0,0,1]=3 2781 B6R0.4 C=COCC(=C)C Amb26873422 [1,1,0,0,0,0|2,0,0]=4 2782 B6R0.4 C=COCC(=O)O Amb27247261 [1,1,0,0,0,0|0,0,1]=3 2783 B6R0.4 C=COCC(C)=O Amb27838258 [1,1,0,0,0,0|1,0,0]=3 2784 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [1,1,0,0,0,0|1,0,1]=4 2785 B6R0.4 CC#CCC(=O)O Amb17939740 [1,1,0,0,0,0|0,0,1]=3 2786 B6R0.4 CC#CCC(C)=O Amb27648528 [1,1,0,0,0,0|1,0,1]=4 2787 B6R0.4 CC(=O)CC#CO Amb27463647 [1,1,0,0,0,0|0,0,1]=3 2788 B6R0.4 CC(=O)CCC#N Amb17334046 [1,1,0,0,0,0|1,0,1]=4 2789 B6R0.4 CC(=O)CCC=O Amb18639597 [1,1,0,0,0,0|0,0,0]=2 2790 B6R0.4 CC(=O)CCCBr Amb8394105 [1,1,0,0,0,0|1,0,1]=4 2791 B6R0.4 CC(=O)CCCCl Amb3940272 [1,1,0,0,0,0|1,0,1]=4 2792 B6R0.4 CC(=O)CCCF Amb25068187 [1,1,0,0,0,0|1,0,1]=4 2793 B6R0.4 CC(=O)CCCN Amb18121547 [1,1,0,0,0,0|1,0,1]=4 2794 B6R0.4 CC(=O)CCCN Amb32661221 [1,1,0,0,0,0|1,0,1]=4 2795 B6R0.4 CC(=O)CCCN Amb32661286 [1,1,0,0,0,0|1,0,1]=4 2796 B6R0.4 CC(=O)CCCO Amb3940340 [1,1,0,0,0,0|0,0,1]=3 2797 B6R0.4 CC(=O)CN=C=S Amb27490781 [1,1,0,0,0,0|0,1,1]=4 2798 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [1,1,0,0,0,0|2,0,0]=4 2799 B6R0.4 CC(=O)CSC#N Amb9788383 [1,1,0,0,0,0|1,0,1]=4 2800 B6R0.4 CC(=O)C\C=N\O Amb27750272 [1,1,0,0,0,0|0,0,0]=2 2801 B6R0.4 CC(=O)NCC#N Amb3886527 [1,1,0,0,0,0|1,0,1]=4 2802 B6R0.4 CC(=O)NCC=O Amb25757509 [1,1,0,0,0,0|0,0,0]=2 2803 B6R0.4 CC(=O)NCCBr Amb4311522 [1,1,0,0,0,0|1,0,1]=4 2804 B6R0.4 CC(=O)NCCCl Amb423758 [1,1,0,0,0,0|1,0,1]=4 2805 B6R0.4 CC(=O)NCCN Amb1218225 [1,1,0,0,0,0|1,0,1]=4 2806 B6R0.4 CC(=O)NCCO Amb2720909 [1,1,0,0,0,0|0,0,1]=3 2807 B6R0.4 CC(=O)NCCS Amb22230992 [1,1,0,0,0,0|0,1,1]=4 2808 B6R0.4 CC(=O)N\C=C/S Amb27246451 [1,1,0,0,0,0|0,1,1]=4 2809 B6R0.4 CC(=O)N\C=C\Cl Amb28132682 [1,1,0,0,0,0|1,0,1]=4 2810 B6R0.4 CC(=O)N\C=N\O Amb27255534 [1,1,0,0,0,0|1,0,0]=3 2811 B6R0.4 CC(=O)OCC#N Amb9677308 [1,1,0,0,0,0|1,0,1]=4 2812 B6R0.4 CC(=O)OCCBr Amb3940209 [1,1,0,0,0,0|1,0,1]=4 2813 B6R0.4 CC(=O)OCCN Amb18121947 [1,1,0,0,0,0|1,0,1]=4 2814 B6R0.4 CC(=O)OCCN Amb28827650 [1,1,0,0,0,0|1,0,1]=4 2815 B6R0.4 CC(=O)OCCO Amb3941004 [1,1,0,0,0,0|0,0,1]=3 2816 B6R0.4 CC(=O)O\C=C/Br Amb27484017 [1,1,0,0,0,0|1,0,1]=4 2817 B6R0.4 CC(=O)SCC=O Amb27873378 [1,1,0,0,0,0|0,0,0]=2 2818 B6R0.4 CC(=O)SCCBr Amb24608039 [1,1,0,0,0,0|1,0,1]=4 2819 B6R0.4 CC(=O)SCCN Amb21953963 [1,1,0,0,0,0|1,0,1]=4 2820 B6R0.4 CC(=O)SCCN Amb22011516 [1,1,0,0,0,0|1,0,1]=4 2821 B6R0.4 CC(=O)SCCN Amb31291049 [1,1,0,0,0,0|1,0,1]=4 2822 B6R0.4 CC(=O)SCCO Amb27481182 [1,1,0,0,0,0|0,0,1]=3 2823 B6R0.4 CC(=O)\C=C/C#N Amb28050527 [1,1,0,0,0,0|1,0,1]=4 2824 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [1,1,0,0,0,0|0,0,1]=3 2825 B6R0.4 CC(=O)\C=C\CCl Amb25378305 [1,1,0,0,0,0|1,0,1]=4 2826 B6R0.4 CC(=O)\C=C\CF Amb33379250 [1,1,0,0,0,0|1,0,1]=4 2827 B6R0.4 CC(=S)SCCO Amb28350218 [1,1,0,0,0,0|0,1,1]=4 2828 B6R0.4 CC(C)=C=CCO Amb17593073 [1,1,0,0,0,0|1,0,1]=4 2829 B6R0.4 CC(C)=CCC=O Amb18120881 [1,1,0,0,0,0|1,0,0]=3 2830 B6R0.4 CC(C)=CCCO Amb22002283 [1,1,0,0,0,0|1,0,1]=4 2831 B6R0.4 CC(C)=CNC=O Amb27973472 [1,1,0,0,0,0|1,0,1]=4 2832 B6R0.4 CC(C)=NCCO Amb27612560 [1,1,0,0,0,0|1,0,1]=4 2833 B6R0.4 CC(C)=NNC=O Amb2419224 [1,1,0,0,0,0|2,0,0]=4 2834 B6R0.4 CC(C)CCC=O Amb17673735 [1,1,0,0,0,0|1,0,1]=4 2835 B6R0.4 CC(C)COC=O Amb8513682 [1,1,0,0,0,0|1,0,1]=4 2836 B6R0.4 CC(C)OCC=O Amb25820659 [1,1,0,0,0,0|1,0,1]=4 2837 B6R0.4 CC(C)SCC=O Amb24479811 [1,1,0,0,0,0|1,0,1]=4 2838 B6R0.4 CC(Cl)CCC=O Amb18124284 [1,1,0,0,0,0|1,0,1]=4 2839 B6R0.4 CC(O)CCC=O Amb17593090 [1,1,0,0,0,0|0,0,2]=4 2840 B6R0.4 CC(O)COC=O Amb27436963 [1,1,0,0,0,0|0,0,2]=4 2841 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,1,0,0,0,0|0,0,1]=3 2842 B6R0.4 CC=C=C[PH](=O)O Amb27430355 [1,1,0,0,0,0|1,0,1]=4 2843 B6R0.4 CCC#CC(=O)O Amb6336503 [1,1,0,0,0,0|0,0,2]=4 2844 B6R0.4 CCCCC(=O)Cl Amb3939066 [1,1,0,0,0,0|1,0,1]=4 2845 B6R0.4 CCCCC(=O)O Amb3939877 [1,1,0,0,0,0|0,0,1]=3 2846 B6R0.4 CCCCC(=O)[O-] Amb22056343 [1,1,0,0,0,0|0,0,2]=4 2847 B6R0.4 CCCCC(C)=O Amb6608652 [1,1,0,0,0,0|1,0,1]=4 2848 B6R0.4 CCCCC(N)=O Amb6891958 [1,1,0,0,0,0|1,0,1]=4 2849 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,1,0,0,0,0|1,0,1]=4 2850 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,1,0,0,0,0|1,0,1]=4 2851 B6R0.4 CCCNC(C)=O Amb5835710 [1,1,0,0,0,0|1,0,1]=4 2852 B6R0.4 CCCNC(N)=O Amb1152241 [1,1,0,0,0,0|1,0,1]=4 2853 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,1,0,0,0,0|1,0,1]=4 2854 B6R0.4 CCCOC(=O)F Amb32667886 [1,1,0,0,0,0|1,0,1]=4 2855 B6R0.4 CCCOC(N)=O Amb6334809 [1,1,0,0,0,0|1,0,1]=4 2856 B6R0.4 CCCSC(C)=O Amb22043301 [1,1,0,0,0,0|1,0,1]=4 2857 B6R0.4 CCCSC(N)=O Amb27167907 [1,1,0,0,0,0|1,0,1]=4 2858 B6R0.4 CCNCC(=O)Cl Amb27948279 [1,1,0,0,0,0|1,0,1]=4 2859 B6R0.4 CCNCC(=O)O Amb10609667 [1,1,0,0,0,0|0,0,1]=3 2860 B6R0.4 CCNCC(=O)O Amb7764661 [1,1,0,0,0,0|0,0,1]=3 2861 B6R0.4 CCNCC(C)=O Amb24545893 [1,1,0,0,0,0|1,0,1]=4 2862 B6R0.4 CCNCC(C)=O Amb32661185 [1,1,0,0,0,0|1,0,1]=4 2863 B6R0.4 CCNCC(N)=O Amb1128676 [1,1,0,0,0,0|1,0,1]=4 2864 B6R0.4 CCNCC(N)=O Amb4035424 [1,1,0,0,0,0|1,0,1]=4 2865 B6R0.4 CCOCC(=O)Cl Amb33528415 [1,1,0,0,0,0|1,0,1]=4 2866 B6R0.4 CCOCC(=O)O Amb3939880 [1,1,0,0,0,0|0,0,1]=3 2867 B6R0.4 CCOCC(=O)S Amb27813482 [1,1,0,0,0,0|0,1,1]=4 2868 B6R0.4 CCOCC(C)=O Amb9666086 [1,1,0,0,0,0|1,0,1]=4 2869 B6R0.4 CCPCC(=O)O Amb28321137 [1,1,0,0,0,0|0,0,1]=3 2870 B6R0.4 CCSCC(=O)O Amb1125185 [1,1,0,0,0,0|0,0,1]=3 2871 B6R0.4 CCSCC(C)=O Amb4018179 [1,1,0,0,0,0|1,0,1]=4 2872 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,1,0,0,0,0|0,0,1]=3 2873 B6R0.4 CC\C=C/C(C)=O Amb27835645 [1,1,0,0,0,0|1,0,1]=4 2874 B6R0.4 CC\C=C\C(=O)Cl Amb2690073 [1,1,0,0,0,0|1,0,1]=4 2875 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,1,0,0,0,0|0,0,1]=3 2876 B6R0.4 CC\C=C\C(C)=O Amb26022886 [1,1,0,0,0,0|1,0,1]=4 2877 B6R0.4 CC\C=C\C(N)=O Amb25770876 [1,1,0,0,0,0|1,0,1]=4 2878 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,1,0,0,0,0|0,0,2]=4 2879 B6R0.4 CN(C)CCC=O Amb22001057 [1,1,0,0,0,0|2,0,0]=4 2880 B6R0.4 CN(C)CNC=O Amb27216675 [1,1,0,0,0,0|2,0,0]=4 2881 B6R0.4 CNCCC(=O)Cl Amb27422890 [1,1,0,0,0,0|1,0,1]=4 2882 B6R0.4 CNCCC(=O)O Amb10609760 [1,1,0,0,0,0|0,0,1]=3 2883 B6R0.4 CNCCC(=O)O Amb7766400 [1,1,0,0,0,0|0,0,1]=3 2884 B6R0.4 CNCCC(C)=O Amb24560306 [1,1,0,0,0,0|1,0,1]=4 2885 B6R0.4 CNCCC(C)=O Amb28827637 [1,1,0,0,0,0|1,0,1]=4 2886 B6R0.4 CNCCC(N)=O Amb19959913 [1,1,0,0,0,0|1,0,1]=4 2887 B6R0.4 CNCCC(N)=O Amb33538309 [1,1,0,0,0,0|1,0,1]=4 2888 B6R0.4 CN\C=C\C(C)=O Amb17593076 [1,1,0,0,0,0|1,0,1]=4 2889 B6R0.4 COCCC(=O)Cl Amb2689274 [1,1,0,0,0,0|1,0,1]=4 2890 B6R0.4 COCCC(=O)O Amb3938990 [1,1,0,0,0,0|0,0,1]=3 2891 B6R0.4 COCCC(C)=O Amb7764907 [1,1,0,0,0,0|0,0,1]=3 2892 B6R0.4 COCCC(N)=O Amb33538943 [1,1,0,0,0,0|1,0,1]=4 2893 B6R0.4 COCNC(N)=O Amb25744350 [1,1,0,0,0,0|2,0,0]=4 2894 B6R0.4 CONCC(N)=O Amb28455463 [1,1,0,0,0,0|2,0,0]=4 2895 B6R0.4 CO\C=C/C(C)=O Amb27264758 [1,1,0,0,0,0|0,0,1]=3 2896 B6R0.4 CO\C=C\C(=O)Cl Amb25349516 [1,1,0,0,0,0|1,0,1]=4 2897 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,1,0,0,0,0|0,0,1]=3 2898 B6R0.4 CO\C=C\C(C)=O Amb8385700 [1,1,0,0,0,0|0,0,1]=3 2899 B6R0.4 CO\C=C\C(N)=O Amb27153308 [1,1,0,0,0,0|1,0,1]=4 2900 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,1,0,0,0,0|1,0,1]=4 2901 B6R0.4 CSC#CC(=O)O Amb33309663 [1,1,0,0,0,0|0,0,2]=4 2902 B6R0.4 CSCCC(=O)O Amb3939879 [1,1,0,0,0,0|0,0,1]=3 2903 B6R0.4 CSCCC(C)=O Amb8392858 [1,1,0,0,0,0|0,1,1]=4 2904 B6R0.4 CSCSC(C)=O Amb27876851 [1,1,0,0,0,0|2,0,0]=4 2905 B6R0.4 CSSCC(=O)O Amb25378801 [1,1,0,0,0,0|1,0,0]=3 2906 B6R0.4 CS\C=C/C(C)=O Amb27471812 [1,1,0,0,0,0|0,1,1]=4 2907 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,1,0,0,0,0|0,0,1]=3 2908 B6R0.4 C[C@@H](Cl)CCC=O Amb27595266 [1,1,0,0,0,0|1,0,1]=4 2909 B6R0.4 C[C@H](Cl)CCC=O Amb28141995 [1,1,0,0,0,0|1,0,1]=4 2910 B6R0.4 C[C@H](O)CCC=O Amb27188424 [1,1,0,0,0,0|0,0,2]=4 2911 B6R0.4 C\C(Cl)=C\CCO Amb27956430 [1,1,0,0,0,0|1,0,1]=4 2912 B6R0.4 C\C(N)=N\CCO Amb26857579 [1,1,0,0,0,0|1,0,1]=4 2913 B6R0.4 C\C(N)=N\OC=O Amb27655517 [1,1,0,0,0,0|2,0,0]=4 2914 B6R0.4 C\C=C/CB(O)O Amb27620496 [1,1,0,0,0,0|1,0,1]=4 2915 B6R0.4 C\C=C\CC(=N)N Amb25176208 [1,1,0,0,0,0|2,0,0]=4 2916 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,1,0,0,0,0|0,0,0]=2 2917 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,1,0,0,0,0|1,0,0]=3 2918 B6R0.4 C\C=C\CS(=O)[O-] Amb26887775 [1,1,0,0,0,0|1,0,1]=4 2919 B6R0.4 C\C=C\C[C@H](C)O Amb27662307 [1,1,0,0,0,0|1,0,1]=4 2920 B6R0.4 C\C=N\NC(N)=O Amb24351023 [1,1,0,0,0,0|2,0,0]=4 2921 B6R0.4 C\N=C\CC(C)=O Amb28202181 [1,1,0,0,0,0|1,0,0]=3 2922 B6R0.4 N#CCCC(=O)O Amb2694975 [1,1,0,0,0,0|0,0,2]=4 2923 B6R0.4 N#C\C=C\C(=O)O Amb25853809 [1,1,0,0,0,0|0,0,2]=4 2924 B6R0.4 N=CNCC(=O)Cl Amb27216499 [1,1,0,0,0,0|2,0,0]=4 2925 B6R0.4 N=CNCC(=O)O Amb24670244 [1,1,0,0,0,0|1,0,0]=3 2926 B6R0.4 NC(=O)CCCCl Amb1138237 [1,1,0,0,0,0|1,0,1]=4 2927 B6R0.4 NC(=O)CCCF Amb28073400 [1,1,0,0,0,0|1,0,1]=4 2928 B6R0.4 NC(=O)CCCO Amb20623438 [1,1,0,0,0,0|1,0,1]=4 2929 B6R0.4 NC(=O)CCCS Amb27174778 [1,1,0,0,0,0|1,0,1]=4 2930 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [1,1,0,0,0,0|1,0,1]=4 2931 B6R0.4 NC(=O)NCCO Amb1146041 [1,1,0,0,0,0|1,0,1]=4 2932 B6R0.4 NC(=O)NNC=O Amb27874930 [1,1,0,0,0,0|2,0,0]=4 2933 B6R0.4 NC(=O)OCCO Amb20623788 [1,1,0,0,0,0|1,0,1]=4 2934 B6R0.4 NC(=S)CNC=O Amb24479904 [1,1,0,0,0,0|1,1,0]=4 2935 B6R0.4 NCC#CC(=O)O Amb25703096 [1,1,0,0,0,0|0,0,2]=4 2936 B6R0.4 NCC#CC(=O)O Amb32666878 [1,1,0,0,0,0|0,0,2]=4 2937 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,1,0,0,0,0|1,0,1]=4 2938 B6R0.4 NCCCC(=O)O Amb1935210 [1,1,0,0,0,0|0,0,1]=3 2939 B6R0.4 NCCCC(N)=O Amb2099583 [1,1,0,0,0,0|1,0,1]=4 2940 B6R0.4 NCCCC(N)=O Amb6543438 [1,1,0,0,0,0|1,0,1]=4 2941 B6R0.4 NCCCS(=O)O Amb25185942 [1,1,0,0,0,0|1,0,1]=4 2942 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,1,0,0,0,0|1,0,1]=4 2943 B6R0.4 NC\C=C/C(=O)O Amb24117018 [1,1,0,0,0,0|0,0,1]=3 2944 B6R0.4 NC\C=C\C(=O)O Amb33422010 [1,1,0,0,0,0|0,0,1]=3 2945 B6R0.4 NC\C=C\C(=O)O Amb33422035 [1,1,0,0,0,0|0,0,1]=3 2946 B6R0.4 NNCCC(=O)O Amb33756816 [1,1,0,0,0,0|1,0,1]=4 2947 B6R0.4 NOCCC(=O)O Amb17569891 [1,1,0,0,0,0|0,0,2]=4 2948 B6R0.4 NOCCC(=O)O Amb32693437 [1,1,0,0,0,0|0,0,2]=4 2949 B6R0.4 NOCCC(N)=O Amb27838275 [1,1,0,0,0,0|1,0,1]=4 2950 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,1,0,0,0,0|1,0,1]=4 2951 B6R0.4 O=C(Cl)CCCBr Amb3940241 [1,1,0,0,0,0|1,0,1]=4 2952 B6R0.4 O=C(Cl)CCCCl Amb6608638 [1,1,0,0,0,0|1,0,1]=4 2953 B6R0.4 O=C(Cl)\C=C\CCl Amb33294776 [1,1,0,0,0,0|1,0,1]=4 2954 B6R0.4 O=C(O)C#CCCl Amb33544591 [1,1,0,0,0,0|0,0,2]=4 2955 B6R0.4 O=C(O)C#CCI Amb27860307 [1,1,0,0,0,0|0,0,2]=4 2956 B6R0.4 O=C(O)C#CCO Amb22002375 [1,1,0,0,0,0|0,0,2]=4 2957 B6R0.4 O=C(O)CCCBr Amb8393276 [1,1,0,0,0,0|0,0,1]=3 2958 B6R0.4 O=C(O)CCCCl Amb3940333 [1,1,0,0,0,0|0,0,1]=3 2959 B6R0.4 O=C(O)CCCF Amb17593104 [1,1,0,0,0,0|0,0,1]=3 2960 B6R0.4 O=C(O)CCCI Amb22295911 [1,1,0,0,0,0|0,0,1]=3 2961 B6R0.4 O=C(O)CCCO Amb18640332 [1,1,0,0,0,0|0,0,1]=3 2962 B6R0.4 O=C(O)CCCS Amb16185429 [1,1,0,0,0,0|0,0,1]=3 2963 B6R0.4 O=C(O)CCNO Amb28067767 [1,1,0,0,0,0|0,0,2]=4 2964 B6R0.4 O=C(O)CCSCl Amb28387511 [1,1,0,0,0,0|0,1,1]=4 2965 B6R0.4 O=C(O)COCF Amb33378705 [1,1,0,0,0,0|1,0,0]=3 2966 B6R0.4 O=C(O)CPCO Amb28340565 [1,1,0,0,0,0|1,0,0]=3 2967 B6R0.4 O=C(O)CSSCl Amb27477882 [1,1,0,0,0,0|1,1,0]=4 2968 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,1,0,0,0,0|0,0,1]=3 2969 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,1,0,0,0,0|0,0,1]=3 2970 B6R0.4 O=C(O)\C=C\CBr Amb18646194 [1,1,0,0,0,0|0,0,1]=3 2971 B6R0.4 O=C(O)\C=C\CCl Amb23399655 [1,1,0,0,0,0|0,0,1]=3 2972 B6R0.4 O=C(O)\C=C\CF Amb33470171 [1,1,0,0,0,0|0,0,1]=3 2973 B6R0.4 O=C(O)\C=C\CO Amb32662006 [1,1,0,0,0,0|0,0,1]=3 2974 B6R0.4 O=C(S)NCCO Amb27430045 [1,1,0,0,0,0|1,0,1]=4 2975 B6R0.4 O=C([O-])CCCO Amb3429667 [1,1,0,0,0,0|0,0,2]=4 2976 B6R0.4 O=C([O-])CNCO Amb8383630 [1,1,0,0,0,0|1,0,1]=4 2977 B6R0.4 O=C([O-])\C=C\CO Amb33542275 [1,1,0,0,0,0|0,0,2]=4 2978 B6R0.4 O=CCCC(=O)O Amb17673897 [1,1,0,0,0,0|0,0,0]=2 2979 B6R0.4 O=CCCC(O)O Amb27838257 [1,1,0,0,0,0|0,0,2]=4 2980 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [1,1,0,0,0,0|1,0,1]=4 2981 B6R0.4 O=CNCC(=O)O Amb1911508 [1,1,0,0,0,0|0,0,0]=2 2982 B6R0.4 O=COCC(=O)O Amb26624011 [1,1,0,0,0,0|0,0,0]=2 2983 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [1,1,0,0,0,0|0,0,1]=3 2984 B6R0.4 O=S(O)COCO Amb27410575 [1,1,0,0,0,0|2,0,0]=4 2985 B6R0.4 O=[N+]([O-])C\C=N\O Amb27755728 [1,1,0,0,0,0|2,0,0]=4 2986 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,1,0,0,0,0|1,0,1]=4 2987 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,1,0,0,0,0|2,0,0]=4 2988 B6R0.5 C=CCP(=O)(O)O Amb24120618 [1,1,0,0,0,0|1,0,1]=4 2989 B6R0.5 C=CCS(=O)(=O)O Amb8479885 [1,1,0,0,0,0|1,0,1]=4 2990 B6R0.5 C=CCS(C)(=O)=O Amb17226556 [1,1,0,0,0,0|2,0,0]=4 2991 B6R0.5 CC(C)(C)CC=O Amb3939190 [1,1,0,0,0,0|1,0,1]=4 2992 B6R0.5 CC(C)(Cl)CC=O Amb28202278 [1,1,0,0,0,0|1,0,1]=4 2993 B6R0.5 CC(F)(F)CC=O Amb25970162 [1,1,0,0,0,0|1,0,1]=4 2994 B6R0.5 CCCP(=O)(O)O Amb22230045 [1,1,0,0,0,0|1,0,1]=4 2995 B6R0.5 CNCP(=O)(O)O Amb589043 [1,1,0,0,0,0|2,0,0]=4 2996 B6R0.5 CNCP(C)(=O)O Amb4300777 [1,1,0,0,0,0|2,0,0]=4 2997 B6R0.5 CS(=N)(=O)CCO Amb33457507 [1,1,0,0,0,0|1,0,1]=4 2998 B6R0.5 CS(=O)(=O)CCO Amb3939193 [1,1,0,0,0,0|1,0,1]=4 2999 B6R0.5 CS(C)(=O)=CC=O Amb27864130 [1,1,0,0,0,0|1,0,1]=4 3000 B6R0.5 C[N+](C)(C)CC=O Amb10069442 [1,1,0,0,0,0|2,0,0]=4 3001 B6R0.5 C[N+](C)(C)CC=O Amb22735153 [1,1,0,0,0,0|2,0,0]=4 3002 B6R0.5 C[N+](C)(N)CC=O Amb27614280 [1,1,0,0,0,0|2,0,0]=4 3003 B6R0.5 C[S@](=N)(=O)CCO Amb33744008 [1,1,0,0,0,0|1,0,1]=4 3004 B6R0.5 C[Si](C)(C)CC=O Amb27875820 [1,1,0,0,0,0|1,1,0]=4 3005 B6R0.5 O=CCP(=O)(Cl)Cl Amb28388609 [1,1,0,0,0,0|2,0,0]=4 3006 B6R0.5 O=CCP(=O)(O)O Amb27187159 [1,1,0,0,0,0|1,0,0]=3 3007 B6R0.5 O=CCS(=O)(=O)O Amb17593267 [1,1,0,0,0,0|1,0,0]=3 3008 B6R0.7 CC(=O)C(C)(C)O Amb4037279 [0,1,0,0,1,0|1,0,1]=4 3009 B6R0.7 CC(=O)P(=O)(O)O Amb25229259 [0,1,0,0,1,0|1,0,0]=3 3010 B6R0.7 CC(Br)(Br)C(=O)O Amb26856468 [0,1,0,0,1,0|1,0,1]=4 3011 B6R0.7 CC(C)(Br)C(=O)O Amb8389348 [0,1,0,0,1,0|1,0,1]=4 3012 B6R0.7 CC(C)(C)C(=O)O Amb3939854 [0,1,0,0,1,0|1,0,1]=4 3013 B6R0.7 CC(C)(Cl)C(=O)O Amb8390677 [0,1,0,0,1,0|1,0,1]=4 3014 B6R0.7 CC(C)(F)C(=O)O Amb2688137 [0,1,0,0,1,0|1,0,1]=4 3015 B6R0.7 CC(C)(N)C(=O)O Amb6392202 [0,1,0,0,1,0|1,0,1]=4 3016 B6R0.7 CC(C)(O)C(=O)O Amb1159101 [0,1,0,0,1,0|0,0,2]=4 3017 B6R0.7 CC(C)(S)C(=O)O Amb17501520 [0,1,0,0,1,0|0,1,1]=4 3018 B6R0.7 CC(Cl)(Cl)C(=O)O Amb2720940 [0,1,0,0,1,0|1,0,1]=4 3019 B6R0.7 CC(F)(Br)C(=O)O Amb19895446 [0,1,0,0,1,0|1,0,1]=4 3020 B6R0.7 CC(F)(Cl)C(=O)O Amb22011870 [0,1,0,0,1,0|1,0,1]=4 3021 B6R0.7 CC(F)(F)C(=O)O Amb2687267 [0,1,0,0,1,0|1,0,1]=4 3022 B6R0.7 CC(N)(S)C(=O)O Amb27202694 [0,1,0,0,1,0|0,1,1]=4 3023 B6R0.7 CC(O)(Cl)C(=O)O Amb27877877 [0,1,0,0,1,0|0,0,2]=4 3024 B6R0.7 CC(O)(O)C(=O)O Amb25337924 [0,1,0,0,1,0|0,0,2]=4 3025 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,1,0,0,0,1|1,0,1]=4 3026 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [0,1,0,0,0,1|1,0,1]=4 3027 B8R0.9 C#CC(=C)CCC(C)=O Amb27179805 [0,1,0,0,0,1|2,0,0]=4 3028 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,1,0,0,0,1|0,0,1]=3 3029 B8R0.9 C#CC(C)NCC(=O)O Amb27207997 [0,1,0,0,0,1|1,0,1]=4 3030 B8R0.9 C#CC(C)SCC(=O)O Amb27168265 [0,1,0,0,0,1|1,0,1]=4 3031 B8R0.9 C=C(Br)CNC(=O)CBr Amb23570568 [0,1,0,0,0,1|2,0,0]=4 3032 B8R0.9 C=C(Br)CNC(=O)CC Amb27424062 [0,1,0,0,0,1|2,0,0]=4 3033 B8R0.9 C=C(Br)CNC(=O)CN Amb23570566 [0,1,0,0,0,1|2,0,0]=4 3034 B8R0.9 C=C(Br)CNC(=O)CS Amb27867130 [0,1,0,0,0,1|2,0,0]=4 3035 B8R0.9 C=C(Br)COC(=O)CO Amb27837568 [0,1,0,0,0,1|1,0,1]=4 3036 B8R0.9 C=C(C)CCC(=O)CN Amb27809573 [0,1,0,0,0,1|2,0,0]=4 3037 B8R0.9 C=C(C)CNC(=O)CCl Amb25178055 [0,1,0,0,0,1|2,0,0]=4 3038 B8R0.9 C=C(C)CNC(=O)CN Amb27215165 [0,1,0,0,0,1|2,0,0]=4 3039 B8R0.9 C=C(C)CNC(=O)CO Amb27866006 [0,1,0,0,0,1|1,0,0]=3 3040 B8R0.9 C=C(C)CNC(=O)CS Amb28040754 [0,1,0,0,0,1|1,1,0]=4 3041 B8R0.9 C=C(C)CNC(=O)OC Amb27473324 [0,1,0,0,0,1|1,0,0]=3 3042 B8R0.9 C=C(C)COC(=O)CC Amb25345772 [0,1,0,0,0,1|2,0,0]=4 3043 B8R0.9 C=C(C)COC(=O)CO Amb28280952 [0,1,0,0,0,1|1,0,0]=3 3044 B8R0.9 C=C(C)C\C=C(\C)CO Amb28049241 [0,1,0,0,0,1|2,0,0]=4 3045 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,1,0,0,0,1|0,0,1]=3 3046 B8R0.9 C=C(CC)CNC(C)=O Amb27985317 [0,1,0,0,0,1|2,0,0]=4 3047 B8R0.9 C=C(CC)CNC(N)=O Amb28342560 [0,1,0,0,0,1|2,0,0]=4 3048 B8R0.9 C=C(CC)OCC(C)=O Amb27227543 [0,1,0,0,0,1|2,0,0]=4 3049 B8R0.9 C=C(CO)CC=C(C)C Amb27665270 [0,1,0,0,0,1|2,0,0]=4 3050 B8R0.9 C=C(CS)SCC(C)=O Amb27844241 [0,1,0,0,0,1|1,1,0]=4 3051 B8R0.9 C=C(Cl)CNC(=O)CO Amb27857427 [0,1,0,0,0,1|1,0,1]=4 3052 B8R0.9 C=C(F)COC(=O)CCl Amb27945573 [0,1,0,0,0,1|2,0,0]=4 3053 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,1,0,0,0,1|1,0,1]=4 3054 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,1,0,0,0,1|1,0,1]=4 3055 B8R0.9 C=CC(=O)CC=C(C)C Amb27838740 [0,1,0,0,0,1|2,0,0]=4 3056 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [0,1,0,0,0,1|1,0,0]=3 3057 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,1,0,0,0,1|0,0,1]=3 3058 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,1,0,0,0,1|0,0,1]=3 3059 B8R0.9 C=CC(=O)OCC(N)=O Amb27468552 [0,1,0,0,0,1|1,0,1]=4 3060 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,1,0,0,0,1|0,0,1]=3 3061 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [0,1,0,0,0,1|1,0,1]=4 3062 B8R0.9 C=CC(C)OCC(=O)O Amb18642764 [0,1,0,0,0,1|1,0,1]=4 3063 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,1,0,0,0,1|1,0,0]=3 3064 B8R0.9 CC(=N)SCC(=O)CCl Amb24113053 [0,1,0,0,0,1|2,0,0]=4 3065 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,1,0,0,0,1|1,0,0]=3 3066 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,1,0,0,0,1|0,0,0]=2 3067 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [0,1,0,0,0,1|1,0,1]=4 3068 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [0,1,0,0,0,1|1,0,1]=4 3069 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,1,0,0,0,1|1,0,1]=4 3070 B8R0.9 CC(=O)CCC(O)CF Amb28322193 [0,1,0,0,0,1|1,0,1]=4 3071 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [0,1,0,0,0,1|2,0,0]=4 3072 B8R0.9 CC(=O)CCN(C)N=O Amb28364300 [0,1,0,0,0,1|2,0,0]=4 3073 B8R0.9 CC(=O)CNC(=O)CCl Amb27880921 [0,1,0,0,0,1|1,0,0]=3 3074 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,1,0,0,0,1|1,0,0]=3 3075 B8R0.9 CC(=O)CNC(C)CO Amb27614242 [0,1,0,0,0,1|1,0,1]=4 3076 B8R0.9 CC(=O)COC(=O)CN Amb27168864 [0,1,0,0,0,1|1,0,0]=3 3077 B8R0.9 CC(=O)NCC(=O)CN Amb35789045 [0,1,0,0,0,1|1,0,0]=3 3078 B8R0.9 CC(=O)NCC(=O)CN Amb35789904 [0,1,0,0,0,1|1,0,0]=3 3079 B8R0.9 CC(=O)NCC(=O)CO Amb27494067 [0,1,0,0,0,1|0,0,0]=2 3080 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,1,0,0,0,1|1,0,0]=3 3081 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,1|0,0,0]=2 3082 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [0,1,0,0,0,1|1,0,1]=4 3083 B8R0.9 CC(=O)NCC(C)ON Amb17138377 [0,1,0,0,0,1|1,0,1]=4 3084 B8R0.9 CC(=O)NCC(N)NO Amb27413098 [0,1,0,0,0,1|1,0,1]=4 3085 B8R0.9 CC(=O)NCN(C)N=O Amb27154794 [0,1,0,0,0,1|2,0,0]=4 3086 B8R0.9 CC(=O)NC[C@@H](O)CO Amb27156658 [0,1,0,0,0,1|0,0,2]=4 3087 B8R0.9 CC(=O)NC[C@H](O)CCl Amb25760218 [0,1,0,0,0,1|1,0,1]=4 3088 B8R0.9 CC(=O)NC\C(N)=N/O Amb19650814 [0,1,0,0,0,1|1,0,0]=3 3089 B8R0.9 CC(=O)NC\C(N)=N\O Amb21912454 [0,1,0,0,0,1|1,0,0]=3 3090 B8R0.9 CC(=O)NNC(=O)CBr Amb19957358 [0,1,0,0,0,1|2,0,0]=4 3091 B8R0.9 CC(=O)NNC(=O)CCl Amb1154170 [0,1,0,0,0,1|2,0,0]=4 3092 B8R0.9 CC(=O)NNC(=O)CN Amb17334122 [0,1,0,0,0,1|2,0,0]=4 3093 B8R0.9 CC(=O)N\C=C(\C)C=O Amb18642508 [0,1,0,0,0,1|1,0,1]=4 3094 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,1,0,0,0,1|1,0,0]=3 3095 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,1,0,0,0,1|1,0,0]=3 3096 B8R0.9 CC(=O)OCC(=O)CO Amb28253910 [0,1,0,0,0,1|0,0,0]=2 3097 B8R0.9 CC(=O)OCC(=O)NN Amb27480937 [0,1,0,0,0,1|1,0,0]=3 3098 B8R0.9 CC(=O)OCC(F)CO Amb27443281 [0,1,0,0,0,1|1,0,1]=4 3099 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [0,1,0,0,0,1|1,0,1]=4 3100 B8R0.9 CC(=O)OCC(O)CCl Amb17593815 [0,1,0,0,0,1|1,0,1]=4 3101 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [0,1,0,0,0,1|0,0,2]=4 3102 B8R0.9 CC(=O)OCN(C)C=O Amb28285201 [0,1,0,0,0,1|2,0,0]=4 3103 B8R0.9 CC(=O)OC[C@@H](O)CCl Amb27469927 [0,1,0,0,0,1|1,0,1]=4 3104 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [0,1,0,0,0,1|1,0,1]=4 3105 B8R0.9 CC(=O)OC\C(C)=C/Cl Amb27793522 [0,1,0,0,0,1|2,0,0]=4 3106 B8R0.9 CC(=O)OC\C(C)=C\Br Amb27803059 [0,1,0,0,0,1|2,0,0]=4 3107 B8R0.9 CC(=O)OC\C(Cl)=C/Cl Amb27768652 [0,1,0,0,0,1|2,0,0]=4 3108 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [0,1,0,0,0,1|1,0,1]=4 3109 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [0,1,0,0,0,1|1,0,1]=4 3110 B8R0.9 CC(=O)SC[C@H](O)CO Amb27261704 [0,1,0,0,0,1|0,0,2]=4 3111 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [0,1,0,0,0,1|0,0,2]=4 3112 B8R0.9 CC(C#N)NCC(=O)O Amb18293465 [0,1,0,0,0,1|1,0,1]=4 3113 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,1,0,0,0,1|1,0,1]=4 3114 B8R0.9 CC(C)CCC(=O)NO Amb6744847 [0,1,0,0,0,1|1,0,1]=4 3115 B8R0.9 CC(C)CNC(=O)CO Amb9421416 [0,1,0,0,0,1|1,0,1]=4 3116 B8R0.9 CC(C)COC(=O)CO Amb27218940 [0,1,0,0,0,1|1,0,1]=4 3117 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [0,1,0,0,0,1|0,0,2]=4 3118 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [0,1,0,0,0,1|1,0,1]=4 3119 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [0,1,0,0,0,1|1,0,1]=4 3120 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [0,1,0,0,0,1|1,0,1]=4 3121 B8R0.9 CC(CN)OCC(=O)O Amb18629591 [0,1,0,0,0,1|1,0,1]=4 3122 B8R0.9 CC(CN)SCC(=O)O Amb28142553 [0,1,0,0,0,1|1,0,1]=4 3123 B8R0.9 CC(N)CCC(=O)NO Amb27606094 [0,1,0,0,0,1|1,0,1]=4 3124 B8R0.9 CC(O)CNC(=O)CCl Amb17324265 [0,1,0,0,0,1|1,0,1]=4 3125 B8R0.9 CC(O)COC(=O)CBr Amb25253067 [0,1,0,0,0,1|1,0,1]=4 3126 B8R0.9 CC(\C=C\C(=O)O)=C/Br Amb27650571 [0,1,0,0,0,1|1,0,1]=4 3127 B8R0.9 CCC(=N)NCC(N)=O Amb28049684 [0,1,0,0,0,1|2,0,0]=4 3128 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,1,0,0,0,1|1,0,0]=3 3129 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,1|0,0,0]=2 3130 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,1,0,0,0,1|1,0,0]=3 3131 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,1,0,0,0,1|1,0,0]=3 3132 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,1,0,0,0,1|1,0,0]=3 3133 B8R0.9 CCC(=O)C\C=C(/C)Cl Amb27838754 [0,1,0,0,0,1|2,0,0]=4 3134 B8R0.9 CCC(=O)NCB(O)O Amb8392098 [0,1,0,0,0,1|1,0,1]=4 3135 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,1|0,0,0]=2 3136 B8R0.9 CCC(=O)NCC(C)O Amb9275499 [0,1,0,0,0,1|1,0,1]=4 3137 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,1,0,0,0,1|1,0,0]=3 3138 B8R0.9 CCC(=O)NCC(N)=S Amb17232011 [0,1,0,0,0,1|1,1,0]=4 3139 B8R0.9 CCC(=O)NNC(N)=O Amb27769108 [0,1,0,0,0,1|2,0,0]=4 3140 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,1,0,0,0,1|1,0,0]=3 3141 B8R0.9 CCC(=O)OCC(C)O Amb28184966 [0,1,0,0,0,1|1,0,1]=4 3142 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,1,0,0,0,1|1,0,0]=3 3143 B8R0.9 CCC(=O)OC[C@@H](C)O Amb28049124 [0,1,0,0,0,1|1,0,1]=4 3144 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,1,0,0,0,1|0,0,1]=3 3145 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,1,0,0,0,1|0,0,1]=3 3146 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,1,0,0,0,1|1,0,1]=4 3147 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,1,0,0,0,1|1,0,1]=4 3148 B8R0.9 CCC(C)NCC(=O)O Amb7766416 [0,1,0,0,0,1|1,0,1]=4 3149 B8R0.9 CCC(C)NCC(=O)O Amb9184562 [0,1,0,0,0,1|1,0,1]=4 3150 B8R0.9 CCC(C)OCC(=O)O Amb18307944 [0,1,0,0,0,1|1,0,1]=4 3151 B8R0.9 CCC(C)SCC(=O)O Amb6680193 [0,1,0,0,0,1|1,0,1]=4 3152 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,1,0,0,0,1|1,0,1]=4 3153 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,1,0,0,0,1|1,0,1]=4 3154 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,1,0,0,0,1|1,0,1]=4 3155 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,1,0,0,0,1|0,0,2]=4 3156 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,1,0,0,0,1|0,1,1]=4 3157 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,1,0,0,0,1|2,0,0]=4 3158 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,1,0,0,0,1|2,0,0]=4 3159 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,1,0,0,0,1|1,0,0]=3 3160 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,1,0,0,0,1|1,0,0]=3 3161 B8R0.9 CCS(=O)NCC(N)=O Amb27433455 [0,1,0,0,0,1|2,0,0]=4 3162 B8R0.9 CCS(=O)\C=C\C(=O)O Amb28347741 [0,1,0,0,0,1|1,0,1]=4 3163 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,1,0,0,0,1|1,0,1]=4 3164 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,1,0,0,0,1|0,0,2]=4 3165 B8R0.9 CC[C@H](O)CNC(C)=O Amb27762160 [0,1,0,0,0,1|1,0,1]=4 3166 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,1,0,0,0,1|1,0,0]=3 3167 B8R0.9 CN(C#N)CCC(=O)O Amb35634504 [0,1,0,0,0,1|2,0,0]=4 3168 B8R0.9 CN(C)CCC(=O)NO Amb27762089 [0,1,0,0,0,1|2,0,0]=4 3169 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [0,1,0,0,0,1|1,0,0]=3 3170 B8R0.9 CN(CCC(N)=O)N=O Amb27487572 [0,1,0,0,0,1|2,0,0]=4 3171 B8R0.9 CNC(=N)NCC(N)=O Amb27865962 [0,1,0,0,0,1|2,0,0]=4 3172 B8R0.9 CNC(=N)SCC(C)=O Amb27461473 [0,1,0,0,0,1|2,0,0]=4 3173 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,1,0,0,0,1|0,0,0]=2 3174 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [0,1,0,0,0,1|1,0,0]=3 3175 B8R0.9 CNC(=O)CCC(C)O Amb17334125 [0,1,0,0,0,1|1,0,1]=4 3176 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [0,1,0,0,0,1|1,0,0]=3 3177 B8R0.9 CNC(=O)CC[C@H](C)O Amb27799232 [0,1,0,0,0,1|1,0,1]=4 3178 B8R0.9 CNC(=O)CNC(C)=N Amb28043406 [0,1,0,0,0,1|2,0,0]=4 3179 B8R0.9 CNC(=O)CNC(C)=O Amb4034777 [0,1,0,0,0,1|1,0,0]=3 3180 B8R0.9 CNC(=O)COC(C)=O Amb26872495 [0,1,0,0,0,1|1,0,0]=3 3181 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,1|0,0,0]=2 3182 B8R0.9 CNC(=O)NCC(C)O Amb28326263 [0,1,0,0,0,1|1,0,1]=4 3183 B8R0.9 CNC(=O)NCC(N)=S Amb27657337 [0,1,0,0,0,1|1,1,0]=4 3184 B8R0.9 CNC(=O)NNC(C)=O Amb26580329 [0,1,0,0,0,1|2,0,0]=4 3185 B8R0.9 CNC(=O)NNC(N)=O Amb27784787 [0,1,0,0,0,1|2,0,0]=4 3186 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,1,0,0,0,1|0,0,0]=2 3187 B8R0.9 CNC(=O)ONC(C)=O Amb27786025 [0,1,0,0,0,1|2,0,0]=4 3188 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,1,0,0,0,1|0,0,1]=3 3189 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,1,0,0,0,1|0,0,1]=3 3190 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,1,0,0,0,1|0,1,0]=3 3191 B8R0.9 COC(=O)C=C=C(C)C Amb32423562 [0,1,0,0,0,1|1,0,1]=4 3192 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,1,0,0,0,1|1,0,1]=4 3193 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,1,0,0,0,1|1,0,0]=3 3194 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,1|0,0,0]=2 3195 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,1,0,0,0,1|0,0,0]=2 3196 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,1,0,0,0,1|1,0,1]=4 3197 B8R0.9 COC(=O)CCC(C)C Amb9241809 [0,1,0,0,0,1|1,0,1]=4 3198 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,1,0,0,0,1|1,0,1]=4 3199 B8R0.9 COC(=O)CCC(C)I Amb27445524 [0,1,0,0,0,1|1,0,1]=4 3200 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,1,0,0,0,1|1,0,1]=4 3201 B8R0.9 COC(=O)CCC(C)N Amb35750839 [0,1,0,0,0,1|1,0,1]=4 3202 B8R0.9 COC(=O)CCC(C)O Amb26459430 [0,1,0,0,0,1|0,0,2]=4 3203 B8R0.9 COC(=O)CCC(C)S Amb28066829 [0,1,0,0,0,1|0,1,1]=4 3204 B8R0.9 COC(=O)CCC(C)[O-] Amb30988005 [0,1,0,0,0,1|0,0,2]=4 3205 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,1|1,0,0]=3 3206 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,1,0,0,0,1|1,1,0]=4 3207 B8R0.9 COC(=O)CCN(C)C Amb7757843 [0,1,0,0,0,1|2,0,0]=4 3208 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [0,1,0,0,0,1|2,0,0]=4 3209 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,1,0,0,0,1|1,0,0]=3 3210 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [0,1,0,0,0,1|1,0,1]=4 3211 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [0,1,0,0,0,1|2,0,0]=4 3212 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,1,0,0,0,1|1,0,1]=4 3213 B8R0.9 COC(=O)CC[C@H](C)N Amb27950697 [0,1,0,0,0,1|1,0,1]=4 3214 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [0,1,0,0,0,1|1,0,1]=4 3215 B8R0.9 COC(=O)CNC(=N)N Amb27259956 [0,1,0,0,0,1|2,0,0]=4 3216 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,1,0,0,0,1|0,0,0]=2 3217 B8R0.9 COC(=O)CNC(C)C Amb6687063 [0,1,0,0,0,1|1,0,1]=4 3218 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,1,0,0,0,1|1,0,0]=3 3219 B8R0.9 COC(=O)CNC(N)=S Amb9212124 [0,1,0,0,0,1|1,1,0]=4 3220 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,1,0,0,0,1|0,0,0]=2 3221 B8R0.9 COC(=O)COC(C)C Amb9206385 [0,1,0,0,0,1|1,0,1]=4 3222 B8R0.9 COC(=O)CSC(=N)N Amb20676059 [0,1,0,0,0,1|2,0,0]=4 3223 B8R0.9 COC(=O)CSC(C)C Amb28049081 [0,1,0,0,0,1|1,0,1]=4 3224 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,1,0,0,0,1|1,0,0]=3 3225 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,1,0,0,0,1|0,0,0]=2 3226 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,1,0,0,0,1|0,0,0]=2 3227 B8R0.9 COC(=O)NCC(C)Cl Amb27401852 [0,1,0,0,0,1|1,0,1]=4 3228 B8R0.9 COC(=O)NCC(C)O Amb9285615 [0,1,0,0,0,1|0,0,2]=4 3229 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,1,0,0,0,1|1,0,0]=3 3230 B8R0.9 COC(=O)NC[C@@H](C)O Amb28204216 [0,1,0,0,0,1|0,0,2]=4 3231 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,1,0,0,0,1|2,0,0]=4 3232 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,1,0,0,0,1|1,0,0]=3 3233 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,1,0,0,0,1|0,0,0]=2 3234 B8R0.9 COC(=O)SCC(C)Cl Amb28386344 [0,1,0,0,0,1|1,0,1]=4 3235 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,1,0,0,0,1|0,0,1]=3 3236 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,1,0,0,0,1|1,0,1]=4 3237 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,1,0,0,0,1|0,0,1]=3 3238 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,1,0,0,0,1|0,0,1]=3 3239 B8R0.9 COC(=O)\C=C\S(C)=O Amb28049230 [0,1,0,0,0,1|1,0,1]=4 3240 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,1,0,0,0,1|0,1,0]=3 3241 B8R0.9 COC(=S)SCC(N)=O Amb28325528 [0,1,0,0,0,1|1,1,0]=4 3242 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,1,0,0,0,1|0,0,2]=4 3243 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,1,0,0,0,1|1,0,1]=4 3244 B8R0.9 COC(C)COC(C)=O Amb22734341 [0,1,0,0,0,1|1,0,1]=4 3245 B8R0.9 COC(C)OCC(C)=O Amb24378350 [0,1,0,0,0,1|1,0,1]=4 3246 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,1,0,0,0,1|1,0,1]=4 3247 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,1,0,0,0,1|0,0,2]=4 3248 B8R0.9 CO[C@@H](C)CNC(C)=O Amb35605355 [0,1,0,0,0,1|1,0,1]=4 3249 B8R0.9 CO[C@H](C)CNC(C)=O Amb30024558 [0,1,0,0,0,1|1,0,1]=4 3250 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,1,0,0,0,1|0,0,1]=3 3251 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,1,0,0,0,1|1,0,0]=3 3252 B8R0.9 CS(=O)CC\C(N)=N\O Amb27852254 [0,1,0,0,0,1|2,0,0]=4 3253 B8R0.9 CSC(=O)CCC(C)O Amb28065144 [0,1,0,0,0,1|1,0,1]=4 3254 B8R0.9 CSC(=O)\C=C/C(C)=O Amb27256793 [0,1,0,0,0,1|0,1,1]=4 3255 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,1,0,0,0,1|0,1,1]=4 3256 B8R0.9 C[C@@H](O)CNC(=O)CBr Amb28049185 [0,1,0,0,0,1|1,0,1]=4 3257 B8R0.9 C[C@@H](O)CNC(=O)CN Amb27495538 [0,1,0,0,0,1|1,0,1]=4 3258 B8R0.9 C[C@H](O)CNC(=O)CCl Amb28049186 [0,1,0,0,0,1|1,0,1]=4 3259 B8R0.9 C[C@H](O)CNC(=O)CN Amb27399091 [0,1,0,0,0,1|1,0,1]=4 3260 B8R0.9 C[C@H](O)CNC(=O)CO Amb27829811 [0,1,0,0,0,1|0,0,2]=4 3261 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,1,0,0,0,1|1,0,0]=3 3262 B8R0.9 C\C(C=O)=N/NC(N)=O Amb27769079 [0,1,0,0,0,1|2,0,0]=4 3263 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,1,0,0,0,1|0,0,1]=3 3264 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,1,0,0,0,1|1,0,1]=4 3265 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,1,0,0,0,1|1,0,1]=4 3266 B8R0.9 C\C=C(Cl)\C=C\C(=O)O Amb28137785 [0,1,0,0,0,1|1,0,1]=4 3267 B8R0.9 C\C=C(F)\C=C\C(=O)O Amb27826588 [0,1,0,0,0,1|1,0,1]=4 3268 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,1,0,0,0,1|2,0,0]=4 3269 B8R0.9 C\C=C(\C)OCC(C)=O Amb27844138 [0,1,0,0,0,1|2,0,0]=4 3270 B8R0.9 N=C(CCl)NCC(=O)O Amb28282661 [0,1,0,0,0,1|1,0,0]=3 3271 B8R0.9 N=C(CCl)NCC(N)=O Amb27483156 [0,1,0,0,0,1|2,0,0]=4 3272 B8R0.9 NC(=O)CNC(=O)C=O Amb27236949 [0,1,0,0,0,1|1,0,1]=4 3273 B8R0.9 NC(=O)NC\C(N)=N\O Amb27487653 [0,1,0,0,0,1|2,0,0]=4 3274 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,1|2,0,0]=4 3275 B8R0.9 NC(=O)NNC(=O)CS Amb27204540 [0,1,0,0,0,1|2,0,0]=4 3276 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [0,1,0,0,0,1|1,0,1]=4 3277 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [0,1,0,0,0,1|1,0,1]=4 3278 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [0,1,0,0,0,1|1,0,1]=4 3279 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [0,1,0,0,0,1|1,0,1]=4 3280 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [0,1,0,0,0,1|1,0,1]=4 3281 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [0,1,0,0,0,1|1,0,1]=4 3282 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,1,0,0,0,1|0,0,0]=2 3283 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,1,0,0,0,1|0,0,0]=2 3284 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,1|0,0,0]=2 3285 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,1,0,0,0,1|0,0,0]=2 3286 B8R0.9 NCC(=O)NNC(N)=O Amb28340955 [0,1,0,0,0,1|2,0,0]=4 3287 B8R0.9 NCC(=O)OCC(N)=O Amb27829178 [0,1,0,0,0,1|1,0,0]=3 3288 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [0,1,0,0,0,1|1,0,1]=4 3289 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [0,1,0,0,0,1|1,0,1]=4 3290 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [0,1,0,0,0,1|0,0,2]=4 3291 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [0,1,0,0,0,1|0,0,2]=4 3292 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [0,1,0,0,0,1|1,0,1]=4 3293 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [0,1,0,0,0,1|2,0,0]=4 3294 B8R0.9 NNC(=O)CNC(N)=O Amb24477825 [0,1,0,0,0,1|2,0,0]=4 3295 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,1,0,0,0,1|1,0,0]=3 3296 B8R0.9 NNC(=O)NCC(N)=O Amb8854040 [0,1,0,0,0,1|2,0,0]=4 3297 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [0,1,0,0,0,1|1,0,1]=4 3298 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [0,1,0,0,0,1|1,0,1]=4 3299 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [0,1,0,0,0,1|1,0,1]=4 3300 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [0,1,0,0,0,1|1,0,1]=4 3301 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,1|0,0,0]=2 3302 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [0,1,0,0,0,1|0,0,2]=4 3303 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [0,1,0,0,0,1|0,1,1]=4 3304 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,1,0,0,0,1|1,0,1]=4 3305 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,1|0,0,0]=2 3306 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,1,0,0,0,1|0,0,0]=2 3307 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,1,0,0,0,1|0,0,0]=2 3308 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,1,0,0,0,1|0,0,0]=2 3309 B8R0.9 O=C(O)CS\C(Cl)=C\Cl Amb27858758 [0,1,0,0,0,1|1,0,1]=4 3310 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,1,0,0,0,1|1,0,1]=4 3311 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,1,0,0,0,1|0,0,1]=3 3312 B8R0.9 O=NN(O)CCC(=O)O Amb27495384 [0,1,0,0,0,1|2,0,0]=4 3313 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,1|1,0,0]=3 3314 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [0,1,0,0,0,1|1,0,1]=4 3315 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [0,1,0,0,0,1|1,0,1]=4 3316 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [0,1,0,0,0,1|1,0,1]=4 3317 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,1,0,0,0,1|1,0,1]=4 3318 B8R0.23 C=C(C)C(=C)CC(C)=O Amb28324025 [0,1,0,0,0,1|2,0,0]=4 3319 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,1,0,0,0,1|1,0,0]=3 3320 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,1,0,0,0,1|2,0,0]=4 3321 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,1,0,0,0,1|1,0,0]=3 3322 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,1|2,0,0]=4 3323 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,1,0,0,0,1|1,0,0]=3 3324 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,1,0,0,0,1|2,0,0]=4 3325 B8R0.23 C=C(C)CC(=C)C(C)=O Amb27215898 [0,1,0,0,0,1|2,0,0]=4 3326 B8R0.23 C=C(C)CC(=O)C(=O)O Amb28073130 [0,1,0,0,0,1|1,0,0]=3 3327 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,1,0,0,0,1|1,0,0]=3 3328 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,1,0,0,0,1|2,0,0]=4 3329 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,1,0,0,0,1|2,0,0]=4 3330 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [0,1,0,0,0,1|1,0,0]=3 3331 B8R0.23 C=C(C)CC(N)C(N)=O Amb26326676 [0,1,0,0,0,1|2,0,0]=4 3332 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [0,1,0,0,0,1|1,0,0]=3 3333 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,1,0,0,0,1|1,0,0]=3 3334 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [0,1,0,0,0,1|1,0,0]=3 3335 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,1,0,0,0,1|1,0,0]=3 3336 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [0,1,0,0,0,1|1,0,0]=3 3337 B8R0.23 C=C(C)OC(C)C(C)=O Amb27838756 [0,1,0,0,0,1|2,0,0]=4 3338 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,1,0,0,0,1|1,0,0]=3 3339 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,1,0,0,0,1|2,0,0]=4 3340 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,1,0,0,0,1|1,0,0]=3 3341 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,1,0,0,0,1|1,0,0]=3 3342 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,1,0,0,0,1|2,0,0]=4 3343 B8R0.23 C=C(C)\C(C)=C\C(=O)O Amb17593311 [0,1,0,0,0,1|1,0,1]=4 3344 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl Amb17938995 [0,1,0,0,0,1|2,0,0]=4 3345 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [0,1,0,0,0,1|1,0,0]=3 3346 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,1,0,0,0,1|0,0,0]=2 3347 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [0,1,0,0,0,1|1,0,0]=3 3348 B8R0.23 C=C(CC(C)C)C(=O)O Amb33542856 [0,1,0,0,0,1|1,0,1]=4 3349 B8R0.23 C=C(CN(C)C)C(=O)O Amb33544507 [0,1,0,0,0,1|2,0,0]=4 3350 B8R0.23 C=C(CN(C)O)C(=O)O Amb27640409 [0,1,0,0,0,1|1,0,1]=4 3351 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [0,1,0,0,0,1|1,0,1]=4 3352 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [0,1,0,0,0,1|1,0,1]=4 3353 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [0,1,0,0,0,1|1,0,1]=4 3354 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [0,1,0,0,0,1|1,0,1]=4 3355 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [0,1,0,0,0,1|1,0,1]=4 3356 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [0,1,0,0,0,1|1,0,1]=4 3357 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [0,1,0,0,0,1|1,0,1]=4 3358 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [0,1,0,0,0,1|1,0,1]=4 3359 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [0,1,0,0,0,1|1,0,1]=4 3360 B8R0.23 C=C(NC(C)=O)C(=O)O Amb8513049 [0,1,0,0,0,1|0,0,1]=3 3361 B8R0.23 C=C(NC(C)=O)C(N)=O Amb27984135 [0,1,0,0,0,1|1,0,1]=4 3362 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,1,0,0,0,1|1,0,1]=4 3363 B8R0.23 CC(=N)NC(C)C(N)=O Amb27412520 [0,1,0,0,0,1|2,0,0]=4 3364 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,1,0,0,0,1|0,0,0]=2 3365 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,1,0,0,0,1|0,0,0]=2 3366 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,1,0,0,0,1|0,0,0]=2 3367 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,1,0,0,0,1|1,0,0]=3 3368 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,1,0,0,0,1|1,0,0]=3 3369 B8R0.23 CC(=O)C(Cl)CC(C)O Amb27454439 [0,1,0,0,0,1|1,0,1]=4 3370 B8R0.23 CC(=O)C(Cl)C[N+](=O)[O-] Amb27954705 [0,1,0,0,0,1|1,0,1]=4 3371 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,1|0,0,0]=2 3372 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,1|1,0,0]=3 3373 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,1,0,0,0,1|0,0,0]=2 3374 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [0,1,0,0,0,1|0,0,0]=2 3375 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,1,0,0,0,1|1,0,0]=3 3376 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,1|0,0,0]=2 3377 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,1,0,0,0,1|1,0,0]=3 3378 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,1,0,0,0,1|1,0,1]=4 3379 B8R0.23 CC(=O)CC(Cl)=C(C)C Amb28351823 [0,1,0,0,0,1|2,0,0]=4 3380 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,1,0,0,0,1|0,0,0]=2 3381 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,1,0,0,0,1|0,0,0]=2 3382 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,1,0,0,0,1|1,0,0]=3 3383 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,1,0,0,0,1|0,0,0]=2 3384 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,1,0,0,0,1|1,0,0]=3 3385 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,1,0,0,0,1|0,0,0]=2 3386 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,1,0,0,0,1|0,0,0]=2 3387 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,1|0,0,0]=2 3388 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,1,0,0,0,1|1,0,0]=3 3389 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,1,0,0,0,1|0,0,0]=2 3390 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,1,0,0,0,1|0,0,0]=2 3391 B8R0.23 CC(=O)N(C)CB(O)O Amb8392106 [0,1,0,0,0,1|1,0,1]=4 3392 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,1,0,0,0,1|0,0,0]=2 3393 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,1,0,0,0,1|1,0,0]=3 3394 B8R0.23 CC(=O)N(C)CC(N)=S Amb17232013 [0,1,0,0,0,1|1,1,0]=4 3395 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,1,0,0,0,1|0,0,0]=2 3396 B8R0.23 CC(=O)NC(=O)C(C)=O Amb28245557 [0,1,0,0,0,1|1,0,1]=4 3397 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,1,0,0,0,1|1,0,0]=3 3398 B8R0.23 CC(=O)NC(C)B(O)O Amb25125858 [0,1,0,0,0,1|1,0,1]=4 3399 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,1,0,0,0,1|0,0,0]=2 3400 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,1,0,0,0,1|1,0,0]=3 3401 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,1,0,0,0,1|1,0,0]=3 3402 B8R0.23 CC(=O)N[C@@H](C)B(O)O Amb28397356 [0,1,0,0,0,1|1,0,1]=4 3403 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,1,0,0,0,1|0,0,0]=2 3404 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,1,0,0,0,1|1,0,0]=3 3405 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,1,0,0,0,1|0,0,0]=2 3406 B8R0.23 CC(=O)OC(=O)C(C)=O Amb26528827 [0,1,0,0,0,1|1,0,1]=4 3407 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,1,0,0,0,1|1,0,0]=3 3408 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,1,0,0,0,1|0,0,0]=2 3409 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,1,0,0,0,1|1,0,0]=3 3410 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,1,0,0,0,1|1,0,1]=4 3411 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,1,0,0,0,1|1,0,0]=3 3412 B8R0.23 CC(=O)ON(C)C(C)=O Amb4017292 [0,1,0,0,0,1|2,0,0]=4 3413 B8R0.23 CC(=O)ON(Cl)C(C)=O Amb27872417 [0,1,0,0,0,1|2,0,0]=4 3414 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,1,0,0,0,1|1,0,0]=3 3415 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,1,0,0,0,1|0,0,0]=2 3416 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,1,0,0,0,1|1,0,0]=3 3417 B8R0.23 CC(=O)O[C@@H](C)C(N)=S Amb28067714 [0,1,0,0,0,1|1,1,0]=4 3418 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,1,0,0,0,1|1,0,1]=4 3419 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,1,0,0,0,1|1,0,0]=3 3420 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,1,0,0,0,1|0,0,0]=2 3421 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,1,0,0,0,1|1,0,1]=4 3422 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,1,0,0,0,1|1,0,0]=3 3423 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,1,0,0,0,1|0,0,0]=2 3424 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,1,0,0,0,1|0,0,0]=2 3425 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,1,0,0,0,1|1,0,0]=3 3426 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,1,0,0,0,1|0,0,0]=2 3427 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,1,0,0,0,1|0,0,0]=2 3428 B8R0.23 CC(=O)\C(Br)=C\C(=O)O Amb27983634 [0,1,0,0,0,1|0,0,1]=3 3429 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,1,0,0,0,1|0,0,1]=3 3430 B8R0.23 CC(=O)\C=C(/C)C(=O)O Amb18642577 [0,1,0,0,0,1|0,0,1]=3 3431 B8R0.23 CC(=O)\C=C(/C)[PH](=O)O Amb27838812 [0,1,0,0,0,1|1,0,1]=4 3432 B8R0.23 CC(=O)\C=C(/N)C(=O)O Amb28206217 [0,1,0,0,0,1|0,0,1]=3 3433 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [0,1,0,0,0,1|0,0,1]=3 3434 B8R0.23 CC(=O)\C=C(\Br)C(=O)O Amb27419942 [0,1,0,0,0,1|0,0,1]=3 3435 B8R0.23 CC(=O)\C=C(\C)[PH](=O)O Amb28248338 [0,1,0,0,0,1|1,0,1]=4 3436 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [0,1,0,0,0,1|0,0,1]=3 3437 B8R0.23 CC(=O)\N=C(/C)C(C)=O Amb26476592 [0,1,0,0,0,1|1,0,1]=4 3438 B8R0.23 CC(=S)NC(C)C(=O)O Amb27876447 [0,1,0,0,0,1|0,1,0]=3 3439 B8R0.23 CC(Br)CC(=O)C(=O)O Amb28146183 [0,1,0,0,0,1|1,0,1]=4 3440 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [0,1,0,0,0,1|1,0,1]=4 3441 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,1,0,0,0,1|1,0,0]=3 3442 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [0,1,0,0,0,1|1,0,0]=3 3443 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [0,1,0,0,0,1|1,0,0]=3 3444 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [0,1,0,0,0,1|1,0,0]=3 3445 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,1,0,0,0,1|1,0,1]=4 3446 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,1,0,0,0,1|1,0,1]=4 3447 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,1,0,0,0,1|1,0,1]=4 3448 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,1,0,0,0,1|1,0,1]=4 3449 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,1,0,0,0,1|1,0,1]=4 3450 B8R0.23 CC(C)CC(=N)C(=O)O Amb27268516 [0,1,0,0,0,1|1,0,1]=4 3451 B8R0.23 CC(C)CC(=O)C(=O)O Amb8387123 [0,1,0,0,0,1|1,0,1]=4 3452 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [0,1,0,0,0,1|1,0,1]=4 3453 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [0,1,0,0,0,1|1,0,1]=4 3454 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [0,1,0,0,0,1|1,0,1]=4 3455 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [0,1,0,0,0,1|1,0,1]=4 3456 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [0,1,0,0,0,1|1,0,1]=4 3457 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [0,1,0,0,0,1|1,0,1]=4 3458 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [0,1,0,0,0,1|1,0,1]=4 3459 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [0,1,0,0,0,1|1,0,1]=4 3460 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [0,1,0,0,0,1|1,0,1]=4 3461 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [0,1,0,0,0,1|1,0,1]=4 3462 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [0,1,0,0,0,1|1,0,1]=4 3463 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [0,1,0,0,0,1|1,0,1]=4 3464 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [0,1,0,0,0,1|1,0,1]=4 3465 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [0,1,0,0,0,1|1,0,1]=4 3466 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [0,1,0,0,0,1|1,0,1]=4 3467 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [0,1,0,0,0,1|1,0,1]=4 3468 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [0,1,0,0,0,1|1,0,1]=4 3469 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [0,1,0,0,0,1|1,0,1]=4 3470 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [0,1,0,0,0,1|1,0,1]=4 3471 B8R0.23 CC(C)N(C)CC(=O)O Amb10609863 [0,1,0,0,0,1|1,0,1]=4 3472 B8R0.23 CC(C)N(C)CC(=O)O Amb6639901 [0,1,0,0,0,1|1,0,1]=4 3473 B8R0.23 CC(C)NC(C)C(=O)O Amb10199874 [0,1,0,0,0,1|1,0,1]=4 3474 B8R0.23 CC(C)NC(C)C(=O)O Amb1110769 [0,1,0,0,0,1|1,0,1]=4 3475 B8R0.23 CC(C)N[C@H](C)C(=O)O Amb26409390 [0,1,0,0,0,1|1,0,1]=4 3476 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [0,1,0,0,0,1|1,0,1]=4 3477 B8R0.23 CC(C)OC(F)C(=O)O Amb28045324 [0,1,0,0,0,1|1,0,1]=4 3478 B8R0.23 CC(C)SC(C)C(=O)O Amb6263656 [0,1,0,0,0,1|1,0,1]=4 3479 B8R0.23 CC(C)S[C@H](C)C(=O)O Amb27771567 [0,1,0,0,0,1|1,0,1]=4 3480 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,1,0,0,0,1|1,0,1]=4 3481 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,1,0,0,0,1|1,0,1]=4 3482 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,1,0,0,0,1|1,0,1]=4 3483 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,1,0,0,0,1|1,0,1]=4 3484 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,1,0,0,0,1|1,0,1]=4 3485 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,1,0,0,0,1|1,0,1]=4 3486 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,1,0,0,0,1|1,0,1]=4 3487 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,1|2,0,0]=4 3488 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,1|1,0,0]=3 3489 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,1,0,0,0,1|1,0,0]=3 3490 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,1,0,0,0,1|2,0,0]=4 3491 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,1,0,0,0,1|2,0,0]=4 3492 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,1,0,0,0,1|1,0,1]=4 3493 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,1|1,0,0]=3 3494 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,1,0,0,0,1|2,0,0]=4 3495 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [0,1,0,0,0,1|2,0,0]=4 3496 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [0,1,0,0,0,1|2,0,0]=4 3497 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [0,1,0,0,0,1|2,0,0]=4 3498 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,1|2,0,0]=4 3499 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,1,0,0,0,1|1,0,0]=3 3500 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,1,0,0,0,1|2,0,0]=4 3501 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,1|2,0,0]=4 3502 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [0,1,0,0,0,1|1,0,1]=4 3503 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,1,0,0,0,1|1,0,1]=4 3504 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [0,1,0,0,0,1|1,0,1]=4 3505 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [0,1,0,0,0,1|1,0,1]=4 3506 B8R0.23 CC(NC(=N)N)C(=O)O Amb22522920 [0,1,0,0,0,1|2,0,0]=4 3507 B8R0.23 CC(NC(=S)S)C(=O)O Amb25336384 [0,1,0,0,0,1|1,1,0]=4 3508 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [0,1,0,0,0,1|1,0,0]=3 3509 B8R0.23 CC(N[N+](=O)[O-])C(=O)O Amb27873513 [0,1,0,0,0,1|2,0,0]=4 3510 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,1,0,0,0,1|0,0,2]=4 3511 B8R0.23 CC(O)CC(=O)C(=O)O Amb25789747 [0,1,0,0,0,1|0,0,2]=4 3512 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [0,1,0,0,0,1|0,0,2]=4 3513 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [0,1,0,0,0,1|0,0,2]=4 3514 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [0,1,0,0,0,1|0,0,2]=4 3515 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,1,0,0,0,1|1,0,0]=3 3516 B8R0.23 CC(O[N+](=O)[O-])C(=O)O Amb27947983 [0,1,0,0,0,1|2,0,0]=4 3517 B8R0.23 CC(\N=C(/N)S)C(=O)O Amb22229340 [0,1,0,0,0,1|1,1,0]=4 3518 B8R0.23 CN(C)C(=O)CC(=O)O Amb17399822 [0,1,0,0,0,1|2,0,0]=4 3519 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [0,1,0,0,0,1|2,0,0]=4 3520 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [0,1,0,0,0,1|2,0,0]=4 3521 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [0,1,0,0,0,1|2,0,0]=4 3522 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [0,1,0,0,0,1|2,0,0]=4 3523 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [0,1,0,0,0,1|2,0,0]=4 3524 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [0,1,0,0,0,1|2,0,0]=4 3525 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [0,1,0,0,0,1|2,0,0]=4 3526 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [0,1,0,0,0,1|2,0,0]=4 3527 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,1,0,0,0,1|2,0,0]=4 3528 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,1,0,0,0,1|2,0,0]=4 3529 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,1,0,0,0,1|2,0,0]=4 3530 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,1,0,0,0,1|1,0,0]=3 3531 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,1,0,0,0,1|1,1,0]=4 3532 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,1,0,0,0,1|1,0,0]=3 3533 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,1,0,0,0,1|1,0,0]=3 3534 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,1,0,0,0,1|2,0,0]=4 3535 B8R0.23 CN(N)C(=O)CC(=O)O Amb25326354 [0,1,0,0,0,1|2,0,0]=4 3536 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [0,1,0,0,0,1|2,0,0]=4 3537 B8R0.23 CS(=O)CC(=O)C(=O)Cl Amb27861442 [0,1,0,0,0,1|2,0,0]=4 3538 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [0,1,0,0,0,1|1,0,0]=3 3539 B8R0.23 CS(=O)CC(N)C(N)=O Amb27608115 [0,1,0,0,0,1|2,0,0]=4 3540 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [0,1,0,0,0,1|1,0,0]=3 3541 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [0,1,0,0,0,1|1,0,0]=3 3542 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,1|1,0,0]=3 3543 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [0,1,0,0,0,1|1,0,1]=4 3544 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [0,1,0,0,0,1|1,0,0]=3 3545 B8R0.23 C[C@@H](NC(N)=O)C(N)=O Amb27394390 [0,1,0,0,0,1|2,0,0]=4 3546 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [0,1,0,0,0,1|0,0,2]=4 3547 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,1,0,0,0,1|0,0,2]=4 3548 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,1,0,0,0,1|1,0,0]=3 3549 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,1|1,0,0]=3 3550 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,1,0,0,0,1|1,0,0]=3 3551 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,1,0,0,0,1|1,0,0]=3 3552 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,1,0,0,0,1|1,0,1]=4 3553 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [0,1,0,0,0,1|1,0,1]=4 3554 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [0,1,0,0,0,1|1,0,1]=4 3555 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [0,1,0,0,0,1|1,0,1]=4 3556 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,1,0,0,0,1|1,0,1]=4 3557 B8R0.23 C[C@H](NC(=N)N)C(=O)O Amb24388432 [0,1,0,0,0,1|2,0,0]=4 3558 B8R0.23 C[C@H](NC(=O)Cl)C(=O)Cl Amb28292733 [0,1,0,0,0,1|2,0,0]=4 3559 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [0,1,0,0,0,1|1,0,0]=3 3560 B8R0.23 C[C@H](NS(C)=O)C(=O)O Amb27212723 [0,1,0,0,0,1|1,0,0]=3 3561 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,1,0,0,0,1|0,0,2]=4 3562 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [0,1,0,0,0,1|1,0,0]=3 3563 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [0,1,0,0,0,1|1,0,0]=3 3564 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [0,1,0,0,0,1|1,0,0]=3 3565 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [0,1,0,0,0,1|1,0,1]=4 3566 B8R0.23 C\C(=C/C(=O)O)C(N)=O Amb28350555 [0,1,0,0,0,1|1,0,1]=4 3567 B8R0.23 C\C(=C/C(N)=O)C(=O)O Amb28060883 [0,1,0,0,0,1|1,0,1]=4 3568 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [0,1,0,0,0,1|1,0,1]=4 3569 B8R0.23 C\C(Cl)=C/C(C)C(=O)O Amb28285105 [0,1,0,0,0,1|1,0,0]=3 3570 B8R0.23 C\C(Cl)=C/C(Cl)C(=O)O Amb28128482 [0,1,0,0,0,1|1,0,0]=3 3571 B8R0.23 C\C(N)=N/[C@H](C)C(N)=O Amb28049817 [0,1,0,0,0,1|2,0,0]=4 3572 B8R0.23 C\C(N)=[N+](\C)CC(=O)[O-] Amb25339595 [0,1,0,0,0,1|1,0,1]=4 3573 B8R0.23 NC(=O)C(=S)CC(O)=S Amb28323012 [0,1,0,0,0,1|1,1,0]=4 3574 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,1|1,0,0]=3 3575 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,1|1,0,0]=3 3576 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,1|1,0,0]=3 3577 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [0,1,0,0,0,1|1,0,1]=4 3578 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [0,1,0,0,0,1|1,0,0]=3 3579 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [0,1,0,0,0,1|1,0,0]=3 3580 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [0,1,0,0,0,1|1,0,0]=3 3581 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [0,1,0,0,0,1|1,0,0]=3 3582 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [0,1,0,0,0,1|2,0,0]=4 3583 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [0,1,0,0,0,1|1,0,0]=3 3584 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [0,1,0,0,0,1|2,0,0]=4 3585 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [0,1,0,0,0,1|1,0,0]=3 3586 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [0,1,0,0,0,1|1,0,0]=3 3587 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [0,1,0,0,0,1|1,0,0]=3 3588 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [0,1,0,0,0,1|1,0,0]=3 3589 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [0,1,0,0,0,1|2,0,0]=4 3590 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [0,1,0,0,0,1|1,0,0]=3 3591 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [0,1,0,0,0,1|2,0,0]=4 3592 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [0,1,0,0,0,1|1,0,0]=3 3593 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [0,1,0,0,0,1|1,0,0]=3 3594 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [0,1,0,0,0,1|1,0,0]=3 3595 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [0,1,0,0,0,1|2,0,0]=4 3596 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [0,1,0,0,0,1|1,0,0]=3 3597 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [0,1,0,0,0,1|1,0,0]=3 3598 B8R0.23 NC(=O)NC(=O)C(=O)O Amb18124345 [0,1,0,0,0,1|1,0,1]=4 3599 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [0,1,0,0,0,1|1,0,0]=3 3600 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [0,1,0,0,0,1|1,0,0]=3 3601 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,1|1,0,0]=3 3602 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,1|1,0,0]=3 3603 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,1|1,0,0]=3 3604 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,1|1,0,0]=3 3605 B8R0.23 NC(=O)\C(N)=C\C(=O)O Amb28046027 [0,1,0,0,0,1|1,0,1]=4 3606 B8R0.23 NC(=O)\C=C(/Cl)C(=O)O Amb27815058 [0,1,0,0,0,1|1,0,1]=4 3607 B8R0.23 NC(=O)\C=C(\F)C(=O)O Amb27447226 [0,1,0,0,0,1|1,0,1]=4 3608 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [0,1,0,0,0,1|1,1,0]=4 3609 B8R0.23 NC(C=C(Cl)Cl)C(=O)O Amb22350718 [0,1,0,0,0,1|2,0,0]=4 3610 B8R0.23 NC(C=S(=O)=O)C(=O)O Amb27231764 [0,1,0,0,0,1|2,0,0]=4 3611 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,1|1,0,0]=3 3612 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,1|1,0,0]=3 3613 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,1|1,0,0]=3 3614 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [0,1,0,0,0,1|2,0,0]=4 3615 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,1|1,0,0]=3 3616 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,1|1,0,0]=3 3617 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,1|1,0,0]=3 3618 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [0,1,0,0,0,1|1,0,0]=3 3619 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [0,1,0,0,0,1|1,0,0]=3 3620 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [0,1,0,0,0,1|1,0,1]=4 3621 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [0,1,0,0,0,1|2,0,0]=4 3622 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [0,1,0,0,0,1|2,0,0]=4 3623 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [0,1,0,0,0,1|2,0,0]=4 3624 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,1|1,0,0]=3 3625 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [0,1,0,0,0,1|2,0,0]=4 3626 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [0,1,0,0,0,1|2,0,0]=4 3627 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [0,1,0,0,0,1|2,0,0]=4 3628 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [0,1,0,0,0,1|1,0,0]=3 3629 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [0,1,0,0,0,1|1,0,0]=3 3630 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,1|1,0,0]=3 3631 B8R0.23 O=C(O)CC(Cl)=C(Cl)Cl Amb2227973 [0,1,0,0,0,1|2,0,0]=4 3632 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,1|1,0,0]=3 3633 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,1|1,0,0]=3 3634 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,1|1,0,0]=3 3635 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,1|1,0,0]=3 3636 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,1|1,0,0]=3 3637 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,1|1,0,0]=3 3638 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,1|1,0,0]=3 3639 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,1|1,0,0]=3 3640 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,1|1,0,0]=3 3641 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,1|1,0,0]=3 3642 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,1|1,0,0]=3 3643 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [0,1,0,0,0,1|1,0,1]=4 3644 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [0,1,0,0,0,1|1,0,1]=4 3645 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [0,1,0,0,0,1|1,0,1]=4 3646 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [0,1,0,0,0,1|1,0,1]=4 3647 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [0,1,0,0,0,1|1,0,1]=4 3648 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [0,1,0,0,0,1|1,0,1]=4 3649 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [0,1,0,0,0,1|1,0,1]=4 3650 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [0,1,0,0,0,1|1,0,1]=4 3651 B8R0.29 C=C(C)CCP(=O)(O)O Amb27163975 [0,1,0,0,0,1|2,0,0]=4 3652 B8R0.29 CC(=N)NCS(=O)(=O)O Amb27238670 [0,1,0,0,0,1|2,0,0]=4 3653 B8R0.29 CC(=O)CCC(C)(C)O Amb26961451 [0,1,0,0,0,1|1,0,1]=4 3654 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,1,0,0,0,1|1,0,1]=4 3655 B8R0.29 CC(=O)COP(C)(C)=O Amb27749793 [0,1,0,0,0,1|2,0,0]=4 3656 B8R0.29 CC(=O)COS(C)(=O)=O Amb24737069 [0,1,0,0,0,1|1,0,1]=4 3657 B8R0.29 CC(=O)CSS(=O)(=O)O Amb27256676 [0,1,0,0,0,1|1,0,0]=3 3658 B8R0.29 CC(=O)NCC(C)(C)O Amb25082896 [0,1,0,0,0,1|1,0,1]=4 3659 B8R0.29 CC(=O)NCC(O)(O)O Amb27817621 [0,1,0,0,0,1|0,0,2]=4 3660 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,1,0,0,0,1|1,0,0]=3 3661 B8R0.29 CC(=O)NC[Si](C)(C)O Amb27837682 [0,1,0,0,0,1|1,1,0]=4 3662 B8R0.29 CC(=O)SCC(C)(C)O Amb27397144 [0,1,0,0,0,1|1,0,1]=4 3663 B8R0.29 CC(C)(Br)CCC(=O)O Amb27402242 [0,1,0,0,0,1|1,0,1]=4 3664 B8R0.29 CC(C)(C)CCC(=O)O Amb8467936 [0,1,0,0,0,1|1,0,1]=4 3665 B8R0.29 CC(C)(C)NCC(=O)O Amb10610332 [0,1,0,0,0,1|1,0,1]=4 3666 B8R0.29 CC(C)(C)NCC(=O)O Amb7766549 [0,1,0,0,0,1|1,0,1]=4 3667 B8R0.29 CC(C)(C)OCC(=O)O Amb2691328 [0,1,0,0,0,1|1,0,1]=4 3668 B8R0.29 CC(C)(C)SCC(=O)O Amb433078 [0,1,0,0,0,1|1,0,1]=4 3669 B8R0.29 CC(C)(C)[NH2+]CC(=O)O Amb2695316 [0,1,0,0,0,1|1,0,1]=4 3670 B8R0.29 CC(C)(Cl)CCC(=O)O Amb18644451 [0,1,0,0,0,1|1,0,1]=4 3671 B8R0.29 CC(C)(F)CCC(=O)O Amb26316862 [0,1,0,0,0,1|1,0,1]=4 3672 B8R0.29 CC(C)(F)OCC(=O)O Amb33225288 [0,1,0,0,0,1|1,0,1]=4 3673 B8R0.29 CC(C)(N)CCC(=O)O Amb13951332 [0,1,0,0,0,1|1,0,1]=4 3674 B8R0.29 CC(C)(N)CCC(=O)O Amb6740013 [0,1,0,0,0,1|1,0,1]=4 3675 B8R0.29 CC(C)(S)CCC(=O)O Amb22489759 [0,1,0,0,0,1|0,1,1]=4 3676 B8R0.29 CC(F)(F)CCC(=O)O Amb6252611 [0,1,0,0,0,1|1,0,1]=4 3677 B8R0.29 CC(F)(F)OCC(=O)O Amb32809085 [0,1,0,0,0,1|1,0,1]=4 3678 B8R0.29 CP(=O)(O)CCC(=O)O Amb1792559 [0,1,0,0,0,1|1,0,0]=3 3679 B8R0.29 CP(=O)(O)OCC(=O)O Amb26578720 [0,1,0,0,0,1|1,0,0]=3 3680 B8R0.29 CS(=N)(=O)NCC(=O)O Amb35687837 [0,1,0,0,0,1|1,0,0]=3 3681 B8R0.29 CS(=N)(=O)NCC(N)=O Amb30019446 [0,1,0,0,0,1|2,0,0]=4 3682 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [0,1,0,0,0,1|1,0,0]=3 3683 B8R0.29 CS(=O)(=O)NCC(=O)Cl Amb5742077 [0,1,0,0,0,1|2,0,0]=4 3684 B8R0.29 CS(=O)(=O)NCC(=O)O Amb1120433 [0,1,0,0,0,1|1,0,0]=3 3685 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Amb7969413 [0,1,0,0,0,1|1,0,1]=4 3686 B8R0.29 CS(=O)(=O)NCC(N)=O Amb17232098 [0,1,0,0,0,1|2,0,0]=4 3687 B8R0.29 CS(=O)(=O)OCC(=O)O Amb25783884 [0,1,0,0,0,1|1,0,0]=3 3688 B8R0.29 CS(=O)(=O)OCC(N)=O Amb24601490 [0,1,0,0,0,1|2,0,0]=4 3689 B8R0.29 CS(=O)(=O)SCC(=O)O Amb17610576 [0,1,0,0,0,1|1,0,0]=3 3690 B8R0.29 CS(=O)(=O)\C=C\C(=O)O Amb23511152 [0,1,0,0,0,1|1,0,1]=4 3691 B8R0.29 CS(C)(=O)=NCC(=O)O Amb27159666 [0,1,0,0,0,1|1,0,0]=3 3692 B8R0.29 C[N+](C)(C)CCC(=O)O Amb24117222 [0,1,0,0,0,1|2,0,0]=4 3693 B8R0.29 C[N+](C)(C)CCC(=O)O Amb33803200 [0,1,0,0,0,1|2,0,0]=4 3694 B8R0.29 C[N+](C)(N)CCC(=O)O Amb27878681 [0,1,0,0,0,1|2,0,0]=4 3695 B8R0.29 NC(=O)COP(=O)(O)O Amb27760380 [0,1,0,0,0,1|2,0,0]=4 3696 B8R0.29 NC(=O)COP(=O)([O-])O Amb33483331 [0,1,0,0,0,1|2,0,0]=4 3697 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [0,1,0,0,0,1|2,0,0]=4 3698 B8R0.29 NS(=O)(=O)NCC(=O)O Amb6277125 [0,1,0,0,0,1|2,0,0]=4 3699 B8R0.29 O=C(O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,1|2,0,0]=4 3700 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,1|2,0,0]=4 3701 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [0,1,0,0,0,1|2,0,0]=4 3702 B8R0.29 O=C(O)COP(=O)(O)O Amb24442945 [0,1,0,0,0,1|2,0,0]=4 3703 B8R0.2 C#C[C@@H](C)[C@H](C)C(=O)O Amb27257738 [0,2,0,0,0,0|1,0,1]=4 3704 B8R0.2 C#C[C@H](C)[C@@H](O)C(=O)O Amb27777980 [0,2,0,0,0,0|1,0,1]=4 3705 B8R0.2 C=C(C)C(C)C(=O)CC Amb27838776 [0,2,0,0,0,0|2,0,0]=4 3706 B8R0.2 C=C(C)C(C)C(=O)CCl Amb28314266 [0,2,0,0,0,0|2,0,0]=4 3707 B8R0.2 C=C(C)C(Cl)C(=O)OC Amb27955894 [0,2,0,0,0,0|1,0,0]=3 3708 B8R0.2 C=C(C)C(N)C(=O)OC Amb25888625 [0,2,0,0,0,0|1,0,0]=3 3709 B8R0.2 C=C(C)[C@H](N)C(=O)OC Amb27883320 [0,2,0,0,0,0|1,0,0]=3 3710 B8R0.2 C=C(O)C(O)C(=O)CC Amb28051028 [0,2,0,0,0,0|1,0,0]=3 3711 B8R0.2 C=C(OC)C(=O)C(C)=O Amb27465203 [0,2,0,0,0,0|1,0,1]=4 3712 B8R0.2 C=C(OC)C(C)C(C)=O Amb27838705 [0,2,0,0,0,0|1,0,0]=3 3713 B8R0.2 C=C=C(C)C(O)C(=O)O Amb28284623 [0,2,0,0,0,0|1,0,0]=3 3714 B8R0.2 C=CC(=C)C(N)C(=O)O Amb28323133 [0,2,0,0,0,0|1,0,1]=4 3715 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [0,2,0,0,0,0|1,0,1]=4 3716 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [0,2,0,0,0,0|1,0,1]=4 3717 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [0,2,0,0,0,0|1,0,1]=4 3718 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [0,2,0,0,0,0|1,0,1]=4 3719 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [0,2,0,0,0,0|1,0,1]=4 3720 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [0,2,0,0,0,0|1,0,1]=4 3721 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [0,2,0,0,0,0|1,0,1]=4 3724 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.2 C=C\C(C)=C(/C)C(=O)O Amb28060126 [0,2,0,0,0,0|1,0,1]=4 3726 B8R0.2 C=C\C(C)=C(\C)C(=O)O Amb27947979 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.2 CC(=O)C(=O)C(=O)C=O Amb27211203 [0,2,0,0,0,0|0,0,2]=4 3728 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [0,2,0,0,0,0|1,0,1]=4 3729 B8R0.2 CC(=O)C(C)C(N)CO Amb27186035 [0,2,0,0,0,0|1,0,1]=4 3730 B8R0.2 CC(=O)C(C)N(C)C=O Amb28253854 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.2 CC(=O)C(C)N(C)N=O Amb27858970 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.2 CC(=O)C(C)\C(C)=N\O Amb27599356 [0,2,0,0,0,0|1,0,0]=3 3733 B8R0.2 CC(=O)C(F)C(=O)CF Amb27834300 [0,2,0,0,0,0|1,0,0]=3 3734 B8R0.2 CC(=O)C(O)C(O)CO Amb26636819 [0,2,0,0,0,0|0,0,2]=4 3735 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO Amb26654815 [0,2,0,0,0,0|0,0,2]=4 3736 B8R0.2 CC(=O)[C@H](O)C(=O)CO Amb25756996 [0,2,0,0,0,0|0,0,0]=2 3737 B8R0.2 CC(=O)[C@H](O)[C@@H](O)CO Amb28201025 [0,2,0,0,0,0|0,0,2]=4 3738 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [0,2,0,0,0,0|0,0,2]=4 3739 B8R0.2 CC(C#N)C(N)C(=O)O Amb33065998 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.2 CC(C#N)[C@@H](N)C(=O)O Amb33308709 [0,2,0,0,0,0|1,0,1]=4 3741 B8R0.2 CC(C#N)[C@H](N)C(=O)O Amb33308645 [0,2,0,0,0,0|1,0,1]=4 3742 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [0,2,0,0,0,0|1,0,0]=3 3744 B8R0.2 CC(C(N)=O)\C(N)=N\O Amb27788976 [0,2,0,0,0,0|2,0,0]=4 3745 B8R0.2 CC(C)=C(F)C(=O)NO Amb28071893 [0,2,0,0,0,0|1,0,1]=4 3746 B8R0.2 CC(C)C(Br)C(=O)NO Amb28137656 [0,2,0,0,0,0|1,0,1]=4 3747 B8R0.2 CC(C)C(N)C(=O)CO Amb27202150 [0,2,0,0,0,0|1,0,1]=4 3748 B8R0.2 CC(C)C(N)C(=O)NO Amb2439843 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.2 CC(C)C(N)C(=O)OBr Amb28137372 [0,2,0,0,0,0|1,0,1]=4 3750 B8R0.2 CC(CCl)C(N)C(=O)O Amb27470876 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.2 CC(CN)C(C)C(=O)O Amb27217450 [0,2,0,0,0,0|1,0,1]=4 3752 B8R0.2 CC(CN)C(F)C(=O)O Amb35750952 [0,2,0,0,0,0|1,0,1]=4 3753 B8R0.2 CC(CN)C(F)C(=O)O Amb35751592 [0,2,0,0,0,0|1,0,1]=4 3754 B8R0.2 CC(CN)C(O)C(=O)O Amb18642919 [0,2,0,0,0,0|1,0,1]=4 3755 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [0,2,0,0,0,0|0,0,2]=4 3756 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [0,2,0,0,0,0|0,0,2]=4 3757 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [0,2,0,0,0,0|0,0,2]=4 3758 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [0,2,0,0,0,0|0,0,2]=4 3759 B8R0.2 CC(CS)C(C)C(=O)O Amb17593702 [0,2,0,0,0,0|0,1,1]=4 3760 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [0,2,0,0,0,0|0,0,2]=4 3761 B8R0.2 CC(O)C(C)C(=O)CO Amb27948718 [0,2,0,0,0,0|0,0,2]=4 3762 B8R0.2 CC(O)C(O)C(=O)CO Amb27785801 [0,2,0,0,0,0|0,0,2]=4 3763 B8R0.2 CC(O)[C@H](O)C(=O)CO Amb27227013 [0,2,0,0,0,0|0,0,2]=4 3764 B8R0.2 CCC(=O)C(=O)C(=O)O Amb31097725 [0,2,0,0,0,0|0,0,1]=3 3765 B8R0.2 CCC(=O)C(=O)C(C)=O Amb17593337 [0,2,0,0,0,0|1,0,1]=4 3766 B8R0.2 CCC(=O)C(C)C(C)=O Amb17666954 [0,2,0,0,0,0|1,0,0]=3 3767 B8R0.2 CCC(=O)C(C)C(C)=S Amb27267087 [0,2,0,0,0,0|1,1,0]=4 3768 B8R0.2 CCC(=O)C(C)C(C)O Amb26509261 [0,2,0,0,0,0|1,0,1]=4 3769 B8R0.2 CCC(=O)[C@@H](C)[C@@H](C)O Amb27211930 [0,2,0,0,0,0|1,0,1]=4 3770 B8R0.2 CCC(=O)[C@@H](C)[C@H](C)O Amb27432902 [0,2,0,0,0,0|1,0,1]=4 3771 B8R0.2 CCC(=S)[C@H](N)C(=O)O Amb25111086 [0,2,0,0,0,0|0,1,0]=3 3772 B8R0.2 CCC(C)C(Br)C(=O)O Amb4015586 [0,2,0,0,0,0|1,0,1]=4 3773 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [0,2,0,0,0,0|1,0,1]=4 3774 B8R0.2 CCC(C)C(Cl)C(=O)O Amb17593752 [0,2,0,0,0,0|1,0,1]=4 3775 B8R0.2 CCC(C)C(N)C(=O)O Amb9702778 [0,2,0,0,0,0|1,0,1]=4 3776 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [0,2,0,0,0,0|1,0,1]=4 3777 B8R0.2 CCC(C)C(S)C(=O)O Amb27667077 [0,2,0,0,0,0|1,0,1]=4 3778 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [0,2,0,0,0,0|1,0,1]=4 3779 B8R0.2 CCC(C)[C@@H](N)C(=O)O Amb10844500 [0,2,0,0,0,0|1,0,1]=4 3780 B8R0.2 CCC(C)[C@H](Br)C(=O)O Amb28183049 [0,2,0,0,0,0|1,0,1]=4 3781 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [0,2,0,0,0,0|1,0,1]=4 3782 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Amb28314442 [0,2,0,0,0,0|1,0,1]=4 3783 B8R0.2 CCC(C)[C@H](N)C(=O)O Amb10844501 [0,2,0,0,0,0|1,0,1]=4 3784 B8R0.2 CCC(F)C(Br)C(=O)O Amb27858717 [0,2,0,0,0,0|1,0,1]=4 3785 B8R0.2 CCC(N)C(F)C(=O)O Amb33036406 [0,2,0,0,0,0|1,0,1]=4 3786 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [0,2,0,0,0,0|0,0,2]=4 3787 B8R0.2 CCC(O)C(C)C(C)=O Amb26336386 [0,2,0,0,0,0|1,0,1]=4 3788 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [0,2,0,0,0,0|0,0,2]=4 3789 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [0,2,0,0,0,0|0,0,2]=4 3790 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [0,2,0,0,0,0|0,0,2]=4 3791 B8R0.2 CCN(C)C(C)C(=O)O Amb8890967 [0,2,0,0,0,0|2,0,0]=4 3792 B8R0.2 CCN(C)[C@@H](C)C(=O)O Amb27228167 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.2 CCN(N)C(C)C(=O)O Amb27655613 [0,2,0,0,0,0|2,0,0]=4 3794 B8R0.2 CC[C@@H](C)C(Cl)C(=O)O Amb27472040 [0,2,0,0,0,0|1,0,1]=4 3795 B8R0.2 CC[C@@H](C)[C@@H](Cl)C(=O)O Amb28130604 [0,2,0,0,0,0|1,0,1]=4 3796 B8R0.2 CC[C@@H](C)[C@@H](F)C(=O)O Amb28347222 [0,2,0,0,0,0|1,0,1]=4 3797 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Amb8513329 [0,2,0,0,0,0|1,0,1]=4 3798 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [0,2,0,0,0,0|1,0,1]=4 3799 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O Amb26866576 [0,2,0,0,0,0|1,0,1]=4 3800 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Amb10068321 [0,2,0,0,0,0|1,0,1]=4 3801 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [0,2,0,0,0,0|0,0,2]=4 3802 B8R0.2 CC[C@@H](O)[C@@H](C)C(C)=O Amb26600956 [0,2,0,0,0,0|1,0,1]=4 3803 B8R0.2 CC[C@@H](O)[C@H](O)C(C)=O Amb27861441 [0,2,0,0,0,0|1,0,1]=4 3804 B8R0.2 CC[C@H](Br)[C@H](Br)C(=O)O Amb16233350 [0,2,0,0,0,0|1,0,1]=4 3805 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [0,2,0,0,0,0|1,0,1]=4 3806 B8R0.2 CC[C@H](C)C(N)C(=O)O Amb27209489 [0,2,0,0,0,0|1,0,1]=4 3807 B8R0.2 CC[C@H](C)[C@@H](Br)C(=O)O Amb23401386 [0,2,0,0,0,0|1,0,1]=4 3808 B8R0.2 CC[C@H](C)[C@@H](F)C(=O)O Amb27954743 [0,2,0,0,0,0|1,0,1]=4 3809 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Amb8516280 [0,2,0,0,0,0|1,0,1]=4 3810 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O Amb22388560 [0,2,0,0,0,0|1,0,1]=4 3811 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Amb3940753 [0,2,0,0,0,0|1,0,1]=4 3812 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [0,2,0,0,0,0|1,0,1]=4 3813 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [0,2,0,0,0,0|1,0,1]=4 3814 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [0,2,0,0,0,0|0,0,2]=4 3815 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [0,2,0,0,0,0|0,0,2]=4 3816 B8R0.2 CC[C@H](O)[C@H](C)C(C)=O Amb27590145 [0,2,0,0,0,0|1,0,1]=4 3817 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [0,2,0,0,0,0|0,0,2]=4 3818 B8R0.2 CC\C(C)=C(/C)C(=O)O Amb27424733 [0,2,0,0,0,0|1,0,1]=4 3819 B8R0.2 CC\C(O)=C(\C)C(=O)O Amb27253362 [0,2,0,0,0,0|0,0,2]=4 3820 B8R0.2 CNC(=O)C(C)C(=O)O Amb26367215 [0,2,0,0,0,0|0,0,0]=2 3821 B8R0.2 CNC(=O)C(C)C(N)=S Amb27247255 [0,2,0,0,0,0|1,1,0]=4 3822 B8R0.2 CNC(=O)C(Cl)C(C)=O Amb5717342 [0,2,0,0,0,0|1,0,0]=3 3823 B8R0.2 CNC(=O)C(N)C(C)O Amb24705029 [0,2,0,0,0,0|1,0,1]=4 3824 B8R0.2 CNC(=O)N(C)C(=O)Cl Amb27180192 [0,2,0,0,0,0|2,0,0]=4 3825 B8R0.2 CNC(=O)N(C)C(N)=O Amb28364983 [0,2,0,0,0,0|2,0,0]=4 3826 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O Amb24671233 [0,2,0,0,0,0|1,0,1]=4 3827 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O Amb30867960 [0,2,0,0,0,0|1,0,1]=4 3828 B8R0.2 CNC(=O)[C@@H](N)[C@H](C)O Amb27782895 [0,2,0,0,0,0|1,0,1]=4 3829 B8R0.2 CNC(=O)[C@H](N)[C@H](C)O Amb28421858 [0,2,0,0,0,0|1,0,1]=4 3830 B8R0.2 CNC(C)C(N)C(=O)O Amb18642890 [0,2,0,0,0,0|1,0,1]=4 3831 B8R0.2 COC(=O)C(=O)C(C)=O Amb17569865 [0,2,0,0,0,0|0,0,1]=3 3832 B8R0.2 COC(=O)C(=O)C(N)=O Amb27983893 [0,2,0,0,0,0|1,0,1]=4 3833 B8R0.2 COC(=O)C(=S)C(C)=O Amb27838708 [0,2,0,0,0,0|0,0,1]=3 3834 B8R0.2 COC(=O)C(Br)=C(C)C Amb17610027 [0,2,0,0,0,0|1,0,1]=4 3835 B8R0.2 COC(=O)C(Br)C(=O)Cl Amb27401113 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.2 COC(=O)C(Br)C(C)=O Amb22499701 [0,2,0,0,0,0|0,0,0]=2 3837 B8R0.2 COC(=O)C(Br)C(C)Br Amb495553 [0,2,0,0,0,0|1,0,1]=4 3838 B8R0.2 COC(=O)C(Br)C(C)C Amb6892152 [0,2,0,0,0,0|1,0,1]=4 3839 B8R0.2 COC(=O)C(C)C(=O)Cl Amb27636429 [0,2,0,0,0,0|1,0,0]=3 3840 B8R0.2 COC(=O)C(C)C(=O)O Amb33545071 [0,2,0,0,0,0|0,0,0]=2 3841 B8R0.2 COC(=O)C(C)C(C)=O Amb17939472 [0,2,0,0,0,0|0,0,0]=2 3842 B8R0.2 COC(=O)C(C)C(C)C Amb4044380 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.2 COC(=O)C(C)C(C)N Amb18642841 [0,2,0,0,0,0|1,0,1]=4 3844 B8R0.2 COC(=O)C(C)C(C)O Amb22059109 [0,2,0,0,0,0|0,0,2]=4 3845 B8R0.2 COC(=O)C(C)C(C)S Amb25682049 [0,2,0,0,0,0|0,1,1]=4 3846 B8R0.2 COC(=O)C(C)C(N)=O Amb27202877 [0,2,0,0,0,0|1,0,0]=3 3847 B8R0.2 COC(=O)C(C)C(N)=S Amb28428448 [0,2,0,0,0,0|1,1,0]=4 3848 B8R0.2 COC(=O)C(C)N(C)C Amb8455327 [0,2,0,0,0,0|2,0,0]=4 3849 B8R0.2 COC(=O)C(C)N(C)O Amb27620113 [0,2,0,0,0,0|1,0,1]=4 3850 B8R0.2 COC(=O)C(C)S(=O)Cl Amb24725099 [0,2,0,0,0,0|2,0,0]=4 3851 B8R0.2 COC(=O)C(C)S(=O)O Amb27858607 [0,2,0,0,0,0|1,0,0]=3 3852 B8R0.2 COC(=O)C(C)S(=O)[O-] Amb24626145 [0,2,0,0,0,0|1,0,1]=4 3853 B8R0.2 COC(=O)C(C)S(N)=O Amb32720331 [0,2,0,0,0,0|2,0,0]=4 3854 B8R0.2 COC(=O)C(C)[N+](=O)[O-] Amb25322922 [0,2,0,0,0,0|1,0,1]=4 3855 B8R0.2 COC(=O)C(Cl)C(=O)Cl Amb24373872 [0,2,0,0,0,0|1,0,0]=3 3856 B8R0.2 COC(=O)C(Cl)C(C)Cl Amb5720898 [0,2,0,0,0,0|1,0,1]=4 3857 B8R0.2 COC(=O)C(Cl)C(C)O Amb25269533 [0,2,0,0,0,0|0,0,2]=4 3858 B8R0.2 COC(=O)C(F)=C(C)C Amb27396094 [0,2,0,0,0,0|1,0,1]=4 3859 B8R0.2 COC(=O)C(F)C(C)=O Amb25887225 [0,2,0,0,0,0|0,0,0]=2 3860 B8R0.2 COC(=O)C(F)C(C)Cl Amb27955227 [0,2,0,0,0,0|1,0,1]=4 3861 B8R0.2 COC(=O)C(F)C(C)N Amb27625216 [0,2,0,0,0,0|1,0,1]=4 3862 B8R0.2 COC(=O)C(N)=C(C)C Amb28057573 [0,2,0,0,0,0|1,0,1]=4 3863 B8R0.2 COC(=O)C(N)C(=O)O Amb27487566 [0,2,0,0,0,0|0,0,0]=2 3864 B8R0.2 COC(=O)C(N)C(C)=O Amb21520335 [0,2,0,0,0,0|0,0,0]=2 3865 B8R0.2 COC(=O)C(N)C(C)=O Amb22491080 [0,2,0,0,0,0|0,0,0]=2 3866 B8R0.2 COC(=O)C(N)C(C)C Amb16233843 [0,2,0,0,0,0|1,0,1]=4 3867 B8R0.2 COC(=O)C(N)C(C)C Amb2720229 [0,2,0,0,0,0|1,0,1]=4 3868 B8R0.2 COC(=O)C(N)C(C)C Amb9702768 [0,2,0,0,0,0|1,0,1]=4 3869 B8R0.2 COC(=O)C(N)C(C)F Amb27390643 [0,2,0,0,0,0|1,0,1]=4 3870 B8R0.2 COC(=O)C(N)C(C)O Amb4005044 [0,2,0,0,0,0|0,0,2]=4 3871 B8R0.2 COC(=O)C(N)C(C)O Amb9204482 [0,2,0,0,0,0|0,0,2]=4 3872 B8R0.2 COC(=O)C(O)C(C)Br Amb27232794 [0,2,0,0,0,0|1,0,1]=4 3873 B8R0.2 COC(=O)C(O)C(C)C Amb24093829 [0,2,0,0,0,0|1,0,1]=4 3874 B8R0.2 COC(=O)C(O)C(C)N Amb27596094 [0,2,0,0,0,0|1,0,1]=4 3875 B8R0.2 COC(=O)C(O)C(C)O Amb27410609 [0,2,0,0,0,0|0,0,2]=4 3876 B8R0.2 COC(=O)C(S)C(C)C Amb28350746 [0,2,0,0,0,0|1,0,1]=4 3877 B8R0.2 COC(=O)C([NH3+])C(C)O Amb33513068 [0,2,0,0,0,0|0,0,2]=4 3878 B8R0.2 COC(=O)N(C)C(N)=O Amb27393251 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.2 COC(=O)[C@@H](Br)C(C)C Amb27955279 [0,2,0,0,0,0|1,0,1]=4 3880 B8R0.2 COC(=O)[C@@H](Br)[C@@H](C)Cl Amb28436749 [0,2,0,0,0,0|1,0,1]=4 3881 B8R0.2 COC(=O)[C@@H](Cl)[C@@H](C)O Amb27831417 [0,2,0,0,0,0|0,0,2]=4 3882 B8R0.2 COC(=O)[C@@H](Cl)[C@H](C)O Amb33741900 [0,2,0,0,0,0|0,0,2]=4 3883 B8R0.2 COC(=O)[C@@H](N)C(C)C Amb2719737 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.2 COC(=O)[C@@H](N)C(C)C Amb533666 [0,2,0,0,0,0|1,0,1]=4 3885 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O Amb10844890 [0,2,0,0,0,0|0,0,2]=4 3886 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O Amb6296132 [0,2,0,0,0,0|0,0,2]=4 3887 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O Amb27636193 [0,2,0,0,0,0|0,0,2]=4 3888 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O Amb33483414 [0,2,0,0,0,0|0,0,2]=4 3889 B8R0.2 COC(=O)[C@@H](O)C(C)C Amb22228179 [0,2,0,0,0,0|1,0,1]=4 3890 B8R0.2 COC(=O)[C@@H](O)[C@@H](C)N Amb28075209 [0,2,0,0,0,0|1,0,1]=4 3891 B8R0.2 COC(=O)[C@H](Br)C(C)C Amb27244045 [0,2,0,0,0,0|1,0,1]=4 3892 B8R0.2 COC(=O)[C@H](Br)[C@@H](C)O Amb28121043 [0,2,0,0,0,0|0,0,2]=4 3893 B8R0.2 COC(=O)[C@H](Br)[C@H](C)O Amb27974271 [0,2,0,0,0,0|0,0,2]=4 3894 B8R0.2 COC(=O)[C@H](C)C(C)C Amb27226106 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.2 COC(=O)[C@H](C)[C@@H](C)Br Amb27607692 [0,2,0,0,0,0|1,0,1]=4 3896 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N Amb28124532 [0,2,0,0,0,0|1,0,1]=4 3897 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O Amb27783741 [0,2,0,0,0,0|0,0,2]=4 3898 B8R0.2 COC(=O)[C@H](C)[C@H](C)N Amb27969940 [0,2,0,0,0,0|1,0,1]=4 3899 B8R0.2 COC(=O)[C@H](Cl)[C@@H](C)Cl Amb28366837 [0,2,0,0,0,0|1,0,1]=4 3900 B8R0.2 COC(=O)[C@H](Cl)[C@@H](C)F Amb27401974 [0,2,0,0,0,0|1,0,1]=4 3901 B8R0.2 COC(=O)[C@H](Cl)[C@H](C)F Amb27607693 [0,2,0,0,0,0|1,0,1]=4 3902 B8R0.2 COC(=O)[C@H](N)C(C)C Amb10604149 [0,2,0,0,0,0|1,0,1]=4 3903 B8R0.2 COC(=O)[C@H](N)C(C)C Amb16183873 [0,2,0,0,0,0|1,0,1]=4 3904 B8R0.2 COC(=O)[C@H](N)[C@@H](C)F Amb26452555 [0,2,0,0,0,0|1,0,1]=4 3905 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O Amb22744992 [0,2,0,0,0,0|0,0,2]=4 3906 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O Amb25955119 [0,2,0,0,0,0|0,0,2]=4 3907 B8R0.2 COC(=O)[C@H](N)[C@H](C)F Amb27429857 [0,2,0,0,0,0|1,0,1]=4 3908 B8R0.2 COC(=O)[C@H](N)[C@H](C)O Amb27800278 [0,2,0,0,0,0|0,0,2]=4 3909 B8R0.2 COC(=O)[C@H](N)[C@H](C)O Amb8390421 [0,2,0,0,0,0|0,0,2]=4 3910 B8R0.2 COC(=O)[C@H](O)C(C)C Amb22388621 [0,2,0,0,0,0|1,0,1]=4 3911 B8R0.2 COC(=O)[C@H](O)[C@@H](C)Cl Amb27233486 [0,2,0,0,0,0|1,0,1]=4 3912 B8R0.2 COC(=O)[C@H](O)[C@@H](C)F Amb27210162 [0,2,0,0,0,0|1,0,1]=4 3913 B8R0.2 COC(=O)[C@H](O)[C@H](C)Cl Amb28325667 [0,2,0,0,0,0|1,0,1]=4 3914 B8R0.2 COC(C)C(Br)C(=O)O Amb16233352 [0,2,0,0,0,0|0,0,2]=4 3915 B8R0.2 COC(C)C(Br)C(C)=O Amb27477738 [0,2,0,0,0,0|1,0,1]=4 3916 B8R0.2 COC(C)C(C)C(=O)O Amb10844268 [0,2,0,0,0,0|0,0,2]=4 3917 B8R0.2 COC(C)C(N)C(=O)O Amb17938689 [0,2,0,0,0,0|0,0,2]=4 3918 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [0,2,0,0,0,0|0,0,2]=4 3919 B8R0.2 COC(C)[C@@H](C)C(=O)O Amb33729616 [0,2,0,0,0,0|0,0,2]=4 3920 B8R0.2 COC(C)[C@@H](N)C(=O)O Amb25733335 [0,2,0,0,0,0|0,0,2]=4 3921 B8R0.2 COC(C)[C@H](C)C(=O)O Amb25722336 [0,2,0,0,0,0|0,0,2]=4 3922 B8R0.2 COC(C)[C@H](N)C(=O)O Amb25881538 [0,2,0,0,0,0|0,0,2]=4 3923 B8R0.2 COC(Cl)C(Cl)C(C)=O Amb27231978 [0,2,0,0,0,0|1,0,1]=4 3924 B8R0.2 CON(C)C(C)C(=O)O Amb27665034 [0,2,0,0,0,0|1,0,1]=4 3925 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O Amb26036938 [0,2,0,0,0,0|0,0,2]=4 3926 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O Amb8390422 [0,2,0,0,0,0|0,0,2]=4 3927 B8R0.2 CO[C@H](C)[C@@H](Br)C(=O)O Amb27392325 [0,2,0,0,0,0|0,0,2]=4 3928 B8R0.2 CO[C@H](C)[C@@H](Cl)C(=O)O Amb27424722 [0,2,0,0,0,0|0,0,2]=4 3929 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O Amb16183892 [0,2,0,0,0,0|0,0,2]=4 3930 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [0,2,0,0,0,0|0,0,2]=4 3931 B8R0.2 CO[C@H](Cl)[C@H](Cl)C(C)=O Amb27407718 [0,2,0,0,0,0|1,0,1]=4 3932 B8R0.2 CO\C(C)=C(/C)C(C)=O Amb25683972 [0,2,0,0,0,0|1,0,1]=4 3933 B8R0.2 CO\C(N)=C(/C)C(C)=O Amb27272676 [0,2,0,0,0,0|1,0,1]=4 3934 B8R0.2 CS[C@H](C)[C@H](N)C(=O)O Amb27771288 [0,2,0,0,0,0|0,1,1]=4 3935 B8R0.2 C[C@@H](C(=O)O)N(C)C#N Amb35634499 [0,2,0,0,0,0|2,0,0]=4 3936 B8R0.2 C[C@@H](C(=O)O)N(C)N=O Amb27642233 [0,2,0,0,0,0|1,0,0]=3 3937 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [0,2,0,0,0,0|0,0,2]=4 3938 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [0,2,0,0,0,0|0,0,2]=4 3939 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [0,2,0,0,0,0|0,0,2]=4 3940 B8R0.2 C[C@@H](O)[C@@H](N)C(=O)NO Amb28049201 [0,2,0,0,0,0|0,0,2]=4 3941 B8R0.2 C[C@@H](O)[C@H](N)C(=O)NO Amb22800603 [0,2,0,0,0,0|0,0,2]=4 3942 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [0,2,0,0,0,0|0,0,2]=4 3943 B8R0.2 C[C@H](CN)[C@@H](O)C(=O)O Amb27455474 [0,2,0,0,0,0|1,0,1]=4 3944 B8R0.2 C[C@H](Cl)[C@@H](N)C(=O)NO Amb27657831 [0,2,0,0,0,0|1,0,1]=4 3945 B8R0.2 C[C@H](O)[C@@H](C)C(=O)CO Amb28346866 [0,2,0,0,0,0|0,0,2]=4 3946 B8R0.2 C\C(C=O)=C(/Cl)C(=O)O Amb27199263 [0,2,0,0,0,0|0,0,1]=3 3947 B8R0.2 C\C(C=O)=C(\Cl)C(=O)O Amb28130176 [0,2,0,0,0,0|0,0,1]=3 3948 B8R0.2 C\C=C(/Br)C(=O)C(=O)O Amb28145171 [0,2,0,0,0,0|1,0,1]=4 3949 B8R0.2 C\C=C(/C)C(C)C(=O)O Amb27810548 [0,2,0,0,0,0|1,0,0]=3 3950 B8R0.2 C\C=C(/C)C(N)C(=O)O Amb18642706 [0,2,0,0,0,0|1,0,0]=3 3951 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [0,2,0,0,0,0|1,0,0]=3 3952 B8R0.2 C\C=C(\C)C(C)C(=O)O Amb27626047 [0,2,0,0,0,0|1,0,0]=3 3953 B8R0.2 C\C=C(\C)C(N)C(=O)O Amb27634383 [0,2,0,0,0,0|1,0,0]=3 3954 B8R0.2 C\C=C(\C)[C@H](N)C(=O)O Amb28424373 [0,2,0,0,0,0|1,0,0]=3 3955 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [0,2,0,0,0,0|1,0,1]=4 3956 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [0,2,0,0,0,0|0,0,2]=4 3957 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [0,2,0,0,0,0|0,0,2]=4 3958 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [0,2,0,0,0,0|0,1,1]=4 3959 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [0,2,0,0,0,0|1,0,1]=4 3960 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [0,2,0,0,0,0|0,0,2]=4 3961 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [0,2,0,0,0,0|0,0,2]=4 3962 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [0,2,0,0,0,0|0,0,2]=4 3963 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [0,2,0,0,0,0|0,0,2]=4 3964 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [0,2,0,0,0,0|0,0,2]=4 3965 B8R0.2 NC[C@H](F)[C@H](F)C(=O)O Amb27224824 [0,2,0,0,0,0|1,0,1]=4 3966 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [0,2,0,0,0,0|0,0,2]=4 3967 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [0,2,0,0,0,0|0,1,1]=4 3968 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [0,2,0,0,0,0|0,0,2]=4 3969 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [0,2,0,0,0,0|0,0,2]=4 3970 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [0,2,0,0,0,0|0,0,2]=4 3971 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [0,2,0,0,0,0|0,0,2]=4 3972 B8R0.2 O=C(Cl)C(Cl)C(=O)CCl Amb24433455 [0,2,0,0,0,0|1,0,0]=3 3973 B8R0.2 O=C(O)C(Br)C(Br)CBr Amb22347644 [0,2,0,0,0,0|1,0,1]=4 3974 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [0,2,0,0,0,0|0,0,2]=4 3975 B8R0.2 O=C(O)C(O)\C(Cl)=C/Cl Amb28282747 [0,2,0,0,0,0|1,0,1]=4 3976 B8R0.2 O=C(O)C(O)\C(Cl)=C\Cl Amb27439350 [0,2,0,0,0,0|1,0,1]=4 3977 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [0,2,0,0,0,0|0,0,2]=4 3978 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [0,2,0,0,0,0|0,0,2]=4 3979 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [0,2,0,0,0,0|0,0,2]=4 3980 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [0,2,0,0,0,0|0,0,2]=4 3981 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [0,2,0,0,0,0|1,0,1]=4 3982 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [0,2,0,0,0,0|1,0,1]=4 3983 B8R0.2 O=C\C(Br)=C(/Br)C(=O)O Amb26008906 [0,2,0,0,0,0|1,0,1]=4 3984 B8R0.2 O=C\C(Br)=C(\Br)C(=O)O Amb2720702 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.2 O=C\C(Cl)=C(/Br)C(=O)O Amb4005286 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.2 O=C\C(Cl)=C(/Cl)C(=O)O Amb18602727 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.2 O=C\C(Cl)=C(/O)C(=O)O Amb28384527 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O Amb2720699 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.5 C#C\C=C(/C)CC(=O)O Amb28410538 [0,2,0,0,0,0|1,0,0]=3 3993 B8R0.5 C=C(C)CC(=O)CNC Amb28126869 [0,2,0,0,0,0|2,0,0]=4 3994 B8R0.5 C=C(C)CC(=O)CSC Amb28314038 [0,2,0,0,0,0|1,1,0]=4 3995 B8R0.5 C=C(C)CC(=O)OCC Amb17940814 [0,2,0,0,0,0|1,0,0]=3 3996 B8R0.5 C=C(C)CC(=O)\C=C\C Amb28320348 [0,2,0,0,0,0|2,0,0]=4 3997 B8R0.5 C=C(C)CS(=O)CCO Amb28248269 [0,2,0,0,0,0|2,0,0]=4 3998 B8R0.5 C=C=CC(C)CC(=O)O Amb27631675 [0,2,0,0,0,0|1,0,1]=4 3999 B8R0.5 C=CCC(=O)CC(=C)C Amb28283696 [0,2,0,0,0,0|2,0,0]=4 4000 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [0,2,0,0,0,0|1,0,1]=4 4001 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [0,2,0,0,0,0|1,0,1]=4 4002 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [0,2,0,0,0,0|1,0,1]=4 4003 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [0,2,0,0,0,0|0,0,2]=4 4004 B8R0.5 C=CCN(C)CC(=O)O Amb9301047 [0,2,0,0,0,0|2,0,0]=4 4005 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [0,2,0,0,0,0|1,0,1]=4 4006 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [0,2,0,0,0,0|1,0,1]=4 4007 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [0,2,0,0,0,0|0,0,2]=4 4008 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [0,2,0,0,0,0|1,0,1]=4 4009 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [0,2,0,0,0,0|1,0,1]=4 4010 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [0,2,0,0,0,0|0,0,2]=4 4011 B8R0.5 C=COC(=O)CC(C)=O Amb28285292 [0,2,0,0,0,0|0,0,0]=2 4012 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.5 CC(=O)CC(=O)CC#N Amb24456593 [0,2,0,0,0,0|1,0,0]=3 4014 B8R0.5 CC(=O)CC(=O)\C=N\O Amb25298403 [0,2,0,0,0,0|0,0,0]=2 4015 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [0,2,0,0,0,0|1,0,1]=4 4017 B8R0.5 CC(=O)CC(O)CCBr Amb28290412 [0,2,0,0,0,0|1,0,1]=4 4018 B8R0.5 CC(=O)CN(C)CCO Amb10608107 [0,2,0,0,0,0|2,0,0]=4 4019 B8R0.5 CC(=O)C[C@@H](O)CCBr Amb27400290 [0,2,0,0,0,0|1,0,1]=4 4020 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [0,2,0,0,0,0|1,0,1]=4 4021 B8R0.5 CC(=O)C\C(Br)=C\CCl Amb27957896 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.5 CC(=O)C\C(C)=C/C#N Amb28386612 [0,2,0,0,0,0|2,0,0]=4 4023 B8R0.5 CC(=O)C\C(C)=C\C#N Amb28053990 [0,2,0,0,0,0|2,0,0]=4 4024 B8R0.5 CC(=O)C\C(Cl)=C\CCl Amb27256456 [0,2,0,0,0,0|2,0,0]=4 4025 B8R0.5 CC(=O)NC(=O)CC#N Amb2780362 [0,2,0,0,0,0|2,0,0]=4 4026 B8R0.5 CC(=O)NC(=O)OCCl Amb29885584 [0,2,0,0,0,0|1,0,0]=3 4027 B8R0.5 CC(C)=CC(=O)CCO Amb28140067 [0,2,0,0,0,0|1,0,1]=4 4028 B8R0.5 CC(C)=CC(=O)NCO Amb27461475 [0,2,0,0,0,0|1,0,1]=4 4029 B8R0.5 CC(C)=CC(=O)OCCl Amb27950071 [0,2,0,0,0,0|1,0,1]=4 4030 B8R0.5 CC(C)=CC(=O)\C=C\O Amb27435408 [0,2,0,0,0,0|1,0,1]=4 4031 B8R0.5 CC(C)=CC(=O)\C=N\O Amb27272836 [0,2,0,0,0,0|1,0,1]=4 4032 B8R0.5 CC(C)CC(=O)OCCl Amb26405187 [0,2,0,0,0,0|1,0,1]=4 4033 B8R0.5 CC(C)CC(=O)OCI Amb32410562 [0,2,0,0,0,0|1,0,1]=4 4034 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [0,2,0,0,0,0|1,0,1]=4 4035 B8R0.5 CC(CC(=O)Cl)N=C=O Amb28397291 [0,2,0,0,0,0|1,0,1]=4 4036 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [0,2,0,0,0,0|0,0,1]=3 4037 B8R0.5 CC(CC(=O)O)N=C=S Amb33471532 [0,2,0,0,0,0|0,1,1]=4 4038 B8R0.5 CC(CC(=O)O)NC#N Amb35634497 [0,2,0,0,0,0|1,0,1]=4 4039 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [0,2,0,0,0,0|0,0,1]=3 4040 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [0,2,0,0,0,0|1,0,1]=4 4041 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [0,2,0,0,0,0|1,0,1]=4 4042 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [0,2,0,0,0,0|1,0,1]=4 4043 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [0,2,0,0,0,0|0,0,2]=4 4044 B8R0.5 CC(Cl)CC(=O)OCCl Amb28343091 [0,2,0,0,0,0|1,0,1]=4 4045 B8R0.5 CC(O)CC(=O)CCO Amb27838697 [0,2,0,0,0,0|0,0,2]=4 4046 B8R0.5 CCCC(=O)CC(C)=O Amb9775079 [0,2,0,0,0,0|1,0,0]=3 4047 B8R0.5 CCCC(=O)CC(N)=O Amb28290969 [0,2,0,0,0,0|1,0,0]=3 4048 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [0,2,0,0,0,0|1,0,1]=4 4049 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [0,2,0,0,0,0|1,0,1]=4 4050 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [0,2,0,0,0,0|0,0,2]=4 4051 B8R0.5 CCCC(O)CC(C)=O Amb17593376 [0,2,0,0,0,0|1,0,1]=4 4052 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [0,2,0,0,0,0|2,0,0]=4 4053 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [0,2,0,0,0,0|2,0,0]=4 4054 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [0,2,0,0,0,0|1,0,1]=4 4055 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,2,0,0,0,0|1,0,0]=3 4056 B8R0.5 CCCS(=O)CC(C)=O Amb27180126 [0,2,0,0,0,0|2,0,0]=4 4057 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [0,2,0,0,0,0|1,0,1]=4 4059 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [0,2,0,0,0,0|0,0,2]=4 4060 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [0,2,0,0,0,0|1,0,1]=4 4061 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [0,2,0,0,0,0|1,0,1]=4 4062 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [0,2,0,0,0,0|1,0,1]=4 4063 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [0,2,0,0,0,0|1,0,1]=4 4064 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [0,2,0,0,0,0|0,0,2]=4 4065 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,2,0,0,0,0|1,0,1]=4 4066 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,2,0,0,0,0|0,0,0]=2 4067 B8R0.5 CCNC(=O)CC(C)=O Amb6254356 [0,2,0,0,0,0|1,0,0]=3 4068 B8R0.5 CCNC(=O)CC(C)O Amb27655635 [0,2,0,0,0,0|1,0,1]=4 4069 B8R0.5 CCNC(=O)CC(N)=O Amb28058296 [0,2,0,0,0,0|1,0,0]=3 4070 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [0,2,0,0,0,0|1,0,1]=4 4071 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [0,2,0,0,0,0|1,0,1]=4 4072 B8R0.5 CCOC(=N)CC(=O)O Amb26612803 [0,2,0,0,0,0|1,0,0]=3 4073 B8R0.5 CCOC(=N)CC(N)=O Amb26328004 [0,2,0,0,0,0|2,0,0]=4 4074 B8R0.5 CCOC(=O)C=C(C)C Amb8383887 [0,2,0,0,0,0|1,0,1]=4 4075 B8R0.5 CCOC(=O)CC(=N)N Amb2695194 [0,2,0,0,0,0|2,0,0]=4 4076 B8R0.5 CCOC(=O)CC(=N)N Amb2721805 [0,2,0,0,0,0|2,0,0]=4 4077 B8R0.5 CCOC(=O)CC(=O)Cl Amb3939375 [0,2,0,0,0,0|1,0,0]=3 4078 B8R0.5 CCOC(=O)CC(=O)O Amb22492654 [0,2,0,0,0,0|0,0,0]=2 4079 B8R0.5 CCOC(=O)CC(=O)O Amb3939916 [0,2,0,0,0,0|0,0,0]=2 4080 B8R0.5 CCOC(=O)CC(=O)[O-] Amb2221978 [0,2,0,0,0,0|0,0,1]=3 4081 B8R0.5 CCOC(=O)CC(C)=O Amb2793050 [0,2,0,0,0,0|0,0,0]=2 4082 B8R0.5 CCOC(=O)CC(C)Br Amb17940889 [0,2,0,0,0,0|1,0,1]=4 4083 B8R0.5 CCOC(=O)CC(C)C Amb3940132 [0,2,0,0,0,0|1,0,1]=4 4084 B8R0.5 CCOC(=O)CC(C)N Amb32729455 [0,2,0,0,0,0|1,0,1]=4 4085 B8R0.5 CCOC(=O)CC(C)N Amb3939018 [0,2,0,0,0,0|1,0,1]=4 4086 B8R0.5 CCOC(=O)CC(C)O Amb3940380 [0,2,0,0,0,0|0,0,2]=4 4087 B8R0.5 CCOC(=O)CC(C)S Amb19515282 [0,2,0,0,0,0|0,1,1]=4 4088 B8R0.5 CCOC(=O)CC(N)=O Amb8390795 [0,2,0,0,0,0|1,0,0]=3 4089 B8R0.5 CCOC(=O)CC(N)=S Amb1154429 [0,2,0,0,0,0|1,1,0]=4 4090 B8R0.5 CCOC(=O)CN(=O)=O Amb17781240 [0,2,0,0,0,0|1,0,1]=4 4091 B8R0.5 CCOC(=O)CN(C)C Amb7755998 [0,2,0,0,0,0|2,0,0]=4 4092 B8R0.5 CCOC(=O)CN(C)O Amb27626609 [0,2,0,0,0,0|1,0,1]=4 4093 B8R0.5 CCOC(=O)CS(=O)Cl Amb26449616 [0,2,0,0,0,0|2,0,0]=4 4094 B8R0.5 CCOC(=O)CS(=O)O Amb27452527 [0,2,0,0,0,0|1,0,0]=3 4095 B8R0.5 CCOC(=O)CS(=O)[O-] Amb25982856 [0,2,0,0,0,0|1,0,1]=4 4096 B8R0.5 CCOC(=O)CS(C)=O Amb18177141 [0,2,0,0,0,0|1,0,0]=3 4097 B8R0.5 CCOC(=O)CS(N)=O Amb32720318 [0,2,0,0,0,0|2,0,0]=4 4098 B8R0.5 CCOC(=O)C[C@@H](C)N Amb2699158 [0,2,0,0,0,0|1,0,1]=4 4099 B8R0.5 CCOC(=O)C[C@@H](C)O Amb4166314 [0,2,0,0,0,0|0,0,2]=4 4100 B8R0.5 CCOC(=O)C[C@H](C)N Amb2699157 [0,2,0,0,0,0|1,0,1]=4 4101 B8R0.5 CCOC(=O)C[C@H](C)N Amb2699202 [0,2,0,0,0,0|1,0,1]=4 4102 B8R0.5 CCOC(=O)C[C@H](C)O Amb4166317 [0,2,0,0,0,0|0,0,2]=4 4103 B8R0.5 CCOC(=O)C[N+](=O)[O-] Amb2687910 [0,2,0,0,0,0|1,0,1]=4 4104 B8R0.5 CCOC(=O)NC(C)=N Amb27856131 [0,2,0,0,0,0|2,0,0]=4 4105 B8R0.5 CCOC(=O)NC(C)=O Amb4017539 [0,2,0,0,0,0|1,0,0]=3 4106 B8R0.5 CCOC(=O)NC(C)=S Amb27777207 [0,2,0,0,0,0|1,1,0]=4 4107 B8R0.5 CCOC(=O)NC(N)=O Amb19884044 [0,2,0,0,0,0|2,0,0]=4 4108 B8R0.5 CCOC(=O)\C=C(/C)N Amb3318595 [0,2,0,0,0,0|1,0,1]=4 4109 B8R0.5 CCOC(=O)\C=C(\C)Br Amb30621759 [0,2,0,0,0,0|1,0,1]=4 4110 B8R0.5 CCOC(=O)\C=C(\C)Cl Amb27632644 [0,2,0,0,0,0|1,0,1]=4 4111 B8R0.5 CCOC(=O)\C=C(\C)I Amb25790655 [0,2,0,0,0,0|1,0,1]=4 4112 B8R0.5 CCOC(=O)\C=C(\C)N Amb6608713 [0,2,0,0,0,0|1,0,1]=4 4113 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [0,2,0,0,0,0|0,0,2]=4 4114 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [0,2,0,0,0,0|1,0,1]=4 4115 B8R0.5 CCO[C@@H](C)CC(C)=O Amb27424691 [0,2,0,0,0,0|1,0,1]=4 4116 B8R0.5 CCO[C@H](O)CC(C)=O Amb27838621 [0,2,0,0,0,0|0,0,2]=4 4117 B8R0.5 CCO\C(C)=C/C(C)=O Amb25147210 [0,2,0,0,0,0|1,0,1]=4 4118 B8R0.5 CCO\C(C)=C\C(C)=O Amb28134099 [0,2,0,0,0,0|1,0,1]=4 4119 B8R0.5 CCO\C(N)=C\C(=O)O Amb28285256 [0,2,0,0,0,0|1,0,1]=4 4120 B8R0.5 CCSC(=O)CC(=O)O Amb27406351 [0,2,0,0,0,0|0,0,0]=2 4121 B8R0.5 CCSC(=O)CC(C)=O Amb27234619 [0,2,0,0,0,0|0,1,0]=3 4122 B8R0.5 CCSC(=O)C[C@H](C)O Amb27180461 [0,2,0,0,0,0|1,0,1]=4 4123 B8R0.5 CCSC(=S)CC(C)=O Amb27838746 [0,2,0,0,0,0|0,2,0]=4 4124 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [0,2,0,0,0,0|0,1,1]=4 4125 B8R0.5 CC\C=C(/Br)CC(=O)O Amb28208655 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.5 CC\C=C(\C)CC(N)=O Amb27771837 [0,2,0,0,0,0|2,0,0]=4 4127 B8R0.5 CC\N=C(/C)CC(C)=O Amb28052216 [0,2,0,0,0,0|2,0,0]=4 4128 B8R0.5 CN(C)CC(=O)OCCl Amb32677198 [0,2,0,0,0,0|2,0,0]=4 4129 B8R0.5 CN(CC#N)CC(=O)O Amb9301061 [0,2,0,0,0,0|2,0,0]=4 4130 B8R0.5 CN(CC=O)CC(N)=O Amb28041288 [0,2,0,0,0,0|2,0,0]=4 4131 B8R0.5 CN(CCN)CC(=O)O Amb18313585 [0,2,0,0,0,0|2,0,0]=4 4132 B8R0.5 CN(CCN)CC(=O)O Amb32701580 [0,2,0,0,0,0|2,0,0]=4 4133 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [0,2,0,0,0,0|1,0,1]=4 4134 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [0,2,0,0,0,0|0,0,2]=4 4135 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [0,2,0,0,0,0|0,0,2]=4 4136 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [0,2,0,0,0,0|1,0,1]=4 4137 B8R0.5 CN\N=C(/C)CC(C)=O Amb27850029 [0,2,0,0,0,0|2,0,0]=4 4138 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,2,0,0,0,0|0,0,0]=2 4139 B8R0.5 COCC(=O)CC(C)=O Amb15701314 [0,2,0,0,0,0|0,0,0]=2 4140 B8R0.5 COCC(=O)CC(C)C Amb19301970 [0,2,0,0,0,0|1,0,1]=4 4141 B8R0.5 COCC(=O)CC(C)N Amb27949513 [0,2,0,0,0,0|1,0,1]=4 4142 B8R0.5 COCC(C)CC(=O)O Amb19024342 [0,2,0,0,0,0|0,0,2]=4 4143 B8R0.5 COCC(C)CC(C)=O Amb27464321 [0,2,0,0,0,0|1,0,1]=4 4144 B8R0.5 COCC(N)CC(=O)O Amb26641146 [0,2,0,0,0,0|1,0,1]=4 4145 B8R0.5 COCC(O)CC(=O)O Amb18832518 [0,2,0,0,0,0|0,0,2]=4 4146 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [0,2,0,0,0,0|0,0,2]=4 4147 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [0,2,0,0,0,0|1,0,1]=4 4148 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [0,2,0,0,0,0|1,0,1]=4 4149 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [0,2,0,0,0,0|0,0,2]=4 4150 B8R0.5 COC\C(C)=C\C(=O)O Amb25311787 [0,2,0,0,0,0|0,0,2]=4 4151 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [0,2,0,0,0,0|1,0,1]=4 4152 B8R0.5 CONC(=O)CC(C)N Amb27791397 [0,2,0,0,0,0|1,0,1]=4 4153 B8R0.5 CONC(=O)\C=C(/C)N Amb27975645 [0,2,0,0,0,0|1,0,1]=4 4154 B8R0.5 CONC(C)CC(=O)O Amb26844930 [0,2,0,0,0,0|0,0,2]=4 4155 B8R0.5 CON\C(C)=C/C(C)=O Amb27453399 [0,2,0,0,0,0|1,0,1]=4 4156 B8R0.5 COOC(=O)CC(C)=O Amb24096083 [0,2,0,0,0,0|0,0,0]=2 4157 B8R0.5 CO\C=C(\C)CC(=O)O Amb27410916 [0,2,0,0,0,0|0,0,1]=3 4158 B8R0.5 CO\N=C(/C)CC(C)=O Amb25179533 [0,2,0,0,0,0|1,0,0]=3 4159 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [0,2,0,0,0,0|1,0,1]=4 4160 B8R0.5 CS(=O)CC(=O)\C=N\O Amb27489005 [0,2,0,0,0,0|1,0,0]=3 4161 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [0,2,0,0,0,0|0,1,1]=4 4162 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [0,2,0,0,0,0|0,0,2]=4 4164 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [0,2,0,0,0,0|1,0,1]=4 4165 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [0,2,0,0,0,0|0,0,2]=4 4166 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [0,2,0,0,0,0|0,0,2]=4 4167 B8R0.5 C[C@@H](CC(=O)O)N=[N+]=[N-] Amb27657105 [0,2,0,0,0,0|1,0,1]=4 4168 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [0,2,0,0,0,0|0,0,1]=3 4169 B8R0.5 C[C@H](CC(=O)O)N=C=S Amb33471590 [0,2,0,0,0,0|0,1,1]=4 4170 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [0,2,0,0,0,0|0,0,2]=4 4171 B8R0.5 C\C(=C/C#N)CC(N)=O Amb27413062 [0,2,0,0,0,0|2,0,0]=4 4172 B8R0.5 C\C(=C\C(=O)O)CCS Amb28345950 [0,2,0,0,0,0|0,1,1]=4 4173 B8R0.5 C\C=C\C(=O)NC(N)=O Amb27810821 [0,2,0,0,0,0|2,0,0]=4 4174 B8R0.5 C\C=C\C(C)=C\C(=O)O Amb28201686 [0,2,0,0,0,0|1,0,1]=4 4175 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [0,2,0,0,0,0|1,0,1]=4 4176 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [0,2,0,0,0,0|0,0,2]=4 4177 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [0,2,0,0,0,0|1,0,1]=4 4178 B8R0.5 N#CCC(=O)NC(N)=O Amb6374269 [0,2,0,0,0,0|2,0,0]=4 4179 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [0,2,0,0,0,0|0,0,2]=4 4180 B8R0.5 N#CCS(=O)CC(=O)O Amb18984975 [0,2,0,0,0,0|1,0,0]=3 4181 B8R0.5 NC(=O)CS(=O)CC=O Amb28246278 [0,2,0,0,0,0|2,0,0]=4 4182 B8R0.5 NC(=O)NC(=O)CCCl Amb475298 [0,2,0,0,0,0|2,0,0]=4 4183 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [0,2,0,0,0,0|1,0,1]=4 4184 B8R0.5 NCCC(=O)NC(N)=O Amb20623770 [0,2,0,0,0,0|2,0,0]=4 4185 B8R0.5 NCCC(=O)NC(N)=O Amb22058738 [0,2,0,0,0,0|2,0,0]=4 4186 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [0,2,0,0,0,0|1,0,1]=4 4187 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [0,2,0,0,0,0|0,0,2]=4 4188 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [0,2,0,0,0,0|0,0,2]=4 4189 B8R0.5 NCCS(=O)CC(N)=O Amb28456172 [0,2,0,0,0,0|2,0,0]=4 4190 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [0,2,0,0,0,0|1,0,1]=4 4191 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [0,2,0,0,0,0|1,0,1]=4 4192 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [0,2,0,0,0,0|1,0,1]=4 4193 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [0,2,0,0,0,0|0,0,2]=4 4194 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [0,2,0,0,0,0|0,0,2]=4 4195 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [0,2,0,0,0,0|0,0,2]=4 4196 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [0,2,0,0,0,0|0,0,2]=4 4197 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [0,2,0,0,0,0|0,0,2]=4 4198 B8R0.5 O=C(O)\C=C(/Cl)CCO Amb27845284 [0,2,0,0,0,0|1,0,1]=4 4199 B8R0.16 C=CC(CC(C)=O)OC Amb26556400 [0,2,0,0,0,0|1,0,1]=4 4200 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [0,2,0,0,0,0|1,0,1]=4 4201 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [0,2,0,0,0,0|1,0,1]=4 4202 B8R0.16 C=C\C(=C/C(=O)O)CC Amb28058156 [0,2,0,0,0,0|1,0,1]=4 4203 B8R0.16 C=C\C(=C/C(C)=O)OC Amb26934531 [0,2,0,0,0,0|1,0,1]=4 4204 B8R0.16 C=C\C(=N/O)NC(C)=O Amb25249213 [0,2,0,0,0,0|2,0,0]=4 4205 B8R0.16 CC(=O)CC(C=O)C=O Amb25767018 [0,2,0,0,0,0|0,0,2]=4 4206 B8R0.16 CC(=O)NC(C=O)CO Amb27816982 [0,2,0,0,0,0|1,0,1]=4 4207 B8R0.16 CC(=O)N\C(C=O)=C/N Amb28287330 [0,2,0,0,0,0|2,0,0]=4 4208 B8R0.16 CC(C)C\C(C=O)=N/O Amb28287305 [0,2,0,0,0,0|1,0,1]=4 4209 B8R0.16 CCC(=CC(=O)O)CC Amb6749110 [0,2,0,0,0,0|1,0,1]=4 4210 B8R0.16 CCC(C#N)CC(=O)O Amb26871850 [0,2,0,0,0,0|1,0,1]=4 4211 B8R0.16 CCC(C=O)CC(C)=O Amb18642641 [0,2,0,0,0,0|1,0,1]=4 4212 B8R0.16 CCC(CC(=O)O)OC Amb19037306 [0,2,0,0,0,0|0,0,2]=4 4213 B8R0.16 CCC(CC(=O)O)SC Amb18316304 [0,2,0,0,0,0|0,1,1]=4 4214 B8R0.16 CCC(CC(C)=O)OC Amb25053006 [0,2,0,0,0,0|1,0,1]=4 4215 B8R0.16 CCC(CC)CC(=O)O Amb6749211 [0,2,0,0,0,0|1,0,1]=4 4216 B8R0.16 CCC(CN)CC(=O)O Amb20669457 [0,2,0,0,0,0|1,0,1]=4 4217 B8R0.16 CCC(CN)CC(=O)O Amb22059482 [0,2,0,0,0,0|1,0,1]=4 4218 B8R0.16 CCN(C#N)CC(=O)O Amb35634503 [0,2,0,0,0,0|2,0,0]=4 4219 B8R0.16 CCN(C=O)CC(=O)O Amb18972736 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.16 CCN(C=O)CC(N)=O Amb27593321 [0,2,0,0,0,0|2,0,0]=4 4221 B8R0.16 CCN(CC(N)=O)N=O Amb27173174 [0,2,0,0,0,0|2,0,0]=4 4222 B8R0.16 CCN(CC)CC(=O)O Amb19258254 [0,2,0,0,0,0|2,0,0]=4 4223 B8R0.16 CCN(CC)CC(=O)O Amb2721806 [0,2,0,0,0,0|2,0,0]=4 4224 B8R0.16 CC[C@H](C=O)CC(=O)[O-] Amb28198369 [0,2,0,0,0,0|0,0,2]=4 4225 B8R0.16 CC\[N+](CC(=O)O)=N\[O-] Amb25365958 [0,2,0,0,0,0|1,0,1]=4 4226 B8R0.16 CN\C(=C/C(C)=O)OC Amb27640406 [0,2,0,0,0,0|1,0,1]=4 4227 B8R0.16 COC(=CC(C)=O)OC Amb28350890 [0,2,0,0,0,0|0,0,2]=4 4228 B8R0.16 COC(CC(=O)O)OC Amb22231899 [0,2,0,0,0,0|0,0,2]=4 4229 B8R0.16 COC(CC(C)=O)OC Amb6608687 [0,2,0,0,0,0|0,0,2]=4 4230 B8R0.16 COC(CCl)CC(C)=O Amb28364308 [0,2,0,0,0,0|1,0,1]=4 4231 B8R0.16 COC(CN)CC(=O)O Amb27806172 [0,2,0,0,0,0|0,0,2]=4 4232 B8R0.16 COC(CN)CC(=O)O Amb28555397 [0,2,0,0,0,0|0,0,2]=4 4233 B8R0.16 CO\C(C=O)=C/C(C)=O Amb27233877 [0,2,0,0,0,0|0,0,1]=3 4234 B8R0.16 CSC(=CC(=O)O)SC Amb27592170 [0,2,0,0,0,0|0,1,1]=4 4235 B8R0.16 CSC(CC(=O)O)SC Amb27165674 [0,2,0,0,0,0|0,1,1]=4 4236 B8R0.16 CSC(CCl)CC(=O)O Amb28042698 [0,2,0,0,0,0|0,1,1]=4 4237 B8R0.16 C\C=C(/C#N)CC(C)=O Amb28195939 [0,2,0,0,0,0|2,0,0]=4 4238 B8R0.16 C\C=C(/CC)CC(=O)O Amb27473412 [0,2,0,0,0,0|1,0,0]=3 4239 B8R0.16 C\C=C(/CC)CC(N)=O Amb27830307 [0,2,0,0,0,0|2,0,0]=4 4240 B8R0.16 NCC(CF)CC(=O)O Amb27244579 [0,2,0,0,0,0|1,0,1]=4 4241 B8R0.16 NCC(CO)CC(=O)O Amb22546422 [0,2,0,0,0,0|0,0,2]=4 4242 B8R0.16 NC\C(=C/F)CC(=O)O Amb27960296 [0,2,0,0,0,0|1,0,0]=3 4243 B8R0.16 O=C(O)CC(CF)CF Amb27448541 [0,2,0,0,0,0|1,0,1]=4 4244 B8R0.16 O=C(O)CC(CO)CCl Amb27468690 [0,2,0,0,0,0|0,0,2]=4 4245 B8R0.16 O=C(O)CN(CO)CO Amb27412887 [0,2,0,0,0,0|1,0,1]=4 4246 B8R0.16 O=C\C(=C/C(=O)O)CCl Amb24656100 [0,2,0,0,0,0|0,0,1]=3 4247 B8R0.19 C#CC(=O)CC(=O)OC Amb27599357 [0,2,0,0,0,0|0,0,1]=3 4248 B8R0.19 C#CC(O)CC(=O)OC Amb28078873 [0,2,0,0,0,0|1,0,1]=4 4249 B8R0.19 C=C(C#N)CC(=O)OC Amb18642277 [0,2,0,0,0,0|1,0,1]=4 4250 B8R0.19 C=C(CBr)CC(=O)OC Amb28076120 [0,2,0,0,0,0|1,0,0]=3 4251 B8R0.19 C=C(CCl)CC(=O)OC Amb24053257 [0,2,0,0,0,0|1,0,0]=3 4252 B8R0.19 C=C(CO)CC(=O)OC Amb28455395 [0,2,0,0,0,0|1,0,0]=3 4253 B8R0.19 C=C=C(C)CC(=C)CO Amb28315424 [0,2,0,0,0,0|2,0,0]=4 4254 B8R0.19 C=CC(=C)CC(=O)CC Amb27838704 [0,2,0,0,0,0|2,0,0]=4 4255 B8R0.19 C=CC(=O)CC(=O)OC Amb17593339 [0,2,0,0,0,0|0,0,1]=3 4256 B8R0.19 C=CC(=O)NC(=O)NC Amb6892320 [0,2,0,0,0,0|2,0,0]=4 4257 B8R0.19 CC(CN)CC(=O)NO Amb27395401 [0,2,0,0,0,0|1,0,1]=4 4258 B8R0.19 CCC(=O)CC(=O)CC Amb2688649 [0,2,0,0,0,0|1,0,0]=3 4259 B8R0.19 CCC(=O)CC(=O)OC Amb2691582 [0,2,0,0,0,0|0,0,0]=2 4260 B8R0.19 CCC(=O)CC(O)CC Amb28144079 [0,2,0,0,0,0|1,0,1]=4 4261 B8R0.19 CCC(=O)CN(C)N=O Amb26327061 [0,2,0,0,0,0|2,0,0]=4 4262 B8R0.19 CCC(=O)C[C@H](O)OC Amb27838622 [0,2,0,0,0,0|0,0,2]=4 4263 B8R0.19 CCC(=O)C\C(C)=C\Cl Amb27948586 [0,2,0,0,0,0|2,0,0]=4 4264 B8R0.19 CCC(=O)NC(=O)CC Amb17940302 [0,2,0,0,0,0|2,0,0]=4 4265 B8R0.19 CCC(=O)NC(=O)CN Amb27626956 [0,2,0,0,0,0|2,0,0]=4 4266 B8R0.19 CCC(=O)NC(=O)NC Amb27877686 [0,2,0,0,0,0|2,0,0]=4 4267 B8R0.19 CCC(=O)NC(=O)OC Amb27845509 [0,2,0,0,0,0|1,0,0]=3 4268 B8R0.19 CCC(=O)OC(=O)CC Amb8513299 [0,2,0,0,0,0|2,0,0]=4 4269 B8R0.19 CCC(=O)\C=C(/N)CO Amb28049853 [0,2,0,0,0,0|1,0,1]=4 4270 B8R0.19 CCC(=O)\C=C(\N)CO Amb27422020 [0,2,0,0,0,0|1,0,1]=4 4271 B8R0.19 CCC(Br)CC(=O)OC Amb27477901 [0,2,0,0,0,0|1,0,1]=4 4272 B8R0.19 CCC(C)CC(=O)CO Amb26515791 [0,2,0,0,0,0|1,0,1]=4 4273 B8R0.19 CCC(C)CC(=O)NO Amb28321295 [0,2,0,0,0,0|1,0,1]=4 4274 B8R0.19 CCC(C)CC(=O)OC Amb22352867 [0,2,0,0,0,0|1,0,1]=4 4275 B8R0.19 CCC(Cl)CC(=O)OC Amb27971680 [0,2,0,0,0,0|1,0,1]=4 4276 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [0,2,0,0,0,0|1,0,1]=4 4277 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [0,2,0,0,0,0|1,0,1]=4 4278 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [0,2,0,0,0,0|0,0,2]=4 4279 B8R0.19 CCN(C)CC(=O)OC Amb8873255 [0,2,0,0,0,0|2,0,0]=4 4280 B8R0.19 CC[C@@H](C)CC(=O)OC Amb28059460 [0,2,0,0,0,0|1,0,1]=4 4281 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [0,2,0,0,0,0|1,0,1]=4 4282 B8R0.19 CC[C@@H](N)CC(=O)OC Amb26016603 [0,2,0,0,0,0|1,0,1]=4 4283 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [0,2,0,0,0,0|0,0,2]=4 4284 B8R0.19 CC[C@H](N)CC(=O)OC Amb27411455 [0,2,0,0,0,0|1,0,1]=4 4285 B8R0.19 CC[C@H](N)CC(=O)OC Amb33457880 [0,2,0,0,0,0|1,0,1]=4 4286 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [0,2,0,0,0,0|0,0,2]=4 4287 B8R0.19 CC\C(C)=C\C(=O)OC Amb25334129 [0,2,0,0,0,0|1,0,1]=4 4288 B8R0.19 CC\C(N)=C\C(=O)OC Amb26515846 [0,2,0,0,0,0|1,0,1]=4 4289 B8R0.19 CNC(=O)CC(=N)SC Amb27882153 [0,2,0,0,0,0|1,1,0]=4 4290 B8R0.19 CNC(=O)CC(=O)NN Amb1980865 [0,2,0,0,0,0|1,0,0]=3 4291 B8R0.19 CNC(=O)CC(=O)OC Amb17399823 [0,2,0,0,0,0|0,0,0]=2 4292 B8R0.19 CNC(=O)CC(O)C#N Amb27865233 [0,2,0,0,0,0|1,0,1]=4 4293 B8R0.19 CNC(=O)CC(O)CO Amb25960171 [0,2,0,0,0,0|0,0,2]=4 4294 B8R0.19 CNC(=O)C\C(N)=N\O Amb8846184 [0,2,0,0,0,0|1,0,0]=3 4295 B8R0.19 CNC(=O)NC(=N)OC Amb27169012 [0,2,0,0,0,0|2,0,0]=4 4296 B8R0.19 CNC(=O)NC(=O)CBr Amb28366908 [0,2,0,0,0,0|2,0,0]=4 4297 B8R0.19 CNC(=O)NC(=O)CCl Amb2370485 [0,2,0,0,0,0|2,0,0]=4 4298 B8R0.19 CNC(=O)NC(=O)CF Amb28289514 [0,2,0,0,0,0|2,0,0]=4 4299 B8R0.19 CNC(=O)\C=C(/C)OC Amb28119969 [0,2,0,0,0,0|1,0,1]=4 4300 B8R0.19 CNC(=S)NC(=O)OC Amb27945516 [0,2,0,0,0,0|1,1,0]=4 4301 B8R0.19 CNC(C)CC(=O)OC Amb9398364 [0,2,0,0,0,0|1,0,1]=4 4302 B8R0.19 CN[C@H](C)CC(=O)OC Amb33495831 [0,2,0,0,0,0|1,0,1]=4 4303 B8R0.19 CN\C(C)=C/C(=O)OC Amb2386651 [0,2,0,0,0,0|1,0,1]=4 4304 B8R0.19 CN\C(C)=C\C(=O)OC Amb24401759 [0,2,0,0,0,0|1,0,1]=4 4305 B8R0.19 COC(=N)CC(=N)OC Amb24700148 [0,2,0,0,0,0|2,0,0]=4 4306 B8R0.19 COC(=N)CC(=O)OC Amb24476600 [0,2,0,0,0,0|1,0,0]=3 4307 B8R0.19 COC(=N)NC(=O)CCl Amb27453643 [0,2,0,0,0,0|2,0,0]=4 4308 B8R0.19 COC(=O)CC(=O)C#N Amb28141269 [0,2,0,0,0,0|0,0,1]=3 4309 B8R0.19 COC(=O)CC(=O)CCl Amb3940254 [0,2,0,0,0,0|0,0,0]=2 4310 B8R0.19 COC(=O)CC(=O)CF Amb27409309 [0,2,0,0,0,0|0,0,0]=2 4311 B8R0.19 COC(=O)CC(=O)OC Amb6196416 [0,2,0,0,0,0|0,0,0]=2 4312 B8R0.19 COC(=O)CC(=S)OC Amb27399792 [0,2,0,0,0,0|0,1,0]=3 4313 B8R0.19 COC(=O)CC(C)C#N Amb17334095 [0,2,0,0,0,0|1,0,1]=4 4314 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [0,2,0,0,0,0|0,0,1]=3 4315 B8R0.19 COC(=O)CC(C)CBr Amb24692917 [0,2,0,0,0,0|1,0,1]=4 4316 B8R0.19 COC(=O)CC(C)CN Amb18642843 [0,2,0,0,0,0|1,0,1]=4 4317 B8R0.19 COC(=O)CC(C)CN Amb33457749 [0,2,0,0,0,0|1,0,1]=4 4318 B8R0.19 COC(=O)CC(C)OC Amb9397848 [0,2,0,0,0,0|0,0,2]=4 4319 B8R0.19 COC(=O)CC(C)SC Amb19374125 [0,2,0,0,0,0|0,1,1]=4 4320 B8R0.19 COC(=O)CC(F)C=O Amb27173133 [0,2,0,0,0,0|1,0,1]=4 4321 B8R0.19 COC(=O)CC(F)CBr Amb28400231 [0,2,0,0,0,0|1,0,1]=4 4322 B8R0.19 COC(=O)CC(F)CN Amb28400247 [0,2,0,0,0,0|1,0,1]=4 4323 B8R0.19 COC(=O)CC(N)CN Amb22264781 [0,2,0,0,0,0|1,0,1]=4 4324 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [0,2,0,0,0,0|0,0,2]=4 4325 B8R0.19 COC(=O)CC(O)CF Amb26920791 [0,2,0,0,0,0|0,0,2]=4 4326 B8R0.19 COC(=O)CC(O)CN Amb25146166 [0,2,0,0,0,0|0,0,2]=4 4327 B8R0.19 COC(=O)CC(O)CN Amb32668884 [0,2,0,0,0,0|0,0,2]=4 4328 B8R0.19 COC(=O)CC(O)CO Amb6600485 [0,2,0,0,0,0|0,0,2]=4 4329 B8R0.19 COC(=O)CC([NH3+])C[NH3+] Amb24112943 [0,2,0,0,0,0|1,0,1]=4 4330 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [0,2,0,0,0,0|1,0,0]=3 4331 B8R0.19 COC(=O)CN(C)N=O Amb17618624 [0,2,0,0,0,0|1,0,0]=3 4332 B8R0.19 COC(=O)C[C@@H](C)C=O Amb27863686 [0,2,0,0,0,0|0,0,1]=3 4333 B8R0.19 COC(=O)C[C@@H](C)CN Amb27216066 [0,2,0,0,0,0|1,0,1]=4 4334 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [0,2,0,0,0,0|0,0,2]=4 4335 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [0,2,0,0,0,0|0,0,2]=4 4336 B8R0.19 COC(=O)C[C@@H](O)CCl Amb8394990 [0,2,0,0,0,0|0,0,2]=4 4337 B8R0.19 COC(=O)C[C@@H](O)CF Amb33358243 [0,2,0,0,0,0|0,0,2]=4 4338 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [0,2,0,0,0,0|0,0,2]=4 4339 B8R0.19 COC(=O)C[C@@H](O)CN Amb33330793 [0,2,0,0,0,0|0,0,2]=4 4340 B8R0.19 COC(=O)C[C@H](C)C=O Amb28366984 [0,2,0,0,0,0|0,0,1]=3 4341 B8R0.19 COC(=O)C[C@H](C)CN Amb27202560 [0,2,0,0,0,0|1,0,1]=4 4342 B8R0.19 COC(=O)C[C@H](C)CO Amb27831499 [0,2,0,0,0,0|0,0,2]=4 4343 B8R0.19 COC(=O)C[C@H](O)CBr Amb8384043 [0,2,0,0,0,0|0,0,2]=4 4344 B8R0.19 COC(=O)C[C@H](O)CCl Amb2695337 [0,2,0,0,0,0|0,0,2]=4 4345 B8R0.19 COC(=O)C[C@H](O)CF Amb33358247 [0,2,0,0,0,0|0,0,2]=4 4346 B8R0.19 COC(=O)C[C@H](O)CN Amb26604358 [0,2,0,0,0,0|0,0,2]=4 4347 B8R0.19 COC(=O)C[C@H](O)CN Amb33331047 [0,2,0,0,0,0|0,0,2]=4 4348 B8R0.19 COC(=O)C[C@H](O)CO Amb13883661 [0,2,0,0,0,0|0,0,2]=4 4349 B8R0.19 COC(=O)NC(=O)CBr Amb27749889 [0,2,0,0,0,0|1,0,0]=3 4350 B8R0.19 COC(=O)NC(=O)CCl Amb1152897 [0,2,0,0,0,0|1,0,0]=3 4351 B8R0.19 COC(=O)NC(=O)CI Amb20668254 [0,2,0,0,0,0|1,0,0]=3 4352 B8R0.19 COC(=O)NC(=O)CN Amb28280461 [0,2,0,0,0,0|1,0,0]=3 4353 B8R0.19 COC(=O)NC(=O)NCl Amb27646351 [0,2,0,0,0,0|2,0,0]=4 4354 B8R0.19 COC(=O)OC(=O)OC Amb20240544 [0,2,0,0,0,0|1,0,0]=3 4355 B8R0.19 COC(=O)\C=C(/C)C=O Amb25702407 [0,2,0,0,0,0|0,0,1]=3 4356 B8R0.19 COC(=O)\C=C(/C)CBr Amb32644500 [0,2,0,0,0,0|1,0,1]=4 4357 B8R0.19 COC(=O)\C=C(/C)CCl Amb27202979 [0,2,0,0,0,0|1,0,1]=4 4358 B8R0.19 COC(=O)\C=C(/C)OC Amb21927982 [0,2,0,0,0,0|0,0,2]=4 4359 B8R0.19 COC(=O)\C=C(/N)CF Amb28437058 [0,2,0,0,0,0|1,0,1]=4 4360 B8R0.19 COC(=O)\C=C(/N)OC Amb27601365 [0,2,0,0,0,0|1,0,1]=4 4361 B8R0.19 COC(=O)\C=C(/N)OC Amb33483252 [0,2,0,0,0,0|1,0,1]=4 4362 B8R0.19 COC(=O)\C=C(\C)CO Amb27827476 [0,2,0,0,0,0|0,0,2]=4 4363 B8R0.19 COC(=O)\C=C(\O)CBr Amb27659271 [0,2,0,0,0,0|0,0,2]=4 4364 B8R0.19 COC(=O)\N=C(/N)SC Amb27489326 [0,2,0,0,0,0|2,0,0]=4 4365 B8R0.19 COC(=S)CC(=S)OC Amb28204638 [0,2,0,0,0,0|0,2,0]=4 4366 B8R0.19 C\C(CC(=O)NN)=N/N Amb27769111 [0,2,0,0,0,0|2,0,0]=4 4367 B8R0.19 C\C(C\C(C)=N\O)=N/O Amb27187204 [0,2,0,0,0,0|1,0,1]=4 4368 B8R0.19 C\C(C\C(C)=N\O)=N\O Amb2720835 [0,2,0,0,0,0|1,0,1]=4 4369 B8R0.19 C\N=C(/C)CC(=O)OC Amb25888830 [0,2,0,0,0,0|1,0,0]=3 4370 B8R0.19 NNC(=O)CC(=O)NN Amb6340336 [0,2,0,0,0,0|2,0,0]=4 4371 B8R0.19 NNC(=O)C\C(N)=N\O Amb2779402 [0,2,0,0,0,0|2,0,0]=4 4372 B8R0.19 N\C(CC(=O)NO)=N/O Amb26021862 [0,2,0,0,0,0|1,0,1]=4 4373 B8R0.19 O=C(CC(=O)NO)N[O-] Amb2724179 [0,2,0,0,0,0|1,0,0]=3 4374 B8R0.19 O=C(CCl)CC(=O)CCl Amb25738744 [0,2,0,0,0,0|1,0,0]=3 4375 B8R0.19 O=C(CCl)OC(=O)CCl Amb8386065 [0,2,0,0,0,0|2,0,0]=4 4376 B8R0.19 O=C(CF)OC(=O)CF Amb25324724 [0,2,0,0,0,0|2,0,0]=4 4377 B8R0.19 O=C(CO)CC(O)CO Amb26067178 [0,2,0,0,0,0|0,0,2]=4 4378 B8R0.19 O=C(CO)OC(=O)CO Amb27835164 [0,2,0,0,0,0|1,0,0]=3 4379 B8R0.19 O=C(\C=C(/O)CCl)CCl Amb27843352 [0,2,0,0,0,0|1,0,1]=4 4380 B8R0.19 O=CC(O)CC(=O)CO Amb28144194 [0,2,0,0,0,0|0,0,1]=3 4381 B8R0.19 O=C[C@H](O)CC(=O)CO Amb28121885 [0,2,0,0,0,0|0,0,1]=3 4382 B8R0.19 [C-]#[N+]C(C)CC(=O)OC Amb2688934 [0,2,0,0,0,0|1,0,1]=4 4383 B8R0.24 C=CC(=O)CS(C)(=O)=O Amb25078708 [0,2,0,0,0,0|2,0,0]=4 4384 B8R0.24 CC(C)(C)CC(=O)NO Amb6277873 [0,2,0,0,0,0|1,0,1]=4 4385 B8R0.24 CC(C)(N)CC(=O)NO Amb28250587 [0,2,0,0,0,0|1,0,1]=4 4386 B8R0.24 CCC(=O)CS(=O)(=O)Cl Amb27969564 [0,2,0,0,0,0|1,0,1]=4 4387 B8R0.24 CCC(=O)CS(=O)(=O)O Amb27762508 [0,2,0,0,0,0|1,0,0]=3 4388 B8R0.24 CNC(=O)CS(=O)(=O)Cl Amb28436261 [0,2,0,0,0,0|1,0,1]=4 4389 B8R0.24 CNC(=O)CS(C)(=O)=O Amb22496966 [0,2,0,0,0,0|1,0,1]=4 4390 B8R0.24 COC(=N)CS(C)(=O)=O Amb29847970 [0,2,0,0,0,0|2,0,0]=4 4391 B8R0.24 COC(=O)CC(C)(C)Br Amb24098356 [0,2,0,0,0,0|1,0,1]=4 4392 B8R0.24 COC(=O)CC(C)(C)C Amb4034785 [0,2,0,0,0,0|1,0,1]=4 4393 B8R0.24 COC(=O)CC(C)(C)N Amb19335287 [0,2,0,0,0,0|1,0,1]=4 4394 B8R0.24 COC(=O)CC(C)(C)N Amb23402030 [0,2,0,0,0,0|1,0,1]=4 4395 B8R0.24 COC(=O)CC(C)(C)O Amb25988158 [0,2,0,0,0,0|0,0,2]=4 4396 B8R0.24 COC(=O)CC(C)(C)S Amb30022354 [0,2,0,0,0,0|0,1,1]=4 4397 B8R0.24 COC(=O)CC(C)(F)F Amb27817112 [0,2,0,0,0,0|1,0,1]=4 4398 B8R0.24 COC(=O)CS(=O)(=O)Br Amb27268364 [0,2,0,0,0,0|1,0,1]=4 4399 B8R0.24 COC(=O)CS(=O)(=O)Cl Amb6892446 [0,2,0,0,0,0|1,0,1]=4 4400 B8R0.24 COC(=O)CS(=O)(=O)F Amb10610390 [0,2,0,0,0,0|1,0,1]=4 4401 B8R0.24 COC(=O)CS(=O)(=O)O Amb34915855 [0,2,0,0,0,0|1,0,0]=3 4402 B8R0.24 COC(=O)CS(=O)(=O)[O-] Amb22523435 [0,2,0,0,0,0|1,0,1]=4 4403 B8R0.24 COC(=O)CS(C)(=O)=O Amb2422866 [0,2,0,0,0,0|1,0,0]=3 4404 B8R0.24 COC(=O)CS(N)(=O)=O Amb18177933 [0,2,0,0,0,0|1,0,1]=4 4405 B8R0.24 CS(=O)(=O)CC(=O)CBr Amb27799952 [0,2,0,0,0,0|1,0,1]=4 4406 B8R0.24 CS(=O)(=O)CC(=O)CCl Amb28059968 [0,2,0,0,0,0|1,0,1]=4 4407 B8R0.24 CS(=O)(=O)CC(=O)CN Amb26597041 [0,2,0,0,0,0|1,0,1]=4 4408 B8R0.24 CS(=O)(=O)CC(=O)NN Amb24086647 [0,2,0,0,0,0|2,0,0]=4 4409 B8R0.24 CS(=O)(=O)C\C(N)=N\O Amb3427766 [0,2,0,0,0,0|2,0,0]=4 4410 B8R0.24 CS(C)(=O)=NC(=O)CO Amb32664979 [0,2,0,0,0,0|2,0,0]=4 4411 B8R0.24 C\C(CS(C)(=O)=O)=N/O Amb17625543 [0,2,0,0,0,0|2,0,0]=4 4412 B8R0.24 C\C(CS(C)(=O)=O)=N\O Amb22411286 [0,2,0,0,0,0|2,0,0]=4 4413 B8R0.24 NCC(=O)CP(=O)(O)O Amb28141900 [0,2,0,0,0,0|1,0,0]=3 4414 B8R0.24 NCC(=O)NP(=O)(O)O Amb27876829 [0,2,0,0,0,0|2,0,0]=4 4415 B8R0.24 NCC(=O)OP(=O)(O)O Amb27781513 [0,2,0,0,0,0|2,0,0]=4 4416 B8R0.24 NNC(=O)CP(=O)(O)O Amb27630071 [0,2,0,0,0,0|2,0,0]=4 4417 B8R0.24 NS(=O)(=O)CC(=O)CCl Amb28400038 [0,2,0,0,0,0|1,0,1]=4 4418 B8R0.24 O=C(CBr)OS(=O)(=O)O Amb27787731 [0,2,0,0,0,0|2,0,0]=4 4419 B8R0.24 O=C(CCl)OP(=O)(O)O Amb27848869 [0,2,0,0,0,0|2,0,0]=4 4420 B8R0.24 O=C(CP(=O)(O)O)NO Amb24532814 [0,2,0,0,0,0|2,0,0]=4 4421 B8R0.34 C#CC(C)(O)CC(C)=O Amb27661825 [0,2,0,0,0,0|1,0,1]=4 4422 B8R0.34 C=CC(C)(C)CC(=O)O Amb5718701 [0,2,0,0,0,0|1,0,1]=4 4423 B8R0.34 C=CC(C)(N)CC(=O)O Amb22641965 [0,2,0,0,0,0|1,0,1]=4 4424 B8R0.34 C=CC(C)(N)CC(=O)O Amb31307623 [0,2,0,0,0,0|1,0,1]=4 4425 B8R0.34 C=CC(C)(O)CC(=O)O Amb18642755 [0,2,0,0,0,0|0,0,2]=4 4426 B8R0.34 C=CS(=O)(=O)CC(=O)O Amb25065243 [0,2,0,0,0,0|1,0,1]=4 4427 B8R0.34 C=C[Si](C)(C)CC(=O)O Amb28255729 [0,2,0,0,0,0|1,1,0]=4 4428 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [0,2,0,0,0,0|1,0,1]=4 4429 B8R0.34 CC(=O)CC(C)(C)CO Amb24689736 [0,2,0,0,0,0|1,0,1]=4 4430 B8R0.34 CC(=O)CC(C)(C)N=O Amb17593358 [0,2,0,0,0,0|1,0,1]=4 4431 B8R0.34 CC(C)(C#N)CC(=O)O Amb25887307 [0,2,0,0,0,0|1,0,1]=4 4432 B8R0.34 CC(C)(C=O)CC(=O)O Amb28401504 [0,2,0,0,0,0|0,0,1]=3 4433 B8R0.34 CC(C)(CBr)CC(=O)O Amb24480039 [0,2,0,0,0,0|1,0,1]=4 4434 B8R0.34 CC(C)(CC(=O)O)NO Amb27859691 [0,2,0,0,0,0|0,0,2]=4 4435 B8R0.34 CC(C)(CF)CC(=O)O Amb26575195 [0,2,0,0,0,0|1,0,1]=4 4436 B8R0.34 CC(C)(CI)CC(=O)O Amb33295131 [0,2,0,0,0,0|1,0,1]=4 4437 B8R0.34 CC(C)(CN)CC(=O)O Amb4245619 [0,2,0,0,0,0|1,0,1]=4 4438 B8R0.34 CC(C)(CN)CC(=O)O Amb578353 [0,2,0,0,0,0|1,0,1]=4 4439 B8R0.34 CC(C)(CO)CC(=O)O Amb24116870 [0,2,0,0,0,0|0,0,2]=4 4440 B8R0.34 CC(N)(CCl)CC(=O)O Amb22641961 [0,2,0,0,0,0|1,0,1]=4 4441 B8R0.34 CC(N)(CN)CC(=O)O Amb32787831 [0,2,0,0,0,0|1,0,1]=4 4442 B8R0.34 CC(N)(CO)CC(=O)O Amb27162086 [0,2,0,0,0,0|0,0,2]=4 4443 B8R0.34 CC(O)(CCl)CC(=O)O Amb27409236 [0,2,0,0,0,0|0,0,2]=4 4444 B8R0.34 CC(O)(CN)CC(=O)O Amb25188898 [0,2,0,0,0,0|0,0,2]=4 4445 B8R0.34 CC(O)(CN)CC(=O)O Amb28935004 [0,2,0,0,0,0|0,0,2]=4 4446 B8R0.34 CCC(C)(C)CC(=O)O Amb10573669 [0,2,0,0,0,0|1,0,1]=4 4447 B8R0.34 CCC(C)(F)CC(=O)O Amb27645740 [0,2,0,0,0,0|1,0,1]=4 4448 B8R0.34 CCC(C)(N)CC(=O)O Amb25853863 [0,2,0,0,0,0|1,0,1]=4 4449 B8R0.34 CCC(C)(O)CC(=O)O Amb18298122 [0,2,0,0,0,0|0,0,2]=4 4450 B8R0.34 CCC(F)(F)CC(=O)O Amb32666992 [0,2,0,0,0,0|1,0,1]=4 4451 B8R0.34 CCS(=O)(=O)CC(=O)O Amb6277554 [0,2,0,0,0,0|1,0,0]=3 4452 B8R0.34 CCS(=O)(=O)CC(C)=O Amb19515195 [0,2,0,0,0,0|1,0,1]=4 4453 B8R0.34 CCS(=O)(=O)CC(N)=O Amb28325613 [0,2,0,0,0,0|2,0,0]=4 4454 B8R0.34 CC[C@@](C)(N)CC(=O)O Amb25738026 [0,2,0,0,0,0|1,0,1]=4 4455 B8R0.34 CC[Si](C)(C)CC(=O)O Amb28145155 [0,2,0,0,0,0|1,1,0]=4 4456 B8R0.34 CNS(=O)(=O)CC(=O)O Amb6741780 [0,2,0,0,0,0|1,0,0]=3 4457 B8R0.34 CNS(=O)(=O)CC(C)=O Amb26447215 [0,2,0,0,0,0|1,0,1]=4 4458 B8R0.34 CNS(=O)(=O)CC(N)=O Amb27446594 [0,2,0,0,0,0|2,0,0]=4 4459 B8R0.34 COC(C)(C)CC(=O)O Amb25887304 [0,2,0,0,0,0|0,0,2]=4 4460 B8R0.34 COC(C)(C)CC(C)=O Amb6893067 [0,2,0,0,0,0|1,0,1]=4 4461 B8R0.34 COC(C)(O)CC(C)=O Amb25873980 [0,2,0,0,0,0|0,0,2]=4 4462 B8R0.34 C[Si](C)(CCl)CC(=O)O Amb25107199 [0,2,0,0,0,0|1,1,0]=4 4463 B8R0.34 NCC(F)(F)CC(=O)O Amb19148532 [0,2,0,0,0,0|1,0,1]=4 4464 B8R0.34 NCC(F)(F)CC(=O)O Amb32693401 [0,2,0,0,0,0|1,0,1]=4 4465 B8R0.34 O=C(O)CC(F)(F)CBr Amb27592325 [0,2,0,0,0,0|1,0,1]=4 4466 B8R0.34 O=C(O)CC(F)(F)CCl Amb33741692 [0,2,0,0,0,0|1,0,1]=4 4467 B8R0.34 O=C(O)CC(F)(F)CF Amb33402041 [0,2,0,0,0,0|1,0,1]=4 4468 B8R0.34 O=C(O)CS(=O)(=O)NO Amb27201481 [0,2,0,0,0,0|2,0,0]=4 4469 B8R0.27 CC(=O)C(C)S(=O)(=O)O Amb28253583 [0,2,0,0,0,0|1,0,0]=3 4470 B8R0.27 CC(=O)C(C)S(C)(=O)=O Amb18181047 [0,2,0,0,0,0|1,0,1]=4 4471 B8R0.27 CC(=O)C(Cl)C(C)(C)O Amb25933618 [0,2,0,0,0,0|1,0,1]=4 4472 B8R0.27 CC(=O)C(N)P(=O)(O)O Amb27835752 [0,2,0,0,0,0|1,0,0]=3 4473 B8R0.27 CC(=O)C(O)C(C)(C)O Amb17593385 [0,2,0,0,0,0|1,0,1]=4 4474 B8R0.27 CC(C(=O)O)C(C)(C)C Amb4477144 [0,2,0,0,0,0|1,0,1]=4 4475 B8R0.27 CC(C(=O)O)C(C)(C)F Amb10843986 [0,2,0,0,0,0|1,0,1]=4 4476 B8R0.27 CC(C(=O)O)C(C)(C)N Amb24459511 [0,2,0,0,0,0|1,0,1]=4 4477 B8R0.27 CC(C(=O)O)C(C)(C)O Amb10844263 [0,2,0,0,0,0|0,0,2]=4 4478 B8R0.27 CC(C(=O)O)C(C)(F)F Amb27626900 [0,2,0,0,0,0|1,0,1]=4 4479 B8R0.27 CC(C(=O)O)P(=O)(O)O Amb9814224 [0,2,0,0,0,0|2,0,0]=4 4480 B8R0.27 CC(C(=O)O)S(=O)(=O)Cl Amb18957684 [0,2,0,0,0,0|2,0,0]=4 4481 B8R0.27 CC(C(=O)O)S(=O)(=O)O Amb25765487 [0,2,0,0,0,0|2,0,0]=4 4482 B8R0.27 CC(C(=O)O)S(C)(=O)=O Amb6260939 [0,2,0,0,0,0|1,0,0]=3 4483 B8R0.27 CC(C(=O)O)S(N)(=O)=O Amb18281052 [0,2,0,0,0,0|2,0,0]=4 4484 B8R0.27 CC(C(=O)O)[Si](C)(C)C Amb27945584 [0,2,0,0,0,0|1,1,0]=4 4485 B8R0.27 CC(C)(Br)C(Br)C(=O)O Amb16192461 [0,2,0,0,0,0|1,0,1]=4 4486 B8R0.27 CC(C)(C)C(Br)C(=O)O Amb18127181 [0,2,0,0,0,0|1,0,1]=4 4487 B8R0.27 CC(C)(C)C(F)C(=O)O Amb28285305 [0,2,0,0,0,0|1,0,1]=4 4488 B8R0.27 CC(C)(C)C(N)C(=O)O Amb493874 [0,2,0,0,0,0|1,0,1]=4 4489 B8R0.27 CC(C)(C)C(N)C(=O)O Amb9747344 [0,2,0,0,0,0|1,0,1]=4 4490 B8R0.27 CC(C)(C)C(O)C(=O)O Amb19299856 [0,2,0,0,0,0|1,0,1]=4 4491 B8R0.27 CC(C)(C)C(S)C(=O)O Amb27880919 [0,2,0,0,0,0|1,0,1]=4 4492 B8R0.27 CC(C)(C)[C@@H](Br)C(=O)O Amb22746895 [0,2,0,0,0,0|1,0,1]=4 4493 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O Amb22744938 [0,2,0,0,0,0|1,0,1]=4 4494 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O Amb8513330 [0,2,0,0,0,0|1,0,1]=4 4495 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O Amb22225174 [0,2,0,0,0,0|1,0,1]=4 4496 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O Amb22226488 [0,2,0,0,0,0|1,0,1]=4 4497 B8R0.27 CC(C)(C)[C@H](Cl)C(=O)O Amb3429554 [0,2,0,0,0,0|1,0,1]=4 4498 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Amb2720519 [0,2,0,0,0,0|1,0,1]=4 4499 B8R0.27 CC(C)(C)[C@H](O)C(=O)O Amb10603129 [0,2,0,0,0,0|1,0,1]=4 4500 B8R0.27 CC(C)(Cl)C(Cl)C(=O)O Amb18126746 [0,2,0,0,0,0|1,0,1]=4 4501 B8R0.27 CC(C)(Cl)C(O)C(=O)O Amb27232684 [0,2,0,0,0,0|1,0,1]=4 4502 B8R0.27 CC(C)(F)C(Br)C(=O)O Amb10605635 [0,2,0,0,0,0|1,0,1]=4 4503 B8R0.27 CC(C)(F)C(N)C(=O)O Amb2695553 [0,2,0,0,0,0|1,0,1]=4 4504 B8R0.27 CC(C)(F)C(O)C(=O)O Amb25868881 [0,2,0,0,0,0|1,0,1]=4 4505 B8R0.27 CC(C)(F)[C@@H](N)C(=O)O Amb27599060 [0,2,0,0,0,0|1,0,1]=4 4506 B8R0.27 CC(C)(F)[C@@H](N)C(=O)O Amb30666687 [0,2,0,0,0,0|1,0,1]=4 4507 B8R0.27 CC(C)(F)[C@@H](O)C(=O)O Amb27660747 [0,2,0,0,0,0|1,0,1]=4 4508 B8R0.27 CC(C)(F)[C@H](N)C(=O)O Amb24369670 [0,2,0,0,0,0|1,0,1]=4 4509 B8R0.27 CC(C)(N)C(F)C(=O)O Amb33036292 [0,2,0,0,0,0|1,0,1]=4 4510 B8R0.27 CC(C)(N)C(O)C(=O)O Amb25075483 [0,2,0,0,0,0|1,0,1]=4 4511 B8R0.27 CC(C)(O)C(Br)C(=O)O Amb17595209 [0,2,0,0,0,0|0,0,2]=4 4512 B8R0.27 CC(C)(O)C(F)C(=O)O Amb32664861 [0,2,0,0,0,0|0,0,2]=4 4513 B8R0.27 CC(C)(O)C(N)C(=O)O Amb18642914 [0,2,0,0,0,0|0,0,2]=4 4514 B8R0.27 CC(C)(O)C(O)C(=O)O Amb25118477 [0,2,0,0,0,0|0,0,2]=4 4515 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Amb8389457 [0,2,0,0,0,0|0,0,2]=4 4516 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Amb27974877 [0,2,0,0,0,0|0,0,2]=4 4517 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb33872154 [0,2,0,0,0,0|0,0,2]=4 4518 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Amb8397144 [0,2,0,0,0,0|0,0,2]=4 4519 B8R0.27 CC(C)(O)[C@H](O)C(=O)O Amb27469612 [0,2,0,0,0,0|0,0,2]=4 4520 B8R0.27 CC(C)(S)C(N)C(=O)O Amb4006839 [0,2,0,0,0,0|0,1,1]=4 4521 B8R0.27 CC(C)(S)C(N)C(=O)O Amb9703216 [0,2,0,0,0,0|0,1,1]=4 4522 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Amb28524814 [0,2,0,0,0,0|0,1,1]=4 4523 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Amb533607 [0,2,0,0,0,0|0,1,1]=4 4524 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Amb2709386 [0,2,0,0,0,0|0,1,1]=4 4525 B8R0.27 CC(F)(F)C(F)C(=O)O Amb32675224 [0,2,0,0,0,0|1,0,1]=4 4526 B8R0.27 CC(F)(F)C(N)C(=O)O Amb26413853 [0,2,0,0,0,0|1,0,1]=4 4527 B8R0.27 CC(F)(F)C(O)C(=O)O Amb32809793 [0,2,0,0,0,0|1,0,1]=4 4528 B8R0.27 CP(C)(=O)C(O)C(=O)O Amb22231894 [0,2,0,0,0,0|1,0,0]=3 4529 B8R0.27 C[C@@H](C(=O)O)C(C)(C)C Amb10844023 [0,2,0,0,0,0|1,0,1]=4 4530 B8R0.27 C[C@@H](C(=O)O)C(C)(C)Cl Amb28399702 [0,2,0,0,0,0|1,0,1]=4 4531 B8R0.27 C[C@@H](C(=O)O)C(C)(C)O Amb10844262 [0,2,0,0,0,0|0,0,2]=4 4532 B8R0.27 C[C@@H](C(=O)O)C(C)(F)F Amb33728209 [0,2,0,0,0,0|1,0,1]=4 4533 B8R0.27 C[C@@H](C(=O)O)S(C)(=O)=O Amb27776748 [0,2,0,0,0,0|1,0,0]=3 4534 B8R0.27 C[C@H](C(=O)O)C(C)(C)C Amb10844034 [0,2,0,0,0,0|1,0,1]=4 4535 B8R0.27 C[C@H](C(=O)O)C(C)(F)F Amb33749542 [0,2,0,0,0,0|1,0,1]=4 4536 B8R0.27 C[C@H](C(=O)O)S(=O)(=O)O Amb28385771 [0,2,0,0,0,0|2,0,0]=4 4537 B8R0.27 O=C(Cl)C(Cl)S(=O)(=O)O Amb28383563 [0,2,0,0,0,0|2,0,0]=4 4538 B8R0.27 O=C(O)C(O)P(=O)(O)O Amb24117287 [0,2,0,0,0,0|2,0,0]=4 4539 B8R0.33 CS(=O)(=O)CS(=O)(=O)O Amb33986189 [0,2,0,0,0,0|2,0,0]=4 4540 B8R0.18 C#CC(C(=O)O)C(=O)O Amb27493331 [0,2,0,0,0,0|1,0,0]=3 4541 B8R0.18 C=C(C)C(CC)C(=O)O Amb18642606 [0,2,0,0,0,0|1,0,0]=3 4542 B8R0.18 C=C(C)C(CN)C(=O)O Amb33199955 [0,2,0,0,0,0|1,0,0]=3 4543 B8R0.18 C=C(C)C(OC)C(=O)O Amb27219440 [0,2,0,0,0,0|1,0,0]=3 4544 B8R0.18 C=CC(C(=O)O)=C(C)C Amb27170334 [0,2,0,0,0,0|1,0,1]=4 4545 B8R0.18 C=CC(C(=O)O)C(=O)O Amb27655691 [0,2,0,0,0,0|1,0,0]=3 4546 B8R0.18 C=CC(C(=O)O)N(C)C Amb27757609 [0,2,0,0,0,0|2,0,0]=4 4547 B8R0.18 C=CC(C(C)=O)C(C)=O Amb28132041 [0,2,0,0,0,0|1,0,0]=3 4548 B8R0.18 C=NC(C(=O)O)C(C)C Amb27409212 [0,2,0,0,0,0|1,0,1]=4 4549 B8R0.18 CC(=O)C(=CN)C(C)=O Amb2386494 [0,2,0,0,0,0|1,0,1]=4 4550 B8R0.18 CC(=O)C(=NN)C(C)=O Amb27257056 [0,2,0,0,0,0|1,0,1]=4 4551 B8R0.18 CC(=O)C(=NO)C(C)=O Amb1145803 [0,2,0,0,0,0|1,0,1]=4 4552 B8R0.18 CC(=O)C(C#N)C(N)=O Amb25265556 [0,2,0,0,0,0|1,0,0]=3 4553 B8R0.18 CC(=O)C(C#N)C(N)=S Amb3428828 [0,2,0,0,0,0|1,1,0]=4 4554 B8R0.18 CC(=O)C(C=O)C(C)=O Amb27234408 [0,2,0,0,0,0|1,0,0]=3 4555 B8R0.18 CC(=O)C(C=O)[N+](=O)[O-] Amb27851008 [0,2,0,0,0,0|1,0,1]=4 4556 B8R0.18 CC(=O)C(CN)C(C)=O Amb28411438 [0,2,0,0,0,0|1,0,0]=3 4557 B8R0.18 CC(=O)\C(=C\N)C(N)=O Amb28072959 [0,2,0,0,0,0|1,0,1]=4 4558 B8R0.18 CC(=O)\C(=N\N)C(N)=O Amb27662582 [0,2,0,0,0,0|1,0,1]=4 4559 B8R0.18 CC(=O)\C(=N\O)C(N)=O Amb27484394 [0,2,0,0,0,0|1,0,1]=4 4560 B8R0.18 CC(=O)\C(C#N)=C(/C)O Amb28194592 [0,2,0,0,0,0|1,0,1]=4 4561 B8R0.18 CC(=O)\C(C=N)=C(/C)O Amb27838703 [0,2,0,0,0,0|1,0,1]=4 4562 B8R0.18 CC(C)=C(C#N)C(=O)O Amb3986874 [0,2,0,0,0,0|1,0,1]=4 4563 B8R0.18 CC(C)=C(CN)C(=O)O Amb28368080 [0,2,0,0,0,0|1,0,1]=4 4564 B8R0.18 CC(C)C(C#N)C(=O)O Amb10066977 [0,2,0,0,0,0|1,0,1]=4 4565 B8R0.18 CC(C)C(CF)C(=O)O Amb26965957 [0,2,0,0,0,0|1,0,1]=4 4566 B8R0.18 CC(C)C(CN)C(=O)O Amb18987935 [0,2,0,0,0,0|1,0,1]=4 4567 B8R0.18 CC(C)C(CN)C(=O)O Amb19375052 [0,2,0,0,0,0|1,0,1]=4 4568 B8R0.18 CC(C)C(CO)C(=O)O Amb24116921 [0,2,0,0,0,0|1,0,1]=4 4569 B8R0.18 CC(C)C(CS)C(=O)O Amb17593703 [0,2,0,0,0,0|1,0,1]=4 4570 B8R0.18 CC(C)C(NN)C(=O)O Amb18642886 [0,2,0,0,0,0|1,0,1]=4 4571 B8R0.18 CC(C)C(NO)C(=O)O Amb28429830 [0,2,0,0,0,0|1,0,1]=4 4572 B8R0.18 CC(C)C(ON)C(=O)O Amb24477865 [0,2,0,0,0,0|1,0,1]=4 4573 B8R0.18 CC(C)C(ON)C(=O)O Amb32652494 [0,2,0,0,0,0|1,0,1]=4 4574 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756745 [0,2,0,0,0,0|1,0,1]=4 4575 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756747 [0,2,0,0,0,0|1,0,1]=4 4576 B8R0.18 CC(C)[C@@H](NN)C(=O)O Amb27468667 [0,2,0,0,0,0|1,0,1]=4 4577 B8R0.18 CC(C)[C@@H](ON)C(=O)O Amb24117143 [0,2,0,0,0,0|1,0,1]=4 4578 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb25283442 [0,2,0,0,0,0|1,0,1]=4 4579 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb32620230 [0,2,0,0,0,0|1,0,1]=4 4580 B8R0.18 CC(C)[C@H](CO)C(=O)O Amb27249807 [0,2,0,0,0,0|1,0,1]=4 4581 B8R0.18 CC(C)[C@H](NN)C(=O)O Amb27946435 [0,2,0,0,0,0|1,0,1]=4 4582 B8R0.18 CC(C)[C@H](NO)C(=O)O Amb27859675 [0,2,0,0,0,0|1,0,1]=4 4583 B8R0.18 CC(O)C(NN)C(=O)O Amb18642940 [0,2,0,0,0,0|0,0,2]=4 4584 B8R0.18 CC=C(C(=O)O)C(=O)O Amb27439270 [0,2,0,0,0,0|1,0,1]=4 4585 B8R0.18 CCC(C(=O)Cl)C(=O)Cl Amb17942975 [0,2,0,0,0,0|2,0,0]=4 4586 B8R0.18 CCC(C(=O)O)C(=O)O Amb6297197 [0,2,0,0,0,0|1,0,0]=3 4587 B8R0.18 CCC(C(=O)O)C(C)C Amb18972345 [0,2,0,0,0,0|1,0,1]=4 4588 B8R0.18 CCC(C(=O)O)C(C)O Amb18990651 [0,2,0,0,0,0|0,0,2]=4 4589 B8R0.18 CCC(C(=O)O)N(C)C Amb33551144 [0,2,0,0,0,0|2,0,0]=4 4590 B8R0.18 CCC(C(=O)O)N(C)C Amb8455277 [0,2,0,0,0,0|2,0,0]=4 4591 B8R0.18 CCC(C(=O)O)N(C)N Amb25145584 [0,2,0,0,0,0|2,0,0]=4 4592 B8R0.18 CCC(C(=O)O)S(C)=O Amb18290930 [0,2,0,0,0,0|1,0,0]=3 4593 B8R0.18 CCC(C(C)=O)C(C)=O Amb2371444 [0,2,0,0,0,0|1,0,0]=3 4594 B8R0.18 CCC(C(N)=O)C(=O)O Amb28410332 [0,2,0,0,0,0|1,0,0]=3 4595 B8R0.18 CCC(C(N)=O)C(N)=O Amb25848912 [0,2,0,0,0,0|2,0,0]=4 4596 B8R0.18 CC[C@@H](C(=O)O)N(C)C Amb25823446 [0,2,0,0,0,0|2,0,0]=4 4597 B8R0.18 CC[C@@H](C(=O)O)[C@@H](C)O Amb28410568 [0,2,0,0,0,0|0,0,2]=4 4598 B8R0.18 CC[C@@H](C(C)=O)[C@H](C)O Amb27164629 [0,2,0,0,0,0|1,0,1]=4 4599 B8R0.18 CC[C@H](C(=O)O)N(C)C Amb32668789 [0,2,0,0,0,0|2,0,0]=4 4600 B8R0.18 CC[C@H](C(=O)O)[C@H](C)O Amb27655638 [0,2,0,0,0,0|0,0,2]=4 4601 B8R0.18 CN(C)C(CN)C(=O)O Amb26350112 [0,2,0,0,0,0|2,0,0]=4 4602 B8R0.18 CN(C)C(CO)C(=O)O Amb24407402 [0,2,0,0,0,0|2,0,0]=4 4603 B8R0.18 CN(C)[C@@H](CO)C(=O)O Amb27397686 [0,2,0,0,0,0|2,0,0]=4 4604 B8R0.18 CNC(C(=O)O)C(C)C Amb21961623 [0,2,0,0,0,0|1,0,1]=4 4605 B8R0.18 CNC(C(=O)O)C(C)C Amb4035989 [0,2,0,0,0,0|1,0,1]=4 4606 B8R0.18 CNC(C(=O)O)C(C)F Amb27596009 [0,2,0,0,0,0|1,0,1]=4 4607 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22231334 [0,2,0,0,0,0|1,0,1]=4 4608 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22749002 [0,2,0,0,0,0|1,0,1]=4 4609 B8R0.18 CN[C@@H](C(=O)O)C(C)O Amb22800385 [0,2,0,0,0,0|0,0,2]=4 4610 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb16183861 [0,2,0,0,0,0|1,0,1]=4 4611 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb33812559 [0,2,0,0,0,0|1,0,1]=4 4612 B8R0.18 CN[C@H](C(=O)O)C(C)O Amb27446656 [0,2,0,0,0,0|0,0,2]=4 4613 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Amb25887203 [0,2,0,0,0,0|0,0,2]=4 4614 B8R0.18 COC(C(=O)O)C(=O)O Amb27396318 [0,2,0,0,0,0|1,0,0]=3 4615 B8R0.18 COC(C(=O)O)C(C)C Amb33532796 [0,2,0,0,0,0|1,0,1]=4 4616 B8R0.18 COC(C(=O)O)C(C)O Amb26003623 [0,2,0,0,0,0|0,0,2]=4 4617 B8R0.18 COC(C(C)=O)C(C)=O Amb25913550 [0,2,0,0,0,0|1,0,0]=3 4618 B8R0.18 CON(C(C)=O)C(C)=O Amb22231327 [0,2,0,0,0,0|2,0,0]=4 4619 B8R0.18 CO[C@H](C(=O)O)C(C)C Amb27966715 [0,2,0,0,0,0|1,0,1]=4 4620 B8R0.18 CSC(C(=O)O)C(=O)O Amb27407760 [0,2,0,0,0,0|1,0,0]=3 4621 B8R0.18 CSC(C(=O)O)C(C)C Amb17503902 [0,2,0,0,0,0|1,0,1]=4 4622 B8R0.18 C\C(N)=C(\C#N)C(=O)O Amb13951423 [0,2,0,0,0,0|1,0,1]=4 4623 B8R0.18 C\C(O)=C(\C#N)C(=O)O Amb27444896 [0,2,0,0,0,0|0,0,2]=4 4624 B8R0.18 N#CC(C(N)=O)C(=O)O Amb28121468 [0,2,0,0,0,0|1,0,0]=3 4625 B8R0.18 NC=C(C(=O)O)C(=O)O Amb27236633 [0,2,0,0,0,0|1,0,1]=4 4626 B8R0.18 NCC(C(=O)O)C(=O)O Amb27408219 [0,2,0,0,0,0|1,0,0]=3 4627 B8R0.18 O=C(O)C(=CBr)C(=O)O Amb9825194 [0,2,0,0,0,0|1,0,1]=4 4628 B8R0.18 O=C(O)C(CO)C(=O)O Amb27849072 [0,2,0,0,0,0|1,0,0]=3 4629 B8R0.18 [C-]#[N+]C(C(=O)O)C(C)C Amb27945578 [0,2,0,0,0,0|1,0,1]=4 4630 B8R0.37 C=C(Br)C(C)(C)C(=O)O Amb17595054 [0,2,0,0,0,0|1,0,1]=4 4631 B8R0.37 C=C(C)C(C)(C)C(=O)O Amb15701602 [0,2,0,0,0,0|1,0,0]=3 4632 B8R0.37 C=C(Cl)C(C)(C)C(=O)O Amb17613253 [0,2,0,0,0,0|1,0,1]=4 4633 B8R0.37 CC(=O)C(C)(C)C(=O)O Amb18642784 [0,2,0,0,0,0|0,0,0]=2 4634 B8R0.37 CC(=O)C(C)(C)C(C)=O Amb17593343 [0,2,0,0,0,0|1,0,0]=3 4635 B8R0.37 CC(=O)C(C)(C)C(N)=O Amb28143775 [0,2,0,0,0,0|1,0,0]=3 4636 B8R0.37 CC(=O)C(C)(C)S(=O)Cl Amb27212428 [0,2,0,0,0,0|2,0,0]=4 4637 B8R0.37 CC(=O)C(C)(C)[N+](=O)[O-] Amb25060217 [0,2,0,0,0,0|1,0,1]=4 4638 B8R0.37 CC(=O)C(C)(Cl)C(C)=O Amb27227021 [0,2,0,0,0,0|1,0,0]=3 4639 B8R0.37 CC(=O)C(C)(F)C(C)=O Amb27607073 [0,2,0,0,0,0|1,0,0]=3 4640 B8R0.37 CC(=O)C(C)(O)C(=O)Cl Amb27227227 [0,2,0,0,0,0|1,0,0]=3 4641 B8R0.37 CC(=O)C(C)(O)C(=O)O Amb18642870 [0,2,0,0,0,0|0,0,0]=2 4642 B8R0.37 CC(=O)C(C)(O)C(C)O Amb28246397 [0,2,0,0,0,0|1,0,1]=4 4643 B8R0.37 CC(=O)C(Cl)(Cl)C(C)=O Amb25857557 [0,2,0,0,0,0|1,0,0]=3 4644 B8R0.37 CC(=O)C(Cl)(Cl)C(N)=O Amb27628572 [0,2,0,0,0,0|1,0,0]=3 4645 B8R0.37 CC(=O)C(F)(Cl)[N+](=O)[O-] Amb27590297 [0,2,0,0,0,0|1,0,1]=4 4646 B8R0.37 CC(=O)C(F)(F)C(C)=O Amb8394329 [0,2,0,0,0,0|1,0,0]=3 4647 B8R0.37 CC(=O)[C@@](C)(O)[C@H](C)O Amb28321993 [0,2,0,0,0,0|1,0,1]=4 4648 B8R0.37 CC(Br)C(C)(Br)C(=O)O Amb2612513 [0,2,0,0,0,0|1,0,1]=4 4649 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl Amb22347922 [0,2,0,0,0,0|2,0,0]=4 4650 B8R0.37 CC(C)(C(=O)O)C(=O)Cl Amb17593749 [0,2,0,0,0,0|1,0,0]=3 4651 B8R0.37 CC(C)(C(=O)O)C(=O)O Amb2613653 [0,2,0,0,0,0|1,0,0]=3 4652 B8R0.37 CC(C)(C(=O)O)C(N)=S Amb17465757 [0,2,0,0,0,0|1,1,0]=4 4653 B8R0.37 CC(C)(C(N)=O)C(=O)O Amb8386802 [0,2,0,0,0,0|1,0,0]=3 4654 B8R0.37 CC(C)(C(N)=O)C(N)=O Amb24659379 [0,2,0,0,0,0|2,0,0]=4 4655 B8R0.37 CC(C)C(C)(C)C(=O)O Amb17593377 [0,2,0,0,0,0|1,0,1]=4 4656 B8R0.37 CC(C)C(C)(N)C(=O)O Amb4134845 [0,2,0,0,0,0|1,0,1]=4 4657 B8R0.37 CC(C)C(C)(O)C(=O)O Amb18286212 [0,2,0,0,0,0|1,0,1]=4 4658 B8R0.37 CC(C)C(F)(F)C(=O)O Amb26019477 [0,2,0,0,0,0|1,0,1]=4 4659 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Amb16183901 [0,2,0,0,0,0|1,0,1]=4 4660 B8R0.37 CC(C)[C@](C)(N)C(=O)O Amb10603127 [0,2,0,0,0,0|1,0,1]=4 4661 B8R0.37 CC(C)[C@](C)(O)C(=O)O Amb16231522 [0,2,0,0,0,0|1,0,1]=4 4662 B8R0.37 CC(Cl)C(C)(O)C(=O)O Amb27243989 [0,2,0,0,0,0|1,0,1]=4 4663 B8R0.37 CC(Cl)C(Cl)(Cl)C(=O)O Amb22168920 [0,2,0,0,0,0|1,0,1]=4 4664 B8R0.37 CC(F)(C(N)=O)C(N)=O Amb27473389 [0,2,0,0,0,0|2,0,0]=4 4665 B8R0.37 CC(F)C(F)(F)C(=O)O Amb26315929 [0,2,0,0,0,0|1,0,1]=4 4666 B8R0.37 CC(N)(C(=O)O)C(=O)O Amb28347069 [0,2,0,0,0,0|1,0,0]=3 4667 B8R0.37 CC(N)(C(N)=O)C(=O)O Amb27593792 [0,2,0,0,0,0|1,0,0]=3 4668 B8R0.37 CC(N)(C(N)=O)C(N)=O Amb28133691 [0,2,0,0,0,0|2,0,0]=4 4669 B8R0.37 CC(N)C(C)(C)C(=O)O Amb24681858 [0,2,0,0,0,0|1,0,1]=4 4670 B8R0.37 CC(N)C(F)(F)C(=O)O Amb25188946 [0,2,0,0,0,0|1,0,1]=4 4671 B8R0.37 CC(O)(C(N)=O)C(N)=O Amb28255865 [0,2,0,0,0,0|2,0,0]=4 4672 B8R0.37 CC(O)C(C)(C)C(=O)O Amb18961474 [0,2,0,0,0,0|0,0,2]=4 4673 B8R0.37 CC(O)C(C)(N)C(=O)O Amb2780038 [0,2,0,0,0,0|0,0,2]=4 4674 B8R0.37 CC(O)C(C)(N)C(=O)O Amb30585196 [0,2,0,0,0,0|0,0,2]=4 4675 B8R0.37 CC(O)C(C)(O)C(=O)O Amb18124401 [0,2,0,0,0,0|0,0,2]=4 4676 B8R0.37 CC(O)C(F)(F)C(=O)O Amb30623506 [0,2,0,0,0,0|0,0,2]=4 4677 B8R0.37 CN(C)C(C)(C)C(=O)O Amb33550826 [0,2,0,0,0,0|2,0,0]=4 4678 B8R0.37 CN(C)C(C)(C)C(=O)O Amb3976483 [0,2,0,0,0,0|2,0,0]=4 4679 B8R0.37 CN(Cl)C(C)(C)C(=O)O Amb28137981 [0,2,0,0,0,0|2,0,0]=4 4680 B8R0.37 C[C@@H](F)[C@@](C)(N)C(=O)O Amb26917123 [0,2,0,0,0,0|1,0,1]=4 4681 B8R0.37 C[C@@H](O)[C@@](C)(N)C(=O)O Amb26458741 [0,2,0,0,0,0|0,0,2]=4 4682 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O Amb27776914 [0,2,0,0,0,0|0,0,2]=4 4683 B8R0.37 C[C@H](N)C(F)(F)C(=O)O Amb28457233 [0,2,0,0,0,0|1,0,1]=4 4684 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O Amb22232016 [0,2,0,0,0,0|0,0,2]=4 4685 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O Amb26390846 [0,2,0,0,0,0|0,0,2]=4 4686 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O Amb27974163 [0,2,0,0,0,0|0,0,2]=4 4687 B8R0.37 NC(=O)C(Br)(Br)C(N)=O Amb4005117 [0,2,0,0,0,0|2,0,0]=4 4688 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb24385040 [0,2,0,0,0,0|1,0,0]=3 4689 B8R0.37 NC(=O)C(F)(F)C(=O)O Amb33496126 [0,2,0,0,0,0|1,0,0]=3 4690 B8R0.37 NC(=O)C(F)(F)C(=O)[O-] Amb33535531 [0,2,0,0,0,0|1,0,1]=4 4691 B8R0.37 NC(=O)C(F)(F)C(N)=O Amb10839344 [0,2,0,0,0,0|2,0,0]=4 4692 B8R0.37 O=C(O)C(Cl)(Cl)C(=O)O Amb17594338 [0,2,0,0,0,0|1,0,0]=3 4693 B8R0.37 O=C(O)C(F)(F)C(=O)O Amb24088375 [0,2,0,0,0,0|1,0,0]=3 4694 B8R0.37 O=C(O)C(F)(F)[N+](=O)[O-] Amb28051200 [0,2,0,0,0,0|2,0,0]=4 4695 B8R0.37 O=C(O)C(O)(Br)C(=O)O Amb27634888 [0,2,0,0,0,0|1,0,0]=3 4696 B8R0.37 O=C(O)C(O)(O)C(=O)O Amb22002022 [0,2,0,0,0,0|1,0,0]=3 4697 B6R1.2 C=C1CNOC1 Amb31156059 [1,0,0,1,0,0|2,0,0]=4 4698 B6R1.2 C=C1CNOC1 Amb33309622 [1,0,0,1,0,0|2,0,0]=4 4699 B6R1.2 CC1=CC=CC1 Amb26338978 [1,0,0,1,0,0|2,0,0]=4 4700 B6R1.2 Cc1ccoc1 Amb2447077 [1,0,0,1,0,0|1,0,1]=4 4701 B6R1.2 Cc1ccon1 Amb4005631 [1,0,0,1,0,0|1,0,1]=4 4702 B6R1.2 Cc1cocn1 Amb33544147 [1,0,0,1,0,0|2,0,0]=4 4703 B6R1.2 O=C1C=CCC1 Amb4019519 [1,0,0,1,0,0|1,0,1]=4 4704 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,1,0,0|1,0,1]=4 4705 B6R1.2 O=C1C=CCO1 Amb2792769 [1,0,0,1,0,0|0,0,1]=3 4706 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,1,0,0|0,1,1]=4 4707 B6R1.2 O=C1C=COC1 Amb24107591 [1,0,0,1,0,0|0,0,1]=3 4708 B6R1.2 O=C1C=NCO1 Amb25786221 [1,0,0,1,0,0|1,0,1]=4 4709 B6R1.2 O=C1CC=CC1 Amb2686649 [1,0,0,1,0,0|1,0,0]=3 4710 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,1,0,0|1,0,1]=4 4711 B6R1.2 O=C1CC=NN1 Amb3428206 [1,0,0,1,0,0|2,0,0]=4 4712 B6R1.2 O=C1CC=NO1 Amb27654112 [1,0,0,1,0,0|1,0,0]=3 4713 B6R1.2 O=C1CCCC1 Amb2793024 [1,0,0,1,0,0|1,0,1]=4 4714 B6R1.2 O=C1CCCN1 Amb22169686 [1,0,0,1,0,0|1,0,1]=4 4715 B6R1.2 O=C1CCCN1 Amb6608645 [1,0,0,1,0,0|1,0,1]=4 4716 B6R1.2 O=C1CCCO1 Amb3940401 [1,0,0,1,0,0|0,0,1]=3 4717 B6R1.2 O=C1CCCS1 Amb22338102 [1,0,0,1,0,0|0,1,1]=4 4718 B6R1.2 O=C1CCNC1 Amb2700623 [1,0,0,1,0,0|1,0,1]=4 4719 B6R1.2 O=C1CCNC1 Amb8386645 [1,0,0,1,0,0|1,0,1]=4 4720 B6R1.2 O=C1CCOC1 Amb7990143 [1,0,0,1,0,0|0,0,1]=3 4721 B6R1.2 O=C1CCON1 Amb22235009 [1,0,0,1,0,0|1,0,1]=4 4722 B6R1.2 O=C1CCSC1 Amb2720904 [1,0,0,1,0,0|0,1,1]=4 4723 B6R1.2 O=C1CN=CS1 Amb27963219 [1,0,0,1,0,0|2,0,0]=4 4724 B6R1.2 O=C1CNCN1 Amb19957368 [1,0,0,1,0,0|2,0,0]=4 4725 B6R1.2 O=C1CNCS1 Amb27443758 [1,0,0,1,0,0|1,1,0]=4 4726 B6R1.2 O=C1COCN1 Amb28132686 [1,0,0,1,0,0|1,0,1]=4 4727 B6R1.2 O=C1CSCN1 Amb28187121 [1,0,0,1,0,0|2,0,0]=4 4728 B6R1.2 O=C1CSSC1 Amb28351444 [1,0,0,1,0,0|1,1,0]=4 4729 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,1,0,0|1,0,1]=4 4730 B6R1.2 O=C1NCCO1 Amb6608807 [1,0,0,1,0,0|1,0,1]=4 4731 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,1,0,0|1,0,1]=4 4732 B6R1.2 O=C1OCCO1 Amb4057710 [1,0,0,1,0,0|1,0,1]=4 4733 B6R1.2 O=C1OCCS1 Amb27398683 [1,0,0,1,0,0|1,0,1]=4 4734 B6R1.2 O=[PH]1CC=CC1 Amb35747085 [1,0,0,1,0,0|2,0,0]=4 4735 B6R1.2 S=C1C=CCO1 Amb27971151 [1,0,0,1,0,0|0,1,1]=4 4736 B6R1.2 S=C1CCCO1 Amb27808589 [1,0,0,1,0,0|0,1,1]=4 4737 B6R1.2 S=C1COC=N1 Amb27636708 [1,0,0,1,0,0|1,1,0]=4 4738 B6R1.3 O=CC=C1CC1 Amb27758792 [1,0,0,1,0,0|1,0,1]=4 4739 B6R1.3 O=CCC1CC1 Amb21856083 [1,0,0,1,0,0|1,0,1]=4 4740 B6R1.5 C=C1CC(O)C1 Amb28126950 [1,0,0,1,0,0|1,0,1]=4 4741 B6R1.5 CC1=CC(=O)C1 Amb27451158 [1,0,0,1,0,0|1,0,0]=3 4742 B6R1.5 CC1CC(=O)C1 Amb22284831 [1,0,0,1,0,0|1,0,1]=4 4743 B6R1.5 CC1CC(=O)N1 Amb28383498 [1,0,0,1,0,0|1,0,1]=4 4744 B6R1.5 CC1CC(=O)O1 Amb13777279 [1,0,0,1,0,0|0,0,1]=3 4745 B6R1.5 CC1CC(=O)S1 Amb27424521 [1,0,0,1,0,0|0,1,1]=4 4746 B6R1.5 CN1CC(=O)C1 Amb22292462 [1,0,0,1,0,0|2,0,0]=4 4747 B6R1.5 CN1CC(=O)C1 Amb30869395 [1,0,0,1,0,0|2,0,0]=4 4748 B6R1.5 C[C@@H]1CC(=O)N1 Amb26611068 [1,0,0,1,0,0|1,0,1]=4 4749 B6R1.5 C[C@H]1CC(=O)O1 Amb16234264 [1,0,0,1,0,0|0,0,1]=3 4750 B6R1.5 NC1CC(=O)C1 Amb20241928 [1,0,0,1,0,0|1,0,1]=4 4751 B6R1.5 NC1CC(=O)C1 Amb23439093 [1,0,0,1,0,0|1,0,1]=4 4752 B6R1.5 O=C1CC(=O)C1 Amb27832187 [1,0,0,1,0,0|0,0,0]=2 4753 B6R1.5 O=C1CC(=O)N1 Amb27402706 [1,0,0,1,0,0|1,0,0]=3 4754 B6R1.5 O=C1CC(=S)N1 Amb27815147 [1,0,0,1,0,0|1,1,0]=4 4755 B6R1.5 O=C1CC(Br)C1 Amb33548005 [1,0,0,1,0,0|1,0,1]=4 4756 B6R1.5 O=C1CC(F)C1 Amb27260513 [1,0,0,1,0,0|1,0,1]=4 4757 B6R1.5 O=C1CC(O)C1 Amb22235480 [1,0,0,1,0,0|0,0,1]=3 4758 B6R1.8 C=C1CC1CO Amb22224918 [1,0,0,1,0,0|1,0,1]=4 4759 B6R1.8 C=C1C[C@@H]1C=O Amb27802488 [1,0,0,1,0,0|1,0,0]=3 4760 B6R1.8 C=C1C[C@@H]1CO Amb25359146 [1,0,0,1,0,0|1,0,1]=4 4761 B6R1.8 C=C1C[C@H]1C=O Amb27185751 [1,0,0,1,0,0|1,0,0]=3 4762 B6R1.8 CC1=CC1CO Amb25106800 [1,0,0,1,0,0|1,0,1]=4 4763 B6R1.8 CC1CC1C=O Amb20622289 [1,0,0,1,0,0|1,0,1]=4 4764 B6R1.8 O=CC1CC1Br Amb32667237 [1,0,0,1,0,0|1,0,1]=4 4765 B6R1.8 O=CC1CC1Cl Amb26848532 [1,0,0,1,0,0|1,0,1]=4 4766 B6R1.8 O=CC1CC1F Amb27960633 [1,0,0,1,0,0|1,0,1]=4 4767 B6R1.8 O=C[C@H]1C[C@H]1Cl Amb27198996 [1,0,0,1,0,0|1,0,1]=4 4768 B6R1.9 CC1(C)CC1=O Amb27854054 [1,0,0,1,0,0|1,0,1]=4 4769 B6R1.11 C=C(C)C1CO1 Amb19516025 [1,0,0,1,0,0|1,0,1]=4 4770 B6R1.11 C=C(C)[C@@H]1CO1 Amb33199037 [1,0,0,1,0,0|1,0,1]=4 4771 B6R1.11 C=C(C)[C@H]1CO1 Amb33199151 [1,0,0,1,0,0|1,0,1]=4 4772 B6R1.11 CC(=O)C1CC1 Amb2686663 [1,0,0,1,0,0|1,0,1]=4 4773 B6R1.11 CC(=O)C1CO1 Amb4477044 [1,0,0,1,0,0|0,0,1]=3 4774 B6R1.11 NC(=O)C1CC1 Amb33546284 [1,0,0,1,0,0|1,0,1]=4 4775 B6R1.11 NC(=O)C1CO1 Amb6261241 [1,0,0,1,0,0|1,0,1]=4 4776 B6R1.11 NC(=O)C1CS1 Amb27217272 [1,0,0,1,0,0|2,0,0]=4 4777 B6R1.11 O=C(Br)C1CC1 Amb27457101 [1,0,0,1,0,0|1,0,1]=4 4778 B6R1.11 O=C(Cl)C1CC1 Amb3939317 [1,0,0,1,0,0|1,0,1]=4 4779 B6R1.11 O=C(I)C1CC1 Amb28315968 [1,0,0,1,0,0|1,0,1]=4 4780 B6R1.11 O=C(O)C1C=C1 Amb27185565 [1,0,0,1,0,0|0,0,1]=3 4781 B6R1.11 O=C(O)C1CC1 Amb2686655 [1,0,0,1,0,0|0,0,1]=3 4782 B6R1.11 O=C(O)C1CN1 Amb21864773 [1,0,0,1,0,0|1,0,0]=3 4783 B6R1.11 O=C(O)C1CO1 Amb8395277 [1,0,0,1,0,0|1,0,0]=3 4784 B6R1.11 O=C(O)C1NN1 Amb27949037 [1,0,0,1,0,0|2,0,0]=4 4785 B6R1.11 O=C(O)[C@@H]1CN1 Amb22745452 [1,0,0,1,0,0|1,0,0]=3 4786 B6R1.11 O=C(O)[C@@H]1CO1 Amb26994292 [1,0,0,1,0,0|1,0,0]=3 4787 B6R1.11 O=C(O)[C@@H]1CS1 Amb28396934 [1,0,0,1,0,0|1,0,0]=3 4788 B6R1.11 O=C(O)[C@H]1CS1 Amb27845518 [1,0,0,1,0,0|1,0,0]=3 4789 B6R1.11 O=C([O-])C1CO1 Amb22492453 [1,0,0,1,0,0|1,0,1]=4 4790 B6R1.11 O=S(O)C1CC1 Amb24334290 [1,0,0,1,0,0|1,0,1]=4 4791 B6R1.11 O=[PH](O)C1CC1 Amb8391285 [1,0,0,1,0,0|1,0,1]=4 4792 B6R1.4 CC1COC1=O Amb25794274 [0,0,0,1,1,0|1,0,1]=4 4793 B6R1.4 CC1OCC1=O Amb23456088 [0,0,0,1,1,0|1,0,1]=4 4794 B6R1.4 N=C1CNC1=O Amb27255646 [0,0,0,1,1,0|2,0,0]=4 4795 B6R1.4 N[C@@H]1COC1=O Amb22748014 [0,0,0,1,1,0|1,0,1]=4 4796 B6R1.4 N[C@H]1COC1=O Amb28315731 [0,0,0,1,1,0|1,0,1]=4 4797 B6R1.4 O=C1C=CC1=O Amb22731249 [0,0,0,1,1,0|1,0,1]=4 4798 B6R1.4 O=C1CCC1=O Amb4036402 [0,0,0,1,1,0|1,0,0]=3 4799 B6R1.4 O=C1CCC1O Amb17593027 [0,0,0,1,1,0|1,0,1]=4 4800 B6R1.4 O=C1CNC1=O Amb27973276 [0,0,0,1,1,0|1,0,0]=3 4801 B6R1.4 O=C1NNC1=O Amb25328306 [0,0,0,1,1,0|2,0,0]=4 4802 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,1,0,1|2,0,0]=4 4803 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,1,0,1|2,0,0]=4 4804 B8R1.3 CC1=CNC(=O)CO1 Amb27390806 [0,0,0,1,0,1|1,0,1]=4 4805 B8R1.3 CC1=COC(=O)C=C1 Amb27595539 [0,0,0,1,0,1|1,0,1]=4 4806 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,0,0,1,0,1|2,0,0]=4 4807 B8R1.3 CC1=NNC(=O)NC1 Amb3777345 [0,0,0,1,0,1|2,0,0]=4 4808 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,1,0,1|1,0,1]=4 4809 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,0,0,1,0,1|1,0,1]=4 4810 B8R1.3 CC1CNC(=O)CO1 Amb22371080 [0,0,0,1,0,1|1,0,1]=4 4811 B8R1.3 CC1OCC(=O)CO1 Amb28316125 [0,0,0,1,0,1|1,0,1]=4 4812 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,0,0,1,0,1|1,0,1]=4 4813 B8R1.3 C[C@@H]1CNC(=O)CO1 Amb27470503 [0,0,0,1,0,1|1,0,1]=4 4814 B8R1.3 C[C@H]1CNC(=O)CO1 Amb24589385 [0,0,0,1,0,1|1,0,1]=4 4815 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,0,0,1,0,1|1,0,0]=3 4816 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,0,0,1,0,1|1,0,0]=3 4817 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,1,0,1|2,0,0]=4 4818 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,0,0,1,0,1|0,0,0]=2 4819 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,0,0,1,0,1|1,0,1]=4 4820 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,0,0,1,0,1|1,0,1]=4 4821 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,0,0,1,0,1|0,0,2]=4 4822 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,0,0,1,0,1|2,0,0]=4 4823 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,0,0,1,0,1|1,0,1]=4 4824 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,0,0,1,0,1|1,0,1]=4 4825 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,0,0,1,0,1|1,0,1]=4 4826 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,0,0,1,0,1|1,0,0]=3 4827 B8R1.3 O=C1CNC(=O)NN1 Amb27655538 [0,0,0,1,0,1|2,0,0]=4 4828 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,0,0,1,0,1|0,0,0]=2 4829 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,0,0,1,0,1|0,0,0]=2 4830 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,0,0,1,0,1|0,1,0]=3 4831 B8R1.3 O=C1NCC(O)CO1 Amb27210928 [0,0,0,1,0,1|0,0,2]=4 4832 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [0,0,0,1,0,1|1,0,0]=3 4833 B8R1.20 C=C1CC1CC(C)=O Amb28326031 [0,0,0,1,0,1|2,0,0]=4 4834 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,1|2,0,0]=4 4835 B8R1.20 C=C1CC1NC(N)=O Amb27246174 [0,0,0,1,0,1|2,0,0]=4 4836 B8R1.20 CC(=O)CC1OC1C Amb27767850 [0,0,0,1,0,1|1,0,1]=4 4837 B8R1.20 CC1CC1CC(=O)O Amb25316515 [0,0,0,1,0,1|1,0,1]=4 4838 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [0,0,0,1,0,1|1,0,1]=4 4839 B8R1.20 NC1CC1CC(=O)O Amb27201670 [0,0,0,1,0,1|1,0,1]=4 4840 B8R1.20 N[C@@H]1C[C@H]1CC(=O)O Amb27252154 [0,0,0,1,0,1|1,0,1]=4 4841 B8R1.20 O=C(O)CC1CC1O Amb27981662 [0,0,0,1,0,1|0,0,2]=4 4842 B8R1.23 C=C(C)C1CC(=O)N1 Amb27858929 [0,0,0,1,0,1|2,0,0]=4 4843 B8R1.23 C=C(C)[C@@H]1CC(=O)N1 Amb28251769 [0,0,0,1,0,1|2,0,0]=4 4844 B8R1.23 C=C1CC(C(=O)Cl)C1 Amb10071441 [0,0,0,1,0,1|2,0,0]=4 4845 B8R1.23 C=C1CC(C(=O)O)C1 Amb613197 [0,0,0,1,0,1|1,0,0]=3 4846 B8R1.23 C=C1CC(C(C)=O)C1 Amb26547728 [0,0,0,1,0,1|2,0,0]=4 4847 B8R1.23 C=C1CC(C(N)=O)C1 Amb22896664 [0,0,0,1,0,1|2,0,0]=4 4848 B8R1.23 C=C1CN(C(C)=O)C1 Amb35608821 [0,0,0,1,0,1|2,0,0]=4 4849 B8R1.23 C=C1CN(C(N)=O)C1 Amb35642027 [0,0,0,1,0,1|2,0,0]=4 4850 B8R1.23 CC(=O)C1C=C(C)C1 Amb24676939 [0,0,0,1,0,1|2,0,0]=4 4851 B8R1.23 CC(=O)C1CC(=N)C1 Amb27636166 [0,0,0,1,0,1|2,0,0]=4 4852 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,0,0,1,0,1|1,0,1]=4 4853 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,0,0,1,0,1|1,0,0]=3 4854 B8R1.23 CC(=O)N1CC(O)C1 Amb17935746 [0,0,0,1,0,1|1,0,1]=4 4855 B8R1.23 CC(Cl)C1CC(=O)O1 Amb27878702 [0,0,0,1,0,1|1,0,1]=4 4856 B8R1.23 CC(O)C1CC(=O)C1 Amb34159488 [0,0,0,1,0,1|1,0,1]=4 4857 B8R1.23 CC1CC(C(=O)O)C1 Amb19515989 [0,0,0,1,0,1|1,0,1]=4 4858 B8R1.23 CC1CC(C(=O)O)N1 Amb27816510 [0,0,0,1,0,1|1,0,1]=4 4859 B8R1.23 CC1CC(C(=O)O)N1 Amb33482923 [0,0,0,1,0,1|1,0,1]=4 4860 B8R1.23 CN1CC(C(=O)O)C1 Amb19958116 [0,0,0,1,0,1|2,0,0]=4 4861 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483898 [0,0,0,1,0,1|1,0,1]=4 4862 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 Amb33483920 [0,0,0,1,0,1|1,0,1]=4 4863 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483819 [0,0,0,1,0,1|1,0,1]=4 4864 B8R1.23 C[C@@H]1C[C@H](C(=O)O)N1 Amb33483820 [0,0,0,1,0,1|1,0,1]=4 4865 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 Amb22746374 [0,0,0,1,0,1|1,0,1]=4 4866 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 Amb22746375 [0,0,0,1,0,1|1,0,1]=4 4867 B8R1.23 NC(=O)C1CC(=O)N1 Amb27214249 [0,0,0,1,0,1|1,0,0]=3 4868 B8R1.23 NC1CC(C(=O)O)C1 Amb10610660 [0,0,0,1,0,1|1,0,1]=4 4869 B8R1.23 NC1CC(C(=O)O)C1 Amb33533143 [0,0,0,1,0,1|1,0,1]=4 4870 B8R1.23 NS(=O)C1CC(=O)C1 Amb32720658 [0,0,0,1,0,1|2,0,0]=4 4871 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb10604131 [0,0,0,1,0,1|1,0,1]=4 4872 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 Amb6893769 [0,0,0,1,0,1|1,0,1]=4 4873 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb19514893 [0,0,0,1,0,1|1,0,1]=4 4874 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 Amb33524058 [0,0,0,1,0,1|1,0,1]=4 4875 B8R1.23 O=C(O)C1CC(Br)C1 Amb25889305 [0,0,0,1,0,1|1,0,1]=4 4876 B8R1.23 O=C(O)C1CC(Cl)C1 Amb16233600 [0,0,0,1,0,1|1,0,1]=4 4877 B8R1.23 O=C(O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,1|1,0,1]=4 4878 B8R1.23 O=C(O)C1CC(O)C1 Amb8011535 [0,0,0,1,0,1|0,0,2]=4 4879 B8R1.23 O=C(O)C1CS(=O)C1 Amb26056015 [0,0,0,1,0,1|1,0,0]=3 4880 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 Amb35751665 [0,0,0,1,0,1|1,0,1]=4 4881 B8R1.23 O=C(O)[C@H]1C[C@@H](Cl)C1 Amb28119343 [0,0,0,1,0,1|1,0,1]=4 4882 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 Amb27974528 [0,0,0,1,0,1|1,0,1]=4 4883 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 Amb19516179 [0,0,0,1,0,1|0,0,2]=4 4884 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 Amb24339433 [0,0,0,1,0,1|1,0,1]=4 4885 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 Amb25883786 [0,0,0,1,0,1|1,0,1]=4 4886 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 Amb27883529 [0,0,0,1,0,1|1,0,1]=4 4887 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 Amb19516178 [0,0,0,1,0,1|0,0,2]=4 4888 B8R1.23 O=C1CC(C(=O)Cl)C1 Amb16230813 [0,0,0,1,0,1|1,0,0]=3 4889 B8R1.23 O=C1CC(C(=O)O)C1 Amb33544325 [0,0,0,1,0,1|0,0,0]=2 4890 B8R1.23 O=C1CC(C(=O)O)N1 Amb16232079 [0,0,0,1,0,1|0,0,0]=2 4891 B8R1.23 O=C1CC(C(=O)O)O1 Amb26887454 [0,0,0,1,0,1|0,0,0]=2 4892 B8R1.23 O=C1CC(S(=O)Cl)C1 Amb32720949 [0,0,0,1,0,1|2,0,0]=4 4893 B8R1.23 O=C1CC(S(=O)O)N1 Amb27595618 [0,0,0,1,0,1|1,0,0]=3 4894 B8R1.23 O=C1CN(C(=O)Cl)C1 Amb32864114 [0,0,0,1,0,1|1,0,0]=3 4895 B8R1.23 O=C1C[C@@H](C(=O)O)N1 Amb22367070 [0,0,0,1,0,1|0,0,0]=2 4896 B8R1.23 O=C1C[C@H](C(=O)O)N1 Amb26975061 [0,0,0,1,0,1|0,0,0]=2 4897 B8R1.35 CC(=O)CCC1CO1 Amb28388031 [0,0,0,1,0,1|1,0,1]=4 4898 B8R1.35 CC(=O)NCC1CO1 Amb23557281 [0,0,0,1,0,1|1,0,1]=4 4899 B8R1.35 CC(=O)NC[C@@H]1CO1 Amb27871512 [0,0,0,1,0,1|1,0,1]=4 4900 B8R1.35 CC(=O)NC[C@H]1CO1 Amb25068125 [0,0,0,1,0,1|1,0,1]=4 4901 B8R1.35 CC(=O)OCC1CO1 Amb10789133 [0,0,0,1,0,1|1,0,1]=4 4902 B8R1.35 CC(=O)OC[C@@H]1CO1 Amb27391694 [0,0,0,1,0,1|1,0,1]=4 4903 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,0,0,1,0,1|1,0,0]=3 4904 B8R1.35 O=C(O)CCC1CC1 Amb2686667 [0,0,0,1,0,1|1,0,1]=4 4905 B8R1.35 O=C(O)CCC1CO1 Amb27667995 [0,0,0,1,0,1|0,0,2]=4 4906 B8R1.35 O=C(O)CNC1CC1 Amb7766401 [0,0,0,1,0,1|1,0,1]=4 4907 B8R1.35 O=C(O)CNC1CC1 Amb9677481 [0,0,0,1,0,1|1,0,1]=4 4908 B8R1.35 O=C(O)COC1CC1 Amb27214838 [0,0,0,1,0,1|1,0,1]=4 4909 B8R1.35 O=C(O)CSC1CC1 Amb6760620 [0,0,0,1,0,1|1,0,1]=4 4910 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,0,0,1,0,1|1,0,1]=4 4911 B8R1.51 CC1(C)CNC(=O)O1 Amb16202554 [0,0,0,1,0,1|1,0,1]=4 4912 B8R1.51 CC1(C)COC(=O)O1 Amb24404748 [0,0,0,1,0,1|1,0,1]=4 4913 B8R1.51 CC1(C)NCC(=O)O1 Amb27969182 [0,0,0,1,0,1|1,0,1]=4 4914 B8R1.51 CC1(C)OCC(=O)O1 Amb10601611 [0,0,0,1,0,1|1,0,1]=4 4915 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,0,0,1,0,1|1,0,1]=4 4916 B8R1.51 CC1(F)COC(=O)O1 Amb27420932 [0,0,0,1,0,1|1,0,1]=4 4917 B8R1.51 CC1(O)CNC(=O)C1 Amb2722777 [0,0,0,1,0,1|1,0,1]=4 4918 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,0,0,1,0,1|2,0,0]=4 4919 B8R1.51 C[C@]1(O)CNC(=O)C1 Amb28253160 [0,0,0,1,0,1|1,0,1]=4 4920 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,0,0,1,0,1|1,0,1]=4 4921 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,0,0,1,0,1|2,0,0]=4 4922 B8R1.77 CC(=O)C1CC1(C)O Amb27963572 [0,0,0,1,0,1|1,0,1]=4 4923 B8R1.77 CC1(Br)CC1C(=O)O Amb26021075 [0,0,0,1,0,1|1,0,1]=4 4924 B8R1.77 CC1(C)CC1C(=O)O Amb8385610 [0,0,0,1,0,1|1,0,1]=4 4925 B8R1.77 CC1(C)C[C@@H]1C(=O)O Amb8629067 [0,0,0,1,0,1|1,0,1]=4 4926 B8R1.77 CC1(C)OC1C(=O)O Amb24481352 [0,0,0,1,0,1|1,0,1]=4 4927 B8R1.77 C[C@@]1(Br)C[C@@H]1C(=O)O Amb27477854 [0,0,0,1,0,1|1,0,1]=4 4928 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,1,0,1,0,0|1,0,1]=4 4929 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,1,0,1,0,0|1,0,1]=4 4930 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,1,0,1,0,0|1,0,1]=4 4931 B8R1.1 CC1=NOC(C=O)C1 Amb8010570 [0,1,0,1,0,0|1,0,1]=4 4932 B8R1.1 CCC1=NNC(=O)C1 Amb4335453 [0,1,0,1,0,0|2,0,0]=4 4933 B8R1.1 CCC1=NOC(=O)C1 Amb26614539 [0,1,0,1,0,0|1,0,0]=3 4934 B8R1.1 CCC1CC(=O)CO1 Amb27856666 [0,1,0,1,0,0|1,0,1]=4 4935 B8R1.1 CCC1COC(=O)C1 Amb27854064 [0,1,0,1,0,0|1,0,1]=4 4936 B8R1.1 CNC1=CC(=O)OC1 Amb27168193 [0,1,0,1,0,0|1,0,1]=4 4937 B8R1.1 CNC1COC(=O)C1 Amb26505382 [0,1,0,1,0,0|1,0,1]=4 4938 B8R1.1 COC1=CC(=O)CC1 Amb21864758 [0,1,0,1,0,0|1,0,1]=4 4939 B8R1.1 COC1=CC(=O)OC1 Amb6366827 [0,1,0,1,0,0|0,0,2]=4 4940 B8R1.1 COC1=CNC(=O)C1 Amb28347065 [0,1,0,1,0,0|2,0,0]=4 4941 B8R1.1 COC1CC(=O)CO1 Amb27409395 [0,1,0,1,0,0|0,0,2]=4 4942 B8R1.1 COC1CCC(=O)C1 Amb24483163 [0,1,0,1,0,0|1,0,1]=4 4943 B8R1.1 CSC1=COC(=O)N1 Amb27872292 [0,1,0,1,0,0|2,0,0]=4 4944 B8R1.1 Cc1cc(C=O)on1 Amb6572035 [0,1,0,1,0,0|1,0,1]=4 4945 B8R1.1 Cc1coc(C=O)c1 Amb18124164 [0,1,0,1,0,0|1,0,1]=4 4946 B8R1.1 Cc1coc(C=O)n1 Amb8010964 [0,1,0,1,0,0|2,0,0]=4 4947 B8R1.1 Cc1noc(C=O)n1 Amb8010177 [0,1,0,1,0,0|2,0,0]=4 4948 B8R1.1 NCC1=NC(=O)ON1 Amb28934819 [0,1,0,1,0,0|2,0,0]=4 4949 B8R1.1 NCC1=NNC(=O)C1 Amb18833077 [0,1,0,1,0,0|2,0,0]=4 4950 B8R1.1 NCC1=NOC(=O)C1 Amb18833041 [0,1,0,1,0,0|1,0,0]=3 4951 B8R1.1 O=C1C=C(CBr)CO1 Amb17935686 [0,1,0,1,0,0|1,0,1]=4 4952 B8R1.1 O=C1C=C(CCl)CO1 Amb24481317 [0,1,0,1,0,0|1,0,1]=4 4953 B8R1.1 O=C1C=C(CI)CO1 Amb27613248 [0,1,0,1,0,0|1,0,1]=4 4954 B8R1.1 O=C1C=C(CO)CO1 Amb23557062 [0,1,0,1,0,0|0,0,2]=4 4955 B8R1.1 O=C1C=C(CO)OC1 Amb26899531 [0,1,0,1,0,0|0,0,2]=4 4956 B8R1.1 O=C1C=C(CS)CO1 Amb28316054 [0,1,0,1,0,0|0,1,1]=4 4957 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,1,0,1,0,0|1,0,1]=4 4958 B8R1.1 O=C1CC(CO)=CN1 Amb27462604 [0,1,0,1,0,0|2,0,0]=4 4959 B8R1.1 O=C1CC(CO)=NN1 Amb17593181 [0,1,0,1,0,0|2,0,0]=4 4960 B8R1.1 O=C1CC(CO)CO1 Amb22886806 [0,1,0,1,0,0|0,0,2]=4 4961 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,1,0,1,0,0|2,0,0]=4 4962 B8R1.1 O=C1CCC(CO)C1 Amb22168734 [0,1,0,1,0,0|1,0,1]=4 4963 B8R1.1 O=C1COC(CBr)=N1 Amb28342209 [0,1,0,1,0,0|2,0,0]=4 4964 B8R1.1 O=C1COC(CO)C1 Amb24117838 [0,1,0,1,0,0|0,0,2]=4 4965 B8R1.1 O=C1CS\C(=N\O)N1 Amb22411255 [0,1,0,1,0,0|1,1,0]=4 4966 B8R1.1 O=C1C[C@@H](CBr)CO1 Amb27590526 [0,1,0,1,0,0|1,0,1]=4 4967 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,1,0,1,0,0|1,0,1]=4 4968 B8R1.1 O=C1OC=C(CBr)O1 Amb22491256 [0,1,0,1,0,0|2,0,0]=4 4969 B8R1.1 O=CC1=CC(=O)NC1 Amb27962554 [0,1,0,1,0,0|1,0,1]=4 4970 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [0,1,0,1,0,0|1,0,1]=4 4971 B8R1.1 O=CC1=NC(=O)CS1 Amb35679379 [0,1,0,1,0,0|1,1,0]=4 4972 B8R1.1 O=CC1=NNC(=O)C1 Amb18203380 [0,1,0,1,0,0|2,0,0]=4 4973 B8R1.1 O=CC1=NOC(=O)C1 Amb27209562 [0,1,0,1,0,0|1,0,0]=3 4974 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [0,1,0,1,0,0|1,0,1]=4 4975 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,1,0,1,0,0|1,0,1]=4 4976 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [0,1,0,1,0,0|0,0,1]=3 4977 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [0,1,0,1,0,0|1,0,1]=4 4978 B8R1.1 O=S=C1NC(=O)CS1 Amb27669987 [0,1,0,1,0,0|1,1,0]=4 4979 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,1,0,1,0,0|2,0,0]=4 4980 B8R1.4 CC1=CC(=O)NON1 Amb4004619 [0,1,0,1,0,0|1,0,1]=4 4981 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,1,0,1,0,0|2,0,0]=4 4982 B8R1.4 CC1=CN=NC(=O)C1 Amb28984085 [0,1,0,1,0,0|2,0,0]=4 4983 B8R1.4 CC1CC(=O)CCO1 Amb18833037 [0,1,0,1,0,0|1,0,1]=4 4984 B8R1.4 CN1CCOC(=O)C1 Amb21963307 [0,1,0,1,0,0|2,0,0]=4 4985 B8R1.4 CN1CCOC(=O)C1 Amb22491652 [0,1,0,1,0,0|2,0,0]=4 4986 B8R1.4 C[C@@H]1CC(=O)CCO1 Amb23440042 [0,1,0,1,0,0|1,0,1]=4 4987 B8R1.4 C[C@H]1CC(=O)CCO1 Amb27969730 [0,1,0,1,0,0|1,0,1]=4 4988 B8R1.4 NC1=CC(=O)COC1 Amb25785409 [0,1,0,1,0,0|1,0,1]=4 4989 B8R1.4 NC1=NOCC(=O)N1 Amb27786326 [0,1,0,1,0,0|2,0,0]=4 4990 B8R1.4 NC1COCC(=O)C1 Amb33623050 [0,1,0,1,0,0|1,0,1]=4 4991 B8R1.4 NC1COCC(=O)C1 Amb33716160 [0,1,0,1,0,0|1,0,1]=4 4992 B8R1.4 O=C1C=C(O)CCC1 Amb17844413 [0,1,0,1,0,0|1,0,1]=4 4993 B8R1.4 O=C1C=C(O)COC1 Amb28048998 [0,1,0,1,0,0|0,0,2]=4 4994 B8R1.4 O=C1C=C=CC(=O)C1 Amb27486115 [0,1,0,1,0,0|1,0,1]=4 4995 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,1,0,1,0,0|2,0,0]=4 4996 B8R1.4 O=C1C=COC(=O)C1 Amb25358147 [0,1,0,1,0,0|0,0,1]=3 4997 B8R1.4 O=C1CC(=O)NC=N1 Amb2542511 [0,1,0,1,0,0|1,0,1]=4 4998 B8R1.4 O=C1CC(=O)NCN1 Amb27949946 [0,1,0,1,0,0|1,0,0]=3 4999 B8R1.4 O=C1CC(O)=NC=N1 Amb19748545 [0,1,0,1,0,0|1,0,1]=4 5000 B8R1.4 O=C1CC(O)CCN1 Amb10602744 [0,1,0,1,0,0|1,0,1]=4 5001 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,1,0,1,0,0|1,0,0]=3 5002 B8R1.4 O=C1CCCC(=O)N1 Amb8386485 [0,1,0,1,0,0|2,0,0]=4 5003 B8R1.4 O=C1CCCC(=O)O1 Amb6608952 [0,1,0,1,0,0|2,0,0]=4 5004 B8R1.4 O=C1CCCC(=O)S1 Amb27849467 [0,1,0,1,0,0|2,0,0]=4 5005 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,1,0,1,0,0|1,0,1]=4 5006 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,1,0,1,0,0|1,0,1]=4 5007 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,1,0,1,0,0|1,0,1]=4 5008 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,1,0,1,0,0|1,0,0]=3 5009 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,1,0,1,0,0|2,0,0]=4 5010 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,1,0,1,0,0|2,0,0]=4 5011 B8R1.4 O=C1CCNC(=O)S1 Amb27786235 [0,1,0,1,0,0|2,0,0]=4 5012 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,1,0,1,0,0|0,0,0]=2 5013 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,1,0,1,0,0|1,1,0]=4 5014 B8R1.4 O=C1CNCC(=O)C1 Amb26464137 [0,1,0,1,0,0|1,0,0]=3 5015 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,1,0,1,0,0|2,0,0]=4 5016 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,1,0,1,0,0|2,0,0]=4 5017 B8R1.4 O=C1CNCC(=O)S1 Amb27390859 [0,1,0,1,0,0|2,0,0]=4 5018 B8R1.4 O=C1COCC(=O)C1 Amb8392404 [0,1,0,1,0,0|0,0,0]=2 5019 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,1,0,1,0,0|1,0,0]=3 5020 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,1,0,1,0,0|1,0,0]=3 5021 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,1,0,1,0,0|2,0,0]=4 5022 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,1,0,1,0,0|0,1,0]=3 5023 B8R1.4 O=C1CSCC(=O)N1 Amb7173003 [0,1,0,1,0,0|1,1,0]=4 5024 B8R1.4 O=C1CSCC(=O)O1 Amb2725405 [0,1,0,1,0,0|1,1,0]=4 5025 B8R1.4 O=C1C[C@@H](O)CCN1 Amb22744924 [0,1,0,1,0,0|1,0,1]=4 5026 B8R1.4 O=C1C[C@H](O)CCN1 Amb17845212 [0,1,0,1,0,0|1,0,1]=4 5027 B8R1.4 O=C1NCNC(=O)N1 Amb4010672 [0,1,0,1,0,0|2,0,0]=4 5028 B8R1.18 C=C1CC(=O)CC1=C Amb27206694 [0,1,0,1,0,0|2,0,0]=4 5029 B8R1.18 C=C1CC(=O)NC1=O Amb26369663 [0,1,0,1,0,0|1,0,1]=4 5030 B8R1.18 C=C1CC(=O)OC1=O Amb3940408 [0,1,0,1,0,0|0,0,1]=3 5031 B8R1.18 C=C1CC(C)=CC1=O Amb28285155 [0,1,0,1,0,0|2,0,0]=4 5032 B8R1.18 CC1=C(C)NC(=O)C1 Amb27830150 [0,1,0,1,0,0|2,0,0]=4 5033 B8R1.18 CC1=C(C)OC(=O)N1 Amb19516947 [0,1,0,1,0,0|2,0,0]=4 5034 B8R1.18 CC1=C(C)OC(=O)O1 Amb19654027 [0,1,0,1,0,0|2,0,0]=4 5035 B8R1.18 CC1=CC(=O)C(C)O1 Amb2725441 [0,1,0,1,0,0|1,0,1]=4 5036 B8R1.18 CC1=CC(=O)NC1=O Amb8997582 [0,1,0,1,0,0|1,0,1]=4 5037 B8R1.18 CC1=CC(=O)OC1=O Amb6608948 [0,1,0,1,0,0|0,0,1]=3 5038 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [0,1,0,1,0,0|1,0,1]=4 5039 B8R1.18 CC1=CC(=O)OC1O Amb8389484 [0,1,0,1,0,0|0,0,2]=4 5040 B8R1.18 CC1=CC(C)C(=O)C1 Amb28049000 [0,1,0,1,0,0|2,0,0]=4 5041 B8R1.18 CC1=C[C@H](O)CC1=O Amb28316153 [0,1,0,1,0,0|1,0,1]=4 5042 B8R1.18 CC1=NN(C)C(=O)C1 Amb2228109 [0,1,0,1,0,0|2,0,0]=4 5043 B8R1.18 CC1CC(=O)C(C)O1 Amb26869093 [0,1,0,1,0,0|1,0,1]=4 5044 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [0,1,0,1,0,0|1,0,1]=4 5045 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,1,0,1,0,0|0,0,1]=3 5046 B8R1.18 CC1CC(=O)OC1C Amb27873473 [0,1,0,1,0,0|1,0,1]=4 5047 B8R1.18 CC1CC(=O)OC1O Amb26536810 [0,1,0,1,0,0|0,0,2]=4 5048 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,1,0,1,0,0|1,0,0]=3 5049 B8R1.18 CC1NC(=O)NC1=O Amb1150065 [0,1,0,1,0,0|2,0,0]=4 5050 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,1,0,1,0,0|1,0,1]=4 5051 B8R1.18 CC1OC(=O)C=C1N Amb27838294 [0,1,0,1,0,0|1,0,1]=4 5052 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [0,1,0,1,0,0|0,0,0]=2 5053 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,1,0,1,0,0|1,0,0]=3 5054 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [0,1,0,1,0,0|1,0,0]=3 5055 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,1,0,1,0,0|1,1,0]=4 5056 B8R1.18 CN1CC(=O)CC1=O Amb33543710 [0,1,0,1,0,0|1,0,0]=3 5057 B8R1.18 CN1CC(=O)NC1=O Amb3940344 [0,1,0,1,0,0|2,0,0]=4 5058 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,1,0,1,0,0|1,0,0]=3 5059 B8R1.18 CN1CC(O)CC1=O Amb22059466 [0,1,0,1,0,0|1,0,1]=4 5060 B8R1.18 CN1CS(=O)CC1=O Amb24579772 [0,1,0,1,0,0|2,0,0]=4 5061 B8R1.18 CN1C[C@@H](O)CC1=O Amb27806160 [0,1,0,1,0,0|1,0,1]=4 5062 B8R1.18 CN1C[C@H](O)CC1=O Amb25762416 [0,1,0,1,0,0|1,0,1]=4 5063 B8R1.18 CN1N=C(Br)CC1=O Amb26629126 [0,1,0,1,0,0|2,0,0]=4 5064 B8R1.18 CN1N=C(N)CC1=O Amb18665066 [0,1,0,1,0,0|2,0,0]=4 5065 B8R1.18 CN1NC(=N)CC1=O Amb19314983 [0,1,0,1,0,0|2,0,0]=4 5066 B8R1.18 CN1NC(=O)NC1=O Amb25324546 [0,1,0,1,0,0|2,0,0]=4 5067 B8R1.18 CN1OC(=O)C=C1N Amb25910818 [0,1,0,1,0,0|1,0,1]=4 5068 B8R1.18 CN1OC(N)=CC1=O Amb25889242 [0,1,0,1,0,0|1,0,1]=4 5069 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,1,0,1,0,0|0,0,1]=3 5070 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,1,0,1,0,0|1,0,0]=3 5071 B8R1.18 C[C@@H]1NC(=O)NC1=O Amb17617476 [0,1,0,1,0,0|2,0,0]=4 5072 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [0,1,0,1,0,0|1,0,1]=4 5073 B8R1.18 C[C@@H]1OC(=O)C[C@H]1Cl Amb27252234 [0,1,0,1,0,0|1,0,1]=4 5074 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [0,1,0,1,0,0|1,0,1]=4 5075 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,1,0,1,0,0|0,0,1]=3 5076 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [0,1,0,1,0,0|1,0,1]=4 5077 B8R1.18 C[C@H]1CC(=O)[C@H](C)O1 Amb28246509 [0,1,0,1,0,0|1,0,1]=4 5078 B8R1.18 C[C@H]1NC(=O)NC1=O Amb17617475 [0,1,0,1,0,0|2,0,0]=4 5079 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [0,1,0,1,0,0|1,0,1]=4 5080 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [0,1,0,1,0,0|1,0,1]=4 5081 B8R1.18 C[C@H]1OC(=O)C[C@H]1O Amb27775518 [0,1,0,1,0,0|0,0,2]=4 5082 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [0,1,0,1,0,0|2,0,0]=4 5083 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [0,1,0,1,0,0|2,0,0]=4 5084 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,1,0,1,0,0|1,0,1]=4 5085 B8R1.18 NC1NC(=O)NC1=O Amb28118590 [0,1,0,1,0,0|2,0,0]=4 5086 B8R1.18 NC1SC(=O)NC1=O Amb2794365 [0,1,0,1,0,0|1,1,0]=4 5087 B8R1.18 NN1CC(=O)NC1=O Amb1106079 [0,1,0,1,0,0|2,0,0]=4 5088 B8R1.18 NN1CC(=O)NC1=O Amb2720280 [0,1,0,1,0,0|2,0,0]=4 5089 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,1,0,1,0,0|1,0,1]=4 5090 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,1,0,1,0,0|1,0,1]=4 5091 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [0,1,0,1,0,0|2,0,0]=4 5092 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,1,0,1,0,0|1,0,1]=4 5093 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [0,1,0,1,0,0|1,0,1]=4 5094 B8R1.18 O=C1C=C(Br)C(=O)O1 Amb15693391 [0,1,0,1,0,0|1,0,1]=4 5095 B8R1.18 O=C1C=C(Cl)C(=O)C1 Amb28126779 [0,1,0,1,0,0|1,0,1]=4 5096 B8R1.18 O=C1C=C(Cl)C(Cl)O1 Amb27954144 [0,1,0,1,0,0|1,0,1]=4 5097 B8R1.18 O=C1C=C(Cl)C(O)O1 Amb25889252 [0,1,0,1,0,0|1,0,1]=4 5098 B8R1.18 O=C1C=C(F)C(=O)O1 Amb28049388 [0,1,0,1,0,0|1,0,1]=4 5099 B8R1.18 O=C1C=C(O)C(=O)C1 Amb24330381 [0,1,0,1,0,0|0,0,1]=3 5100 B8R1.18 O=C1C=C(O)C(=O)N1 Amb28323034 [0,1,0,1,0,0|1,0,1]=4 5101 B8R1.18 O=C1CC(=O)C(=O)C1 Amb28126773 [0,1,0,1,0,0|0,0,1]=3 5102 B8R1.18 O=C1CC(=O)C(O)C1 Amb24330382 [0,1,0,1,0,0|0,0,0]=2 5103 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,1,0,1,0,0|1,0,1]=4 5104 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,1,0,1,0,0|1,0,0]=3 5105 B8R1.18 O=C1CN([SiH3])C(=O)N1 Amb28071257 [0,1,0,1,0,0|2,0,0]=4 5106 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,1,0,1,0,0|1,0,1]=4 5107 B8R1.18 O=C1C[C@@H](O)[C@H](O)C1 Amb27841798 [0,1,0,1,0,0|0,0,2]=4 5108 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,1,0,1,0,0|1,0,1]=4 5109 B8R1.18 O=C1NC(=O)C(=S)O1 Amb27643395 [0,1,0,1,0,0|1,0,1]=4 5110 B8R1.18 O=C1NC(=O)C(Br)N1 Amb8383660 [0,1,0,1,0,0|2,0,0]=4 5111 B8R1.18 O=C1NC(=O)C(Br)S1 Amb2436078 [0,1,0,1,0,0|1,1,0]=4 5112 B8R1.18 O=C1NC(=O)C(O)N1 Amb17615425 [0,1,0,1,0,0|2,0,0]=4 5113 B8R1.18 [NH3+]N1CC(=O)NC1=O Amb4296932 [0,1,0,1,0,0|2,0,0]=4 5114 B8R1.29 CC1(C)OC(=O)C1Cl Amb27232959 [0,1,0,1,0,0|1,0,1]=4 5115 B8R1.29 CC1C(=O)CS1(=O)=O Amb27948622 [0,1,0,1,0,0|1,0,1]=4 5116 B8R1.31 C=C(C)C1CCC1=O Amb28383142 [0,1,0,1,0,0|2,0,0]=4 5117 B8R1.31 C=C(C)C1SCC1=O Amb28351407 [0,1,0,1,0,0|1,1,0]=4 5118 B8R1.31 C=C1CCC1C(=O)O Amb28281144 [0,1,0,1,0,0|1,0,0]=3 5119 B8R1.31 CC(=O)C1CCC1=O Amb26910118 [0,1,0,1,0,0|1,0,0]=3 5120 B8R1.31 CC(=O)C1CCC1O Amb33213172 [0,1,0,1,0,0|1,0,1]=4 5121 B8R1.31 CC(C)C1OCC1=O Amb23456090 [0,1,0,1,0,0|1,0,1]=4 5122 B8R1.31 CC(O)C1CNC1=O Amb27872309 [0,1,0,1,0,0|1,0,1]=4 5123 B8R1.31 CC1CCC1C(=O)O Amb21857447 [0,1,0,1,0,0|1,0,1]=4 5124 B8R1.31 CC1NCC1C(=O)O Amb26984410 [0,1,0,1,0,0|1,0,1]=4 5125 B8R1.31 CN1CCC1C(=O)O Amb22011586 [0,1,0,1,0,0|2,0,0]=4 5126 B8R1.31 CN1CC[C@@H]1C(=O)O Amb24183372 [0,1,0,1,0,0|2,0,0]=4 5127 B8R1.31 CN1CC[C@H]1C(=O)O Amb24699921 [0,1,0,1,0,0|2,0,0]=4 5128 B8R1.31 C[C@@H]1CC[C@@H]1C(=O)O Amb28203929 [0,1,0,1,0,0|1,0,1]=4 5129 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb24597629 [0,1,0,1,0,0|1,0,1]=4 5130 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb33620541 [0,1,0,1,0,0|1,0,1]=4 5131 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O Amb34913092 [0,1,0,1,0,0|1,0,1]=4 5132 B8R1.31 NC(=O)C1NOC1=O Amb27202973 [0,1,0,1,0,0|1,0,0]=3 5133 B8R1.31 NC1CCC1C(=O)O Amb26979562 [0,1,0,1,0,0|1,0,1]=4 5134 B8R1.31 NC1COC1C(=O)O Amb28428430 [0,1,0,1,0,0|1,0,1]=4 5135 B8R1.31 NN1CC[C@H]1C(=O)O Amb27261518 [0,1,0,1,0,0|2,0,0]=4 5136 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24117048 [0,1,0,1,0,0|1,0,1]=4 5137 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24183584 [0,1,0,1,0,0|1,0,1]=4 5138 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb25976891 [0,1,0,1,0,0|1,0,1]=4 5139 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb31291972 [0,1,0,1,0,0|1,0,1]=4 5140 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Amb24681491 [0,1,0,1,0,0|1,0,1]=4 5141 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb27187220 [0,1,0,1,0,0|1,0,1]=4 5142 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb33805288 [0,1,0,1,0,0|1,0,1]=4 5143 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb25911896 [0,1,0,1,0,0|1,0,1]=4 5144 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb33801366 [0,1,0,1,0,0|1,0,1]=4 5145 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Amb25324265 [0,1,0,1,0,0|1,0,1]=4 5146 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Amb25929776 [0,1,0,1,0,0|1,0,1]=4 5147 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,1,0,1,0,0|1,0,1]=4 5148 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,1,0,1,0,0|1,0,1]=4 5149 B8R1.31 O=C(O)C1CCC1Cl Amb27490061 [0,1,0,1,0,0|1,0,1]=4 5150 B8R1.31 O=C(O)C1CCC1F Amb27835547 [0,1,0,1,0,0|1,0,1]=4 5151 B8R1.31 O=C(O)C1CCC1O Amb24481384 [0,1,0,1,0,0|0,0,2]=4 5152 B8R1.31 O=C(O)C1CNC1=O Amb24524290 [0,1,0,1,0,0|0,0,0]=2 5153 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O Amb27619188 [0,1,0,1,0,0|0,0,2]=4 5154 B8R1.31 O=C(O)[C@@H]1CNC1=O Amb26452604 [0,1,0,1,0,0|0,0,0]=2 5155 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O Amb34913090 [0,1,0,1,0,0|0,0,2]=4 5156 B8R1.31 O=C(O)[C@H]1CNC1=O Amb34146450 [0,1,0,1,0,0|0,0,0]=2 5157 B8R1.31 [C@@H]1([C@@H](C)O)CNC1=O Amb17843592 [0,1,0,1,0,0|1,0,1]=4 5158 B8R1.34 CC(=O)C=C1COC1 Amb20671341 [0,1,0,1,0,0|1,0,1]=4 5159 B8R1.34 CC(=O)CC1COC1 Amb22728373 [0,1,0,1,0,0|1,0,1]=4 5160 B8R1.34 O=C(O)C=C1CCC1 Amb20667794 [0,1,0,1,0,0|1,0,1]=4 5161 B8R1.34 O=C(O)C=C1CNC1 Amb27255049 [0,1,0,1,0,0|1,0,1]=4 5162 B8R1.34 O=C(O)C=C1CNC1 Amb34150330 [0,1,0,1,0,0|1,0,1]=4 5163 B8R1.34 O=C(O)C=C1COC1 Amb26866250 [0,1,0,1,0,0|0,0,2]=4 5164 B8R1.34 O=C(O)C=C1CSC1 Amb24379733 [0,1,0,1,0,0|0,1,1]=4 5165 B8R1.34 O=C(O)CC1CCC1 Amb2696078 [0,1,0,1,0,0|1,0,1]=4 5166 B8R1.34 O=C(O)CC1CCN1 Amb25068427 [0,1,0,1,0,0|1,0,1]=4 5167 B8R1.34 O=C(O)CC1CCO1 Amb28136625 [0,1,0,1,0,0|0,0,2]=4 5168 B8R1.34 O=C(O)CC1CNC1 Amb21856240 [0,1,0,1,0,0|1,0,1]=4 5169 B8R1.34 O=C(O)CC1CNC1 Amb22057370 [0,1,0,1,0,0|1,0,1]=4 5170 B8R1.34 O=C(O)CC1CNC1 Amb22739043 [0,1,0,1,0,0|1,0,1]=4 5171 B8R1.34 O=C(O)CC1COC1 Amb18199145 [0,1,0,1,0,0|0,0,2]=4 5172 B8R1.34 O=C(O)CC1CSC1 Amb26049907 [0,1,0,1,0,0|0,1,1]=4 5173 B8R1.34 O=C(O)CN1CCC1 Amb28934892 [0,1,0,1,0,0|2,0,0]=4 5174 B8R1.34 O=C(O)C[C@@H]1CCO1 Amb33715997 [0,1,0,1,0,0|0,0,2]=4 5175 B8R1.34 O=C(O)C[C@H]1CCO1 Amb26570015 [0,1,0,1,0,0|0,0,2]=4 5176 B8R1.40 CCC(=O)CC1CO1 Amb28316245 [0,1,0,1,0,0|1,0,1]=4 5177 B8R1.40 COC(=O)C=C1CC1 Amb26419681 [0,1,0,1,0,0|1,0,1]=4 5178 B8R1.40 COC(=O)CC1CC1 Amb20622313 [0,1,0,1,0,0|1,0,1]=4 5179 B8R1.42 CC1(CC(=O)O)CC1 Amb33544283 [0,1,0,1,0,0|1,0,1]=4 5180 B8R1.42 CC1(CC(=O)O)N=N1 Amb27424155 [0,1,0,1,0,0|1,0,1]=4 5181 B8R1.42 NC1(CC(=O)O)CC1 Amb18833024 [0,1,0,1,0,0|1,0,1]=4 5182 B8R1.42 NC1(CC(=O)O)CC1 Amb33550832 [0,1,0,1,0,0|1,0,1]=4 5183 B8R1.42 O=C(O)CC1(Br)CC1 Amb27261767 [0,1,0,1,0,0|1,0,1]=4 5184 B8R1.42 O=C(O)CC1(Cl)CC1 Amb35743975 [0,1,0,1,0,0|1,0,1]=4 5185 B8R1.42 O=C(O)CC1(F)CC1 Amb28434812 [0,1,0,1,0,0|1,0,1]=4 5186 B8R1.42 O=C(O)CC1(O)CC1 Amb24117238 [0,1,0,1,0,0|0,0,2]=4 5187 B8R1.43 C#CC1CC1C(=O)O Amb27398329 [0,1,0,1,0,0|1,0,1]=4 5188 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O Amb24076488 [0,1,0,1,0,0|1,0,1]=4 5189 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O Amb28073511 [0,1,0,1,0,0|1,0,1]=4 5190 B8R1.43 C=CC1OC1C(C)=O Amb28133068 [0,1,0,1,0,0|1,0,1]=4 5191 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O Amb28347448 [0,1,0,1,0,0|1,0,1]=4 5192 B8R1.43 CC(=O)C1CC1C=O Amb27809942 [0,1,0,1,0,0|1,0,1]=4 5193 B8R1.43 CC(=O)C1OC1C=O Amb27429116 [0,1,0,1,0,0|0,0,1]=3 5194 B8R1.43 CC(=O)[C@@H]1C[C@@H]1CO Amb28074697 [0,1,0,1,0,0|1,0,1]=4 5195 B8R1.43 CC(=O)[C@@H]1C[C@H]1CO Amb26561383 [0,1,0,1,0,0|1,0,1]=4 5196 B8R1.43 CC(=O)[C@H]1C[C@H]1C=O Amb27186674 [0,1,0,1,0,0|1,0,1]=4 5197 B8R1.43 CCC1CC1C(=O)O Amb18961272 [0,1,0,1,0,0|1,0,1]=4 5198 B8R1.43 CCC1OC1C(C)=O Amb27206899 [0,1,0,1,0,0|1,0,1]=4 5199 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Amb24112910 [0,1,0,1,0,0|1,0,1]=4 5200 B8R1.43 CC[C@@H]1O[C@@H]1C(=O)O Amb27855470 [0,1,0,1,0,0|0,0,2]=4 5201 B8R1.43 CC[C@@H]1O[C@@H]1C(C)=O Amb27854614 [0,1,0,1,0,0|1,0,1]=4 5202 B8R1.43 CC[C@H]1C[C@H]1C(=O)O Amb33098417 [0,1,0,1,0,0|1,0,1]=4 5203 B8R1.43 CC[C@H]1O[C@@H]1C(=O)O Amb27811556 [0,1,0,1,0,0|0,0,2]=4 5204 B8R1.43 CC[C@H]1O[C@H]1C(=O)O Amb27222314 [0,1,0,1,0,0|0,0,2]=4 5205 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O Amb24514838 [0,1,0,1,0,0|0,0,2]=4 5206 B8R1.43 CO[C@@H]1C[C@H]1C(C)=O Amb27407296 [0,1,0,1,0,0|1,0,1]=4 5207 B8R1.43 N#CC1CC1C(=O)O Amb24183452 [0,1,0,1,0,0|1,0,1]=4 5208 B8R1.43 N#C[C@@H]1C[C@@H]1C(=O)O Amb24183522 [0,1,0,1,0,0|1,0,1]=4 5209 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Amb24183456 [0,1,0,1,0,0|1,0,1]=4 5210 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O Amb33805321 [0,1,0,1,0,0|1,0,1]=4 5211 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Amb25168974 [0,1,0,1,0,0|1,0,1]=4 5212 B8R1.43 NCC1CC1C(=O)O Amb2694938 [0,1,0,1,0,0|1,0,1]=4 5213 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb24680970 [0,1,0,1,0,0|1,0,1]=4 5214 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb32992808 [0,1,0,1,0,0|1,0,1]=4 5215 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Amb27205078 [0,1,0,1,0,0|1,0,1]=4 5216 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O Amb27252099 [0,1,0,1,0,0|1,0,1]=4 5217 B8R1.43 NC[C@H]1C[C@H]1C(=O)O Amb28069146 [0,1,0,1,0,0|1,0,1]=4 5218 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,1,0,1,0,0|1,0,1]=4 5219 B8R1.43 O=C(O)C1CC1CBr Amb27407770 [0,1,0,1,0,0|1,0,1]=4 5220 B8R1.43 O=C(O)C1CC1CCl Amb26895220 [0,1,0,1,0,0|1,0,1]=4 5221 B8R1.43 O=C(O)C1CC1CO Amb25173469 [0,1,0,1,0,0|0,0,2]=4 5222 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [0,1,0,1,0,0|0,0,2]=4 5223 B8R1.43 O=C(O)[C@@H]1C[C@H]1CBr Amb26552185 [0,1,0,1,0,0|1,0,1]=4 5224 B8R1.43 O=C(O)[C@@H]1C[C@H]1CF Amb33098414 [0,1,0,1,0,0|1,0,1]=4 5225 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [0,1,0,1,0,0|0,0,2]=4 5226 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [0,1,0,1,0,0|0,0,2]=4 5227 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Amb25911990 [0,1,0,1,0,0|0,0,1]=3 5228 B8R1.62 CC1(CO)CC(=O)C1 Amb22406263 [0,1,0,1,0,0|1,0,1]=4 5229 B8R1.62 O=C1CC(Cl)(CCl)O1 Amb27493123 [0,1,0,1,0,0|1,0,1]=4 5230 B8R1.67 C=C1C(C)C1C(=O)O Amb27985954 [0,1,0,1,0,0|1,0,0]=3 5231 B8R1.67 C=C1C(C)C1C(C)=O Amb26887809 [0,1,0,1,0,0|2,0,0]=4 5232 B8R1.67 CC(=O)C1C(C)=C1C Amb28145774 [0,1,0,1,0,0|2,0,0]=4 5233 B8R1.67 CC1=C(C)C1C(N)=O Amb27831562 [0,1,0,1,0,0|2,0,0]=4 5234 B8R1.67 CC1C(Cl)C1C(=O)O Amb32656377 [0,1,0,1,0,0|1,0,1]=4 5235 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C Amb25937319 [0,1,0,1,0,0|1,0,1]=4 5236 B8R1.67 C[C@@H]1[C@@H](N)[C@@H]1C(=O)O Amb28365983 [0,1,0,1,0,0|1,0,1]=4 5237 B8R1.67 O=C(O)C1C(Cl)C1Cl Amb25918156 [0,1,0,1,0,0|1,0,1]=4 5238 B8R1.83 C=C1CC1C(=O)OC Amb28284472 [0,1,0,1,0,0|1,0,0]=3 5239 B8R1.83 CCC(=O)C1OC1C Amb25944989 [0,1,0,1,0,0|1,0,1]=4 5240 B8R1.83 COC(=O)C1CC1Br Amb27864121 [0,1,0,1,0,0|1,0,1]=4 5241 B8R1.83 COC(=O)C1CC1C Amb9241819 [0,1,0,1,0,0|1,0,1]=4 5242 B8R1.83 COC(=O)C1OC1C Amb22055865 [0,1,0,1,0,0|0,0,2]=4 5243 B8R1.83 COC(=O)[C@@H]1C[C@H]1C Amb27205901 [0,1,0,1,0,0|1,0,1]=4 5244 B8R1.83 COC(=O)[C@@H]1C[C@H]1F Amb28072373 [0,1,0,1,0,0|1,0,1]=4 5245 B8R1.83 COC(=O)[C@@H]1N[C@H]1C Amb24120620 [0,1,0,1,0,0|1,0,1]=4 5246 B8R1.83 COC(=O)[C@@H]1O[C@H]1C Amb27880914 [0,1,0,1,0,0|0,0,2]=4 5247 B8R1.30 C=C1CC1(C)C(C)=O Amb25913489 [0,1,0,1,0,0|2,0,0]=4 5248 B8R1.30 C=C1CC1(N)C(=O)O Amb22274582 [0,1,0,1,0,0|1,0,0]=3 5249 B8R1.30 CC1(C(=O)O)CC1Br Amb25889224 [0,1,0,1,0,0|1,0,1]=4 5250 B8R1.30 CC1(C(=O)O)CC1Cl Amb28325885 [0,1,0,1,0,0|1,0,1]=4 5251 B8R1.30 CC1(C(=O)O)CC1F Amb24445672 [0,1,0,1,0,0|1,0,1]=4 5252 B8R1.30 CC1CC1(C)C(=O)O Amb28456906 [0,1,0,1,0,0|1,0,1]=4 5253 B8R1.30 CC1CC1(F)C(=O)O Amb32679974 [0,1,0,1,0,0|1,0,1]=4 5254 B8R1.30 CC1CC1(N)C(=O)O Amb26066646 [0,1,0,1,0,0|1,0,1]=4 5255 B8R1.30 C[C@@H]1C[C@@]1(C)C(=O)O Amb24680945 [0,1,0,1,0,0|1,0,1]=4 5256 B8R1.30 C[C@@H]1C[C@@]1(O)C(=O)O Amb28133921 [0,1,0,1,0,0|1,0,1]=4 5257 B8R1.30 C[C@@H]1O[C@]1(C)C(=O)O Amb28057500 [0,1,0,1,0,0|0,0,2]=4 5258 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1Cl Amb28134278 [0,1,0,1,0,0|1,0,1]=4 5259 B8R1.30 C[C@@]1(C(=O)O)C[C@@H]1F Amb24053139 [0,1,0,1,0,0|1,0,1]=4 5260 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Br Amb27222642 [0,1,0,1,0,0|1,0,1]=4 5261 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1Cl Amb28196682 [0,1,0,1,0,0|1,0,1]=4 5262 B8R1.30 C[C@@]1(C(=O)O)C[C@H]1F Amb26656665 [0,1,0,1,0,0|1,0,1]=4 5263 B8R1.30 C[C@H]1C[C@@]1(C)C(=O)O Amb27789627 [0,1,0,1,0,0|1,0,1]=4 5264 B8R1.30 C[C@H]1C[C@@]1(Cl)C(=O)O Amb28286348 [0,1,0,1,0,0|1,0,1]=4 5265 B8R1.30 C[C@H]1C[C@]1(N)C(=O)O Amb27873946 [0,1,0,1,0,0|1,0,1]=4 5266 B8R1.30 C[C@H]1C[C@]1(O)C(=O)O Amb27881113 [0,1,0,1,0,0|1,0,1]=4 5267 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F Amb26987734 [0,1,0,1,0,0|1,0,1]=4 5268 B8R1.30 C[C@]1(C(=O)O)C[C@H]1F Amb26870422 [0,1,0,1,0,0|1,0,1]=4 5269 B8R1.30 NC1(C(=O)O)CC1Br Amb27430541 [0,1,0,1,0,0|1,0,1]=4 5270 B8R1.30 NC1(C(=O)O)CC1Cl Amb27596928 [0,1,0,1,0,0|1,0,1]=4 5271 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Br Amb28411230 [0,1,0,1,0,0|1,0,1]=4 5272 B8R1.30 N[C@@]1(C(=O)O)C[C@@H]1Cl Amb25245700 [0,1,0,1,0,0|1,0,1]=4 5273 B8R1.30 N[C@@]1(C(=O)O)C[C@H]1Cl Amb28436769 [0,1,0,1,0,0|1,0,1]=4 5274 B8R1.30 N[C@]1(C(=O)O)C[C@@H]1Cl Amb26587370 [0,1,0,1,0,0|1,0,1]=4 5275 B8R1.30 N[C@]1(C(=O)O)C[C@H]1Cl Amb22748908 [0,1,0,1,0,0|1,0,1]=4 5276 B8R1.50 CC1=C(Br)COC1=O Amb27854509 [0,1,0,1,0,0|1,0,1]=4 5277 B8R1.50 CC1=C(Cl)C(=O)OC1 Amb26020563 [0,1,0,1,0,0|1,0,1]=4 5278 B8R1.50 CC1=C(Cl)C(=O)ON1 Amb27431251 [0,1,0,1,0,0|1,0,1]=4 5279 B8R1.50 CC1=C(N)OCC1=O Amb27839546 [0,1,0,1,0,0|1,0,1]=4 5280 B8R1.50 CC1=C(O)C(=O)CO1 Amb8386149 [0,1,0,1,0,0|1,0,1]=4 5281 B8R1.50 CC1=C(O)C(=O)OC1 Amb23571854 [0,1,0,1,0,0|1,0,1]=4 5282 B8R1.50 CC1=C(O)COC1=O Amb2611869 [0,1,0,1,0,0|0,0,2]=4 5283 B8R1.50 CC1=CCC(=O)C1O Amb27828885 [0,1,0,1,0,0|2,0,0]=4 5284 B8R1.50 CC1=NNC(=O)C1Br Amb22330367 [0,1,0,1,0,0|2,0,0]=4 5285 B8R1.50 CC1=NNC(=O)C1C Amb3429410 [0,1,0,1,0,0|2,0,0]=4 5286 B8R1.50 CC1=NNC(=O)C1F Amb27829533 [0,1,0,1,0,0|2,0,0]=4 5287 B8R1.50 CC1=NNC(=O)C1N Amb32664286 [0,1,0,1,0,0|2,0,0]=4 5288 B8R1.50 CC1=NOC(=O)C1C Amb19958218 [0,1,0,1,0,0|1,0,0]=3 5289 B8R1.50 CC1C(=O)CCC1=O Amb974862 [0,1,0,1,0,0|1,0,0]=3 5290 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,1,0,1,0,0|0,0,0]=2 5291 B8R1.50 CC1C(=O)NCS1=O Amb27630693 [0,1,0,1,0,0|2,0,0]=4 5292 B8R1.50 CC1C(=O)OC[C@@H]1O Amb27208229 [0,1,0,1,0,0|0,0,2]=4 5293 B8R1.50 CC1C(=O)OC[C@H]1O Amb27484790 [0,1,0,1,0,0|0,0,2]=4 5294 B8R1.50 CC1COC(=O)C1Br Amb27401963 [0,1,0,1,0,0|1,0,1]=4 5295 B8R1.50 CC1OCC(=O)C1C Amb29866230 [0,1,0,1,0,0|1,0,1]=4 5296 B8R1.50 CC1OCC(=O)C1O Amb28131956 [0,1,0,1,0,0|1,0,1]=4 5297 B8R1.50 CN1C(=O)CCC1=O Amb6368854 [0,1,0,1,0,0|2,0,0]=4 5298 B8R1.50 CN1C(=O)CNC1=O Amb22002559 [0,1,0,1,0,0|2,0,0]=4 5299 B8R1.50 CN1C(=O)COC1=O Amb21927685 [0,1,0,1,0,0|1,0,0]=3 5300 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,1,0,1,0,0|1,1,0]=4 5301 B8R1.50 C[C@@H]1C(=O)CC[C@@H]1O Amb28253966 [0,1,0,1,0,0|1,0,1]=4 5302 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1N Amb28055949 [0,1,0,1,0,0|1,0,1]=4 5303 B8R1.50 C[C@@H]1COC(=O)[C@@H]1C Amb28411565 [0,1,0,1,0,0|1,0,1]=4 5304 B8R1.50 C[C@H]1C(=O)OC[C@H]1N Amb27635064 [0,1,0,1,0,0|1,0,1]=4 5305 B8R1.50 N=C1COC(=O)C1N Amb27839054 [0,1,0,1,0,0|1,0,0]=3 5306 B8R1.50 NC1=C(O)CCC1=O Amb27203866 [0,1,0,1,0,0|1,0,1]=4 5307 B8R1.50 NC1=C(O)COC1=O Amb27830449 [0,1,0,1,0,0|0,0,2]=4 5308 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,1,0,1,0,0|1,0,0]=3 5309 B8R1.50 NC1C(=O)NNC1=O Amb26392782 [0,1,0,1,0,0|2,0,0]=4 5310 B8R1.50 NN1C(=O)CCC1=O Amb24323275 [0,1,0,1,0,0|2,0,0]=4 5311 B8R1.50 NN1C(=O)CNC1=O Amb2795837 [0,1,0,1,0,0|2,0,0]=4 5312 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb24697759 [0,1,0,1,0,0|0,0,2]=4 5313 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb32751750 [0,1,0,1,0,0|0,0,2]=4 5314 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O Amb27202409 [0,1,0,1,0,0|0,0,2]=4 5315 B8R1.50 N[C@H]1C(=O)OC[C@@H]1O Amb27620425 [0,1,0,1,0,0|0,0,2]=4 5316 B8R1.50 O=C1CCC(=O)C1Br Amb10975590 [0,1,0,1,0,0|1,0,0]=3 5317 B8R1.50 O=C1CCC(=O)C1Cl Amb27471835 [0,1,0,1,0,0|1,0,0]=3 5318 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [0,1,0,1,0,0|1,0,0]=3 5319 B8R1.50 O=C1CCC(=O)N1Br Amb2685488 [0,1,0,1,0,0|2,0,0]=4 5320 B8R1.50 O=C1CCC(=O)N1Cl Amb6609006 [0,1,0,1,0,0|2,0,0]=4 5321 B8R1.50 O=C1CCC(=O)N1I Amb2688884 [0,1,0,1,0,0|2,0,0]=4 5322 B8R1.50 O=C1CCC(=O)N1O Amb1152089 [0,1,0,1,0,0|2,0,0]=4 5323 B8R1.50 O=C1CCC(O)=C1Br Amb25205766 [0,1,0,1,0,0|1,0,1]=4 5324 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [0,1,0,1,0,0|1,0,1]=4 5325 B8R1.50 O=C1CC[C@H](O)[C@@H]1O Amb28253888 [0,1,0,1,0,0|1,0,1]=4 5326 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,1,0,1,0,0|0,0,0]=2 5327 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,1,0,1,0,0|0,0,0]=2 5328 B8R1.50 O=C1NNC(=O)C1F Amb27268595 [0,1,0,1,0,0|2,0,0]=4 5329 B8R1.50 O=C1OC=C(O)C1Cl Amb28396605 [0,1,0,1,0,0|0,0,2]=4 5330 B8R1.50 O=C1OCC(Br)=C1Br Amb10067289 [0,1,0,1,0,0|1,0,1]=4 5331 B8R1.50 O=C1OCC(Cl)=C1Cl Amb24551013 [0,1,0,1,0,0|1,0,1]=4 5332 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [0,1,0,1,0,0|0,0,2]=4 5333 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [0,1,0,1,0,0|0,0,2]=4 5334 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [0,1,0,1,0,0|0,0,2]=4 5335 B8R1.50 O=C1OCC(O)C1O Amb22730078 [0,1,0,1,0,0|0,0,2]=4 5336 B8R1.50 O=C1OC[C@@H](O)[C@@H]1O Amb24609731 [0,1,0,1,0,0|0,0,2]=4 5337 B8R1.50 O=C1OC[C@@H](O)[C@H]1Br Amb32414616 [0,1,0,1,0,0|0,0,2]=4 5338 B8R1.50 O=C1OC[C@@H](O)[C@H]1O Amb8515014 [0,1,0,1,0,0|0,0,2]=4 5339 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br Amb10067848 [0,1,0,1,0,0|0,0,2]=4 5340 B8R1.50 O=C1OC[C@H](O)[C@@H]1O Amb27440225 [0,1,0,1,0,0|0,0,2]=4 5341 B8R1.50 O=C1OC[C@H](O)[C@H]1Br Amb27634828 [0,1,0,1,0,0|0,0,2]=4 5342 B8R1.50 O=C1OC[C@H](O)[C@H]1F Amb27775907 [0,1,0,1,0,0|0,0,2]=4 5343 B8R1.50 O=C1OC[C@H](O)[C@H]1O Amb15692412 [0,1,0,1,0,0|0,0,2]=4 5344 B8R1.50 O=C1ON=C(O)C1F Amb27193869 [0,1,0,1,0,0|1,0,1]=4 5345 B8R1.54 CC(C(=O)O)=C1CC1 Amb24450586 [0,1,0,1,0,0|1,0,1]=4 5346 B8R1.54 CC(C(=O)O)C1CC1 Amb33537630 [0,1,0,1,0,0|1,0,1]=4 5347 B8R1.54 C[C@@H](C(=O)O)C1CC1 Amb33732043 [0,1,0,1,0,0|1,0,1]=4 5348 B8R1.54 C[C@H](C(=O)O)C1CC1 Amb33744363 [0,1,0,1,0,0|1,0,1]=4 5349 B8R1.54 NC(C(=O)O)C1CC1 Amb19515010 [0,1,0,1,0,0|1,0,1]=4 5350 B8R1.54 NC(C(=O)O)C1CC1 Amb2696737 [0,1,0,1,0,0|1,0,1]=4 5351 B8R1.54 N[C@@H](C(=O)O)C1CC1 Amb2699141 [0,1,0,1,0,0|1,0,1]=4 5352 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb19929447 [0,1,0,1,0,0|1,0,1]=4 5353 B8R1.54 N[C@H](C(=O)O)C1CC1 Amb2694840 [0,1,0,1,0,0|1,0,1]=4 5354 B8R1.54 O=C(O)C(F)C1CC1 Amb25936979 [0,1,0,1,0,0|1,0,1]=4 5355 B8R1.54 O=C(O)C(O)C1CC1 Amb18282441 [0,1,0,1,0,0|1,0,1]=4 5356 B8R2.18 O=C1CC2OC2C1 Amb25050255 [0,0,0,2,0,0|1,0,1]=4 5357 B8R2.38 O=C1CCC2OC12 Amb28141441 [0,0,0,2,0,0|1,0,1]=4 5358 B8R2.38 O=C1OCC2CC12 Amb24113373 [0,0,0,2,0,0|1,0,1]=4 5359 B8R2.38 O=C1OC[C@H]2C[C@@H]12 Amb27421949 [0,0,0,2,0,0|1,0,1]=4 5360 B8R2.66 O=C(O)C12CC1C2 Amb24732235 [0,0,0,2,0,0|1,0,1]=4 5361 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,0,2|1,0,0]=3 5362 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [0,0,0,0,0,2|2,0,0]=4 5363 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [0,0,0,0,0,2|2,0,0]=4 5364 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [0,0,0,0,0,2|2,0,0]=4 5365 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [0,0,0,0,0,2|2,0,0]=4 5366 B8R0.28 C=C(C)CONC(C)=O Amb27813952 [0,0,0,0,0,2|2,0,0]=4 5367 B8R0.28 C=C(C)CONC(N)=O Amb27956555 [0,0,0,0,0,2|2,0,0]=4 5368 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,0,2|1,0,0]=3 5369 B8R0.28 C=C(C)CSCC(C)=O Amb27877304 [0,0,0,0,0,2|2,0,0]=4 5370 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,0,0,0,0,2|1,0,0]=3 5371 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,0,0,0,0,2|1,0,0]=3 5372 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,0,0,0,0,2|2,0,0]=4 5373 B8R0.28 C=C(Cl)CSCC(C)=O Amb28205790 [0,0,0,0,0,2|2,0,0]=4 5374 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,0,2|1,0,1]=4 5375 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [0,0,0,0,0,2|2,0,0]=4 5376 B8R0.28 CC(=O)CC=C=C(C)C Amb17593280 [0,0,0,0,0,2|2,0,0]=4 5377 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [0,0,0,0,0,2|2,0,0]=4 5378 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,2|0,0,0]=2 5379 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,0,2|1,0,0]=3 5380 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,0,2|1,0,0]=3 5381 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [0,0,0,0,0,2|1,0,1]=4 5382 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [0,0,0,0,0,2|1,0,0]=3 5383 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [0,0,0,0,0,2|1,0,0]=3 5384 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [0,0,0,0,0,2|2,0,0]=4 5385 B8R0.28 CC(=O)CNCC(C)O Amb24589662 [0,0,0,0,0,2|1,0,1]=4 5386 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,0,2|0,0,0]=2 5387 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,0,2|0,0,1]=3 5388 B8R0.28 CC(=O)CSCC(C)O Amb27215204 [0,0,0,0,0,2|1,0,1]=4 5389 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,0,2|1,0,0]=3 5390 B8R0.28 CC(=O)C\C=C\C(C)O Amb26528351 [0,0,0,0,0,2|1,0,1]=4 5391 B8R0.28 CC(=O)NCC=C(C)C Amb26606550 [0,0,0,0,0,2|2,0,0]=4 5392 B8R0.28 CC(=O)NCC=C(Cl)Cl Amb30011085 [0,0,0,0,0,2|2,0,0]=4 5393 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,0,2|0,0,0]=2 5394 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [0,0,0,0,0,2|1,0,0]=3 5395 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [0,0,0,0,0,2|1,1,0]=4 5396 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [0,0,0,0,0,2|1,0,0]=3 5397 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [0,0,0,0,0,2|1,0,0]=3 5398 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [0,0,0,0,0,2|1,0,0]=3 5399 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,0,0,0,0,2|0,0,0]=2 5400 B8R0.28 CC(=O)OCC=C(C)C Amb22002433 [0,0,0,0,0,2|2,0,0]=4 5401 B8R0.28 CC(=O)OCC=C(F)F Amb16186005 [0,0,0,0,0,2|2,0,0]=4 5402 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,0,2|0,0,0]=2 5403 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [0,0,0,0,0,2|1,0,1]=4 5404 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [0,0,0,0,0,2|1,0,0]=3 5405 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [0,0,0,0,0,2|2,0,0]=4 5406 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [0,0,0,0,0,2|1,0,1]=4 5407 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [0,0,0,0,0,2|2,0,0]=4 5408 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [0,0,0,0,0,2|1,0,1]=4 5409 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [0,0,0,0,0,2|1,0,0]=3 5410 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [0,0,0,0,0,2|1,0,0]=3 5411 B8R0.28 CC(=O)O[Cd]OC(C)=O Amb22350451 [0,0,0,0,0,2|2,0,0]=4 5412 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22052496 [0,0,0,0,0,2|2,0,0]=4 5413 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22338197 [0,0,0,0,0,2|2,0,0]=4 5414 B8R0.28 CC(=O)O[Fe]OC(C)=O Amb22338217 [0,0,0,0,0,2|2,0,0]=4 5415 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22051702 [0,0,0,0,0,2|2,0,0]=4 5416 B8R0.28 CC(=O)O[Pd]OC(C)=O Amb13890307 [0,0,0,0,0,2|2,0,0]=4 5417 B8R0.28 CC(=O)O[Sr]OC(C)=O Amb22348499 [0,0,0,0,0,2|2,0,0]=4 5418 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22351898 [0,0,0,0,0,2|2,0,0]=4 5419 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,0,0,0,0,2|0,0,1]=3 5420 B8R0.28 CC(=O)SCC=C(C)C Amb17617246 [0,0,0,0,0,2|2,0,0]=4 5421 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,0,0,0,0,2|1,0,0]=3 5422 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,0,2|0,0,0]=2 5423 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,0,0,0,0,2|0,0,1]=3 5424 B8R0.28 CC(=O)\C=C/C[N+](=O)[O-] Amb28322797 [0,0,0,0,0,2|1,0,1]=4 5425 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,0,0,0,0,2|1,0,1]=4 5426 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,0,0,0,0,2|0,0,0]=2 5427 B8R0.28 CC(=O)\C=C\C[N+](=O)[O-] Amb27444805 [0,0,0,0,0,2|1,0,1]=4 5428 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [0,0,0,0,0,2|1,0,1]=4 5429 B8R0.28 CC(=O)\N=C\NC(C)=O Amb24541273 [0,0,0,0,0,2|1,0,1]=4 5430 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,0,0,0,0,2|1,0,0]=3 5431 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,0,0,0,0,2|1,0,1]=4 5432 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [0,0,0,0,0,2|1,0,0]=3 5433 B8R0.28 CC(C)=NOCC(=O)Cl Amb27466545 [0,0,0,0,0,2|2,0,0]=4 5434 B8R0.28 CC(C)=NOCC(N)=O Amb27613522 [0,0,0,0,0,2|2,0,0]=4 5435 B8R0.28 CC(C)C#CCC(=O)O Amb26516061 [0,0,0,0,0,2|1,0,1]=4 5436 B8R0.28 CC(C)CC#CC(=O)O Amb28398479 [0,0,0,0,0,2|1,0,1]=4 5437 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [0,0,0,0,0,2|1,0,1]=4 5438 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [0,0,0,0,0,2|1,0,1]=4 5439 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [0,0,0,0,0,2|1,0,1]=4 5440 B8R0.28 CC(C)COCC(=O)O Amb2608476 [0,0,0,0,0,2|1,0,1]=4 5441 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [0,0,0,0,0,2|1,0,1]=4 5442 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,0,0,0,0,2|1,0,1]=4 5443 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [0,0,0,0,0,2|1,0,1]=4 5444 B8R0.28 CC(C)NCCC(=O)O Amb528114 [0,0,0,0,0,2|1,0,1]=4 5445 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [0,0,0,0,0,2|1,0,1]=4 5446 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [0,0,0,0,0,2|1,0,1]=4 5447 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,0,0,0,0,2|1,0,1]=4 5448 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [0,0,0,0,0,2|1,0,1]=4 5449 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [0,0,0,0,0,2|1,0,1]=4 5450 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [0,0,0,0,0,2|1,0,1]=4 5451 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [0,0,0,0,0,2|1,0,1]=4 5452 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,0,0,0,0,2|1,0,1]=4 5453 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,0,2|0,0,2]=4 5454 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [0,0,0,0,0,2|0,0,2]=4 5455 B8R0.28 CC(O)COCC(=O)O Amb27968624 [0,0,0,0,0,2|0,0,2]=4 5456 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,0,2|0,0,2]=4 5457 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [0,0,0,0,0,2|2,0,0]=4 5458 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [0,0,0,0,0,2|2,0,0]=4 5459 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,0,0,0,0,2|2,0,0]=4 5460 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,0,0,0,0,2|2,0,0]=4 5461 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,0,0,0,0,2|2,0,0]=4 5462 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,0,0,0,0,2|2,0,0]=4 5463 B8R0.28 CS(=O)CCNC(=O)Cl Amb35633190 [0,0,0,0,0,2|2,0,0]=4 5464 B8R0.28 CS(=O)NOCC(N)=O Amb28075566 [0,0,0,0,0,2|2,0,0]=4 5465 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,0,0,0,0,2|1,0,1]=4 5466 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,0,0,0,0,2|1,0,1]=4 5467 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,0,0,0,0,2|0,0,2]=4 5468 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [0,0,0,0,0,2|2,0,0]=4 5469 B8R0.28 C\C(Cl)=C/CNC(N)=O Amb27252067 [0,0,0,0,0,2|2,0,0]=4 5470 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,0,2|2,0,0]=4 5471 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [0,0,0,0,0,2|2,0,0]=4 5472 B8R0.28 N=C(N)NNCC(=O)O Amb27394477 [0,0,0,0,0,2|2,0,0]=4 5473 B8R0.28 N=C(N)NOCC(=O)O Amb27165927 [0,0,0,0,0,2|2,0,0]=4 5474 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,0,0,0,0,2|2,0,0]=4 5475 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,0,2|1,0,0]=3 5476 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,0,0,0,0,2|2,0,0]=4 5477 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [0,0,0,0,0,2|2,0,0]=4 5478 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,0,2|1,0,0]=3 5479 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [0,0,0,0,0,2|2,0,0]=4 5480 B8R0.28 NC(=O)CONC(N)=O Amb27172154 [0,0,0,0,0,2|2,0,0]=4 5481 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,2|1,0,0]=3 5482 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,0,2|2,0,0]=4 5483 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,0,2|1,0,0]=3 5484 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [0,0,0,0,0,2|1,0,0]=3 5485 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,0,0,0,0,2|1,0,1]=4 5486 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,0,0,0,0,2|1,0,1]=4 5487 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,2|1,0,1]=4 5488 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,0,2|1,0,0]=3 5489 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,0,2|1,1,0]=4 5490 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [0,0,0,0,0,2|1,1,0]=4 5491 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,0,0,0,0,2|1,1,0]=4 5492 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,0,2|2,0,0]=4 5493 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,0,2|2,0,0]=4 5494 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,2|1,0,1]=4 5495 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,0,2|1,0,0]=3 5496 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,0,2|2,0,0]=4 5497 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [0,0,0,0,0,2|2,0,0]=4 5498 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,0,2|1,0,0]=3 5499 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,0,2|1,0,0]=3 5500 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,0,2|1,0,0]=3 5501 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,0,2|1,0,0]=3 5502 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,0,2|1,0,0]=3 5503 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,0,2|1,0,0]=3