0 B10R0.15 CC(=O)CCCCS(=O)(=O)Cl Amb33076804 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.15 CC(=O)NCCCC(C)(F)F Amb27671453 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.15 CC(=O)NCCCC(F)(F)F Amb33552332 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.15 CC(=O)NCCCS(=O)(=O)Cl Amb27272438 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.15 CC(=O)NCCCS(=O)(=O)O Amb22735135 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.15 CC(=O)NCCCS(=O)(=O)O Amb32712087 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.15 CC(=O)NCCCS(=O)(=O)[O-] Amb8627679 [0,0,0,0,0,0|0,0,1]=1 7 B10R0.15 CC(=O)NCCCS(N)(=O)=O Amb18181109 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.15 CC(=O)NCCNS(C)(=O)=O Amb27818379 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.15 CC(=O)NCCOP(=O)(O)O Amb25385968 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.15 CC(=O)NNCCS(=O)(=O)O Amb27266493 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.15 CC(=O)OCCCS(=O)(=O)Cl Amb33473157 [0,0,0,0,0,0|2,0,0]=2 12 B10R0.15 CC(=O)OCCCS(=O)(=O)F Amb32718269 [0,0,0,0,0,0|2,0,0]=2 13 B10R0.15 CC(=O)\C=C\CCS(C)(=O)=O Amb33053969 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.15 CC(C)CCCCS(=O)(=O)Cl Amb31132723 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.15 CC(C)CCCCS(=O)(=O)F Amb33352233 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.15 CC(C)CCCCS(N)(=O)=O Amb32691869 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.15 CC(C)NCCCS(=O)(=O)F Amb33463781 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.15 CC(C)OCCCS(=O)(=O)Cl Amb32715246 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.15 CC(C)OCCCS(N)(=O)=O Amb32715423 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.15 CC(N)CCCCS(=O)(=O)F Amb33463881 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.15 CN(C)CCCCS(=O)(=O)Cl Amb32667952 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.15 CN(C)CCCCS(=O)(=O)Cl Amb33292543 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.15 CN(C)CCCCS(=O)(=O)F Amb32718666 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.15 CN(C)CCCCS(N)(=O)=O Amb32715420 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.15 CS(=O)(=O)CCCCC(=O)O Amb17503797 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.15 CS(=O)(=O)CCCCS(=O)Cl Amb32720970 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.15 CS(=O)(=O)CCCCS(=O)[O-] Amb32755738 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.15 CS(=O)(=O)CCCCS(N)=O Amb32720971 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.15 CS(=O)(=O)CCCNC(N)=O Amb18809314 [0,0,0,0,0,0|2,0,0]=2 30 B10R0.15 CS(=O)(=O)CCCNC(N)=S Amb18330669 [0,0,0,0,0,0|2,1,0]=3 31 B10R0.15 CS(=O)(=O)CC\C=C\C(=O)O Amb33053770 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.15 CS(=O)(=O)NCCCC(=O)O Amb1112006 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.15 CS(=O)(=O)NCCCC(=O)[O-] Amb33548839 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.15 N=C(N)SCCCS(=O)(=O)O Amb4017676 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.15 NC(=O)CNCCS(=O)(=O)O Amb2720568 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.15 NC(=O)NCCCS(N)(=O)=O Amb18181310 [0,0,0,0,0,0|2,0,0]=2 37 B10R0.15 NS(=O)(=O)CCCCS(=O)Cl Amb32720946 [0,0,0,0,0,0|4,0,0]=4 38 B10R0.15 NS(=O)(=O)CCCCS(=O)[O-] Amb32755753 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.15 NS(=O)CCCCS(=O)(=O)F Amb32720784 [0,0,0,0,0,0|4,0,0]=4 40 B10R0.15 NS(=O)CCCCS(N)(=O)=O Amb32720951 [0,0,0,0,0,0|4,0,0]=4 41 B10R0.15 O=C(O)CCCCP(=O)(O)O Amb3371884 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.15 O=C(O)CCCCS(=O)(=O)O Amb32663857 [0,0,0,0,0,0|2,0,0]=2 43 B10R0.15 O=C(O)\C=C\CCS(=O)(=O)Cl Amb27272421 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.15 O=S(Cl)CCCCS(=O)(=O)F Amb32720783 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.38 C=CCCCCS(=O)(=O)Cl Amb25779868 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.38 CCCCCCS(=O)(=O)Cl Amb2688722 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.38 CCCCCCS(=O)(=O)F Amb33352465 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.38 CCCCCCS(=O)(=O)O Amb25138206 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.38 CCCCCCS(=O)(=O)[O-] Amb6366783 [1,0,0,0,0,0|1,0,2]=4 50 B9R0.38 CCCCCCS(=O)(=O)[O-] Amb8396881 [1,0,0,0,0,0|1,0,2]=4 51 B9R0.38 CCCCCCS(N)(=O)=O Amb16191920 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.38 CCCNCCS(=O)(=O)O Amb27866270 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.38 CCNCCCS(=O)(=O)F Amb33463920 [1,0,0,0,0,0|1,0,1]=3 54 B9R0.38 CCNCCSS(=O)(=O)O Amb26868861 [1,0,0,0,0,0|1,0,1]=3 55 B9R0.38 CCOCCCS(=O)(=O)Cl Amb25756682 [1,0,0,0,0,0|2,0,1]=4 56 B9R0.38 CCOCCCS(=O)(=O)F Amb26951899 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.38 CCOCCCS(N)(=O)=O Amb24617117 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.38 CCOCCOS(=O)(=O)O Amb28061014 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.38 CNCCCCS(=O)(=O)F Amb33463937 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.38 CNCCCCS(N)(=O)=O Amb28126742 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.38 COCCCCS(=O)(=O)Cl Amb26447071 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.38 COCCCCS(=O)(=O)F Amb26421601 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.38 COCCCCS(N)(=O)=O Amb25810707 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.38 CONCCCS(C)(=O)=O Amb27834163 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.38 CONCCCS(N)(=O)=O Amb27780314 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.38 CS(=O)(=O)CCCN=C=O Amb24529234 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.38 CS(=O)(=O)CC\C=C\C=O Amb33053948 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.38 CSCCCCS(C)(=O)=O Amb28049770 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.38 C\C=C\CCNS(C)(=O)=O Amb27823075 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.38 NCCCCCS(=O)(=O)O Amb28325598 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.38 O=CCCCCS(=O)(=O)[O-] Amb27226993 [1,0,0,0,0,0|1,0,1]=3 72 B9R0.38 [N-]=[N+]=NCCCS(=O)(=O)O Amb28240399 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.55 CC(=O)CCCNS(C)=O Amb27774835 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.55 CC(=O)NCCCC(=N)N Amb27461138 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,0|1,0,0]=2 85 B9R0.55 CC(=O)NCCCC(C)O Amb28076577 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.55 CC(=O)NCCCN(C)C Amb3358094 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.55 CC(=O)NCCCS(C)=O Amb27786571 [1,0,0,0,0,0|1,0,1]=3 88 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [1,0,0,0,0,0|1,0,2]=4 91 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.55 CC(=O)OCCCS(=O)Cl Amb32720405 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.55 CC(=O)OCCCS(=O)[O-] Amb32754824 [1,0,0,0,0,0|1,0,2]=4 95 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.55 CC(=O)OCCC[C@@H](C)O Amb27775430 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.55 CC(C)NCCCC(=O)O Amb1111231 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.55 CC(C)NCCCC(=O)O Amb528115 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.55 NC(=O)NCCCB(O)O Amb28198903 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [1,0,0,0,0,0|2,1,0]=4 108 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.34 CC(=O)NCC(O)CS(C)(=O)=O Amb33100670 [0,1,0,0,0,0|1,0,0]=2 113 B11R0.114 C=CC(=O)OCCCS(=O)(=O)O Amb34915841 [0,1,0,0,0,0|1,0,1]=3 114 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl Amb30628521 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.114 COC(=O)CCCCS(N)(=O)=O Amb32715470 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.114 COC(=O)NCCCC(C)(C)O Amb24095878 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.114 CS(=O)(=O)OCCCC(=O)CCl Amb27178075 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.114 O=C(CCl)NCCC[Si](O)(O)O Amb32723127 [0,1,0,0,0,0|1,0,2]=4 119 B11R0.127 CCS(=O)(=O)CCCCC(=O)O Amb9303293 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.199 CC(C)(C)NCCCS(=O)(=O)F Amb33463828 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)Cl Amb32679273 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)F Amb32719203 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.199 CS(=O)(=O)CCCCS(N)(=O)=O Amb32680400 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.199 CS(=O)(=O)CCCOS(C)(=O)=O Amb21964633 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.199 CS(=O)(=O)NCCNS(C)(=O)=O Amb11231631 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.199 O=S(=O)(O)CCCCS(=O)(=O)O Amb22233688 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.318 C=C(C)C(=O)OCCS(=O)(=O)O Amb17934148 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.318 CC(=O)C(Cl)CCOS(C)(=O)=O Amb27798374 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.318 CC(=O)N(O)CCCP(=O)([O-])O Amb17614624 [0,1,0,0,0,0|1,0,1]=3 130 B11R0.318 CS(=O)(=O)CCCC(N)C(=O)O Amb18189488 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.318 CS(=O)(=O)CCCC(N)C(N)=O Amb33036703 [0,1,0,0,0,0|3,0,0]=4 132 B11R0.318 CS(=O)(=O)CCC[C@@H](N)C(=O)O Amb32789421 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.318 CS(=O)(=O)CCC[C@H](N)C(=O)O Amb33308913 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.318 NC(=O)C(N)CCCS(=O)(=O)O Amb33308757 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.318 NC(CCCS(=O)(=O)O)C(=O)O Amb33066081 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.318 N[C@@H](CCCS(=O)(=O)O)C(=O)O Amb33066176 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.318 N[C@H](CCCS(=O)(=O)O)C(=O)O Amb33065642 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.76 CS(=N)(=O)NC1CNC(=O)C1 Amb35730176 [0,0,0,1,0,0|3,0,0]=4 139 B11R1.76 CS(=O)(=O)CC1CNC(=O)C1 Amb33056002 [0,0,0,1,0,0|1,0,0]=2 140 B11R1.76 CS(=O)(=O)CC1CNC(=O)O1 Amb33058063 [0,0,0,1,0,0|2,0,0]=3 141 B11R1.76 CS(=O)(=O)CC1COC(=O)N1 Amb33223929 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.76 CS(=O)(=O)C[C@@H]1CCC(=O)N1 Amb27646462 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.76 CS(=O)(=O)O[C@@H]1CNC(=O)C1 Amb27469762 [0,0,0,1,0,0|2,0,0]=3 144 B11R1.76 NS(=O)(=O)CC1CNC(=O)C1 Amb26406043 [0,0,0,1,0,0|1,0,0]=2 145 B11R1.76 NS(=O)(=O)CC1CNC(=O)O1 Amb25788421 [0,0,0,1,0,0|2,0,0]=3 146 B11R1.76 NS(=O)(=O)NC1CNC(=O)C1 Amb27469234 [0,0,0,1,0,0|2,0,0]=3 147 B11R1.76 O=C1CC(CS(=O)(=O)Cl)CN1 Amb24656371 [0,0,0,1,0,0|1,0,0]=2 148 B11R1.76 O=C1CC(CS(=O)(=O)Cl)CO1 Amb27437978 [0,0,0,1,0,0|2,0,0]=3 149 B11R1.76 O=C1CC(CS(=O)(=O)O)=NN1 Amb27593012 [0,0,0,1,0,0|1,0,1]=3 150 B11R1.76 O=C1CCC(CS(=O)(=O)F)N1 Amb32651004 [0,0,0,1,0,0|3,0,0]=4 151 B11R1.76 O=S(=O)(O)CC1CCC(O)C1 Amb24653599 [0,0,0,1,0,0|1,0,2]=4 152 B11R1.76 O=S(=O)(O)C[C@@H]1CC[C@@H](O)C1 Amb25175032 [0,0,0,1,0,0|1,0,2]=4 153 B11R1.76 O=S(=O)(O)C[C@H]1CC[C@@H](O)C1 Amb27956119 [0,0,0,1,0,0|1,0,2]=4 154 B11R1.155 CS(=N)(=O)N1CCNC(=O)C1 Amb35729892 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.155 CS(=O)(=O)C1CCCC(=O)C1 Amb25151304 [0,0,0,1,0,0|2,0,0]=3 156 B11R1.155 CS(=O)(=O)N1CCCC(=O)C1 Amb25104394 [0,0,0,1,0,0|3,0,0]=4 157 B11R1.155 CS(=O)(=O)N1CCNC(=O)C1 Amb18809054 [0,0,0,1,0,0|2,0,0]=3 158 B11R1.155 NC1CCCC(S(=O)(=O)O)C1 Amb28245760 [0,0,0,1,0,0|2,0,1]=4 159 B11R1.155 NS(=O)(=O)N1CCCC(=O)C1 Amb27823706 [0,0,0,1,0,0|3,0,0]=4 160 B11R1.155 NS(=O)(=O)N1CCNC(=O)C1 Amb8841879 [0,0,0,1,0,0|2,0,0]=3 161 B11R1.155 N[C@@H]1CCC[C@@H](S(=O)(=O)O)C1 Amb27631340 [0,0,0,1,0,0|2,0,1]=4 162 B11R1.155 O=S(=O)(O)[C@@H]1CCC[C@H](O)C1 Amb28319780 [0,0,0,1,0,0|1,0,2]=4 163 B11R1.343 O=S(=O)(F)CCCNC1CC1 Amb33463826 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.546 CC1(O)CCCNC(=O)CC1 Amb27174229 [0,0,0,1,0,0|3,0,0]=4 165 B11R1.577 CS(=O)(=O)OCC1CC(=O)N1 Amb24486073 [0,0,0,1,0,0|2,0,0]=3 166 B11R1.577 CS(=O)(=O)OC[C@@H]1CC(=O)N1 Amb28241357 [0,0,0,1,0,0|2,0,0]=3 167 B11R1.705 CS(=O)(=O)CC1CC1C(=O)O Amb33056354 [0,0,0,1,0,0|3,0,0]=4 168 B11R1.705 CS(=O)(=O)C[C@@H]1C[C@H]1C(=O)O Amb33056355 [0,0,0,1,0,0|3,0,0]=4 169 B11R1.705 NC(=O)[C@@H]1C[C@H]1CS(N)(=O)=O Amb33229823 [0,0,0,1,0,0|3,0,0]=4 170 B11R1.705 O=C(O)C1CC1CS(=O)(=O)Cl Amb27831066 [0,0,0,1,0,0|3,0,0]=4 171 B11R1.710 CC(=N)SC1CCS(=O)(=O)C1 Amb23503263 [0,0,0,1,0,0|3,0,0]=4 172 B11R1.710 CC(=O)CC1CCS(=O)(=O)C1 Amb8836766 [0,0,0,1,0,0|2,0,0]=3 173 B11R1.710 CC(=O)NC1C=CS(=O)(=O)C1 Amb5716920 [0,0,0,1,0,0|1,0,2]=4 174 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 Amb5716929 [0,0,0,1,0,0|1,0,0]=2 175 B11R1.710 CC(=O)OC1CCS(=O)(=O)C1 Amb752315 [0,0,0,1,0,0|2,0,0]=3 176 B11R1.710 CC(=O)SC1CCS(=O)(=O)C1 Amb1144764 [0,0,0,1,0,0|2,0,0]=3 177 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 Amb3319337 [0,0,0,1,0,0|2,0,1]=4 178 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 Amb9710114 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.710 CN(C)NC1CCS(=O)(=O)C1 Amb4234105 [0,0,0,1,0,0|3,0,0]=4 180 B11R1.710 CN(C)NC1CCS(=O)(=O)C1 Amb583601 [0,0,0,1,0,0|3,0,0]=4 181 B11R1.710 NC(=O)CC1CCS(=O)(=O)C1 Amb4324912 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.710 NC(=O)NC1CCS(=O)(=O)C1 Amb1153033 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.710 NC(=S)NC1CCS(=O)(=O)C1 Amb583141 [0,0,0,1,0,0|2,1,0]=4 184 B11R1.710 O=C(Cl)NC1CCS(=O)(=O)C1 Amb35636930 [0,0,0,1,0,0|2,0,0]=3 185 B11R1.710 O=C(Cl)OC1CCS(=O)(=O)C1 Amb2793192 [0,0,0,1,0,0|3,0,0]=4 186 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Amb1154428 [0,0,0,1,0,0|3,0,0]=4 187 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 Amb24595350 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.710 O=C([S-])NC1CCS(=O)(=O)C1 Amb23554325 [0,0,0,1,0,0|2,0,0]=3 189 B11R1.710 O=C([S-])NC1CCS(=O)(=O)C1 Amb2793331 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.710 O=C([S-])NC1CCS(=O)(=O)C1 Amb9835338 [0,0,0,1,0,0|2,0,0]=3 191 B11R1.710 O=S1(=O)CCC(NC(=S)S)C1 Amb22041452 [0,0,0,1,0,0|2,1,0]=4 192 B11R1.710 O=S1(=O)CCC(NC(=S)[S-])C1 Amb2793193 [0,0,0,1,0,0|2,1,0]=4 193 B11R1.730 CC(=O)C1CCCS(=O)(=O)C1 Amb28125990 [0,0,0,1,0,0|2,0,0]=3 194 B11R1.730 O=C(O)C1=CS(=O)(=O)CCC1 Amb25241202 [0,0,0,1,0,0|3,0,0]=4 195 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 Amb15701364 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.730 O=C(O)[C@@H]1CCCS(=O)(=O)C1 Amb27607684 [0,0,0,1,0,0|3,0,0]=4 197 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 Amb27945434 [0,0,0,1,0,0|3,0,0]=4 198 B9R0.56 C=C(C)CCOS(C)(=O)=O Amb28352237 [0,0,0,0,1,0|3,0,0]=4 199 B9R0.56 CC(=O)CCCC(C)(C)O Amb17593627 [0,0,0,0,1,0|3,0,0]=4 200 B9R0.56 CC(=O)CCCS(=O)(=O)Cl Amb33076751 [0,0,0,0,1,0|1,0,0]=2 201 B9R0.56 CC(=O)CCCS(C)(=O)=O Amb18180080 [0,0,0,0,1,0|1,0,0]=2 202 B9R0.56 CC(=O)CCNS(C)(=O)=O Amb17102926 [0,0,0,0,1,0|2,0,0]=3 203 B9R0.56 CC(=O)NCCS(=O)(=O)O Amb26916542 [0,0,0,0,1,0|0,0,0]=1 204 B9R0.56 CC(=O)NCCS(=O)(=O)[O-] Amb31031083 [0,0,0,0,1,0|0,0,1]=2 205 B9R0.56 CC(=O)NCCS(C)(=O)=O Amb16971455 [0,0,0,0,1,0|1,0,0]=2 206 B9R0.56 CC(=O)NCCS(N)(=O)=O Amb33536942 [0,0,0,0,1,0|1,0,0]=2 207 B9R0.56 CC(=O)OCCS(=O)(=O)Cl Amb18062586 [0,0,0,0,1,0|2,0,0]=3 208 B9R0.56 CC(=O)OCCS(=O)(=O)F Amb32718400 [0,0,0,0,1,0|2,0,0]=3 209 B9R0.56 CC(=O)OCCS(C)(=O)=O Amb28289177 [0,0,0,0,1,0|2,0,0]=3 210 B9R0.56 CC(=O)SCCS(=O)(=O)Cl Amb27398626 [0,0,0,0,1,0|2,0,0]=3 211 B9R0.56 CC(=O)SCCS(=O)(=O)O Amb21857874 [0,0,0,0,1,0|1,0,0]=2 212 B9R0.56 CC(=O)\C=C\CS(C)(=O)=O Amb33055964 [0,0,0,0,1,0|1,0,2]=4 213 B9R0.56 CC(Br)CCCS(C)(=O)=O Amb24513822 [0,0,0,0,1,0|2,0,1]=4 214 B9R0.56 CC(C)=CCCS(=O)(=O)Cl Amb32667983 [0,0,0,0,1,0|2,0,1]=4 215 B9R0.56 CC(C)=CCCS(N)(=O)=O Amb30024156 [0,0,0,0,1,0|2,0,1]=4 216 B9R0.56 CC(C)CCCS(=O)(=O)Cl Amb24478902 [0,0,0,0,1,0|2,0,1]=4 217 B9R0.56 CC(C)CCCS(=O)(=O)F Amb32717696 [0,0,0,0,1,0|2,0,1]=4 218 B9R0.56 CC(C)CCCS(N)(=O)=O Amb24479274 [0,0,0,0,1,0|2,0,1]=4 219 B9R0.56 CC(C)CNCS(=O)(=O)O Amb27426840 [0,0,0,0,1,0|2,0,1]=4 220 B9R0.56 CC(C)NCCS(=O)(=O)F Amb33463760 [0,0,0,0,1,0|2,0,1]=4 221 B9R0.56 CC(C)NCCS(C)(=O)=O Amb18800964 [0,0,0,0,1,0|2,0,1]=4 222 B9R0.56 CC(Cl)CCCS(=O)(=O)Cl Amb27881538 [0,0,0,0,1,0|2,0,1]=4 223 B9R0.56 CC(N)CCCS(=O)(=O)F Amb33463868 [0,0,0,0,1,0|2,0,1]=4 224 B9R0.56 CC(N)CCCS(C)(=O)=O Amb19029752 [0,0,0,0,1,0|2,0,1]=4 225 B9R0.56 CC(O)CCCS(C)(=O)=O Amb18801118 [0,0,0,0,1,0|1,0,2]=4 226 B9R0.56 CN(C)CCCS(=O)(=O)Cl Amb23450134 [0,0,0,0,1,0|3,0,0]=4 227 B9R0.56 CN(C)CCCS(=O)(=O)Cl Amb32664255 [0,0,0,0,1,0|3,0,0]=4 228 B9R0.56 CN(C)CCCS(=O)(=O)F Amb32718497 [0,0,0,0,1,0|3,0,0]=4 229 B9R0.56 CN(C)CCCS(N)(=O)=O Amb24591471 [0,0,0,0,1,0|3,0,0]=4 230 B9R0.56 CN(C)CCOS(=O)(=O)O Amb19988267 [0,0,0,0,1,0|3,0,0]=4 231 B9R0.56 CN(C)NCCS(C)(=O)=O Amb27754254 [0,0,0,0,1,0|3,0,0]=4 232 B9R0.56 CN(O)CCCS(C)(=O)=O Amb33053752 [0,0,0,0,1,0|2,0,1]=4 233 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [0,0,0,0,1,0|3,0,0]=4 234 B9R0.56 CS(=O)(=O)CCCC(=N)N Amb27171016 [0,0,0,0,1,0|3,0,0]=4 235 B9R0.56 CS(=O)(=O)CCCC(=O)Cl Amb27865991 [0,0,0,0,1,0|2,0,0]=3 236 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [0,0,0,0,1,0|2,0,0]=3 237 B9R0.56 CS(=O)(=O)CCCC(N)=S Amb26913835 [0,0,0,0,1,0|2,1,0]=4 238 B9R0.56 CS(=O)(=O)CCCS(=O)Cl Amb32720482 [0,0,0,0,1,0|3,0,0]=4 239 B9R0.56 CS(=O)(=O)CCCS(=O)[O-] Amb32755129 [0,0,0,0,1,0|3,0,0]=4 240 B9R0.56 CS(=O)(=O)CCCS(N)=O Amb32720483 [0,0,0,0,1,0|3,0,0]=4 241 B9R0.56 CS(=O)(=O)CCC[N+](=O)[O-] Amb33056336 [0,0,0,0,1,0|3,0,0]=4 242 B9R0.56 CS(=O)(=O)CCNC(=O)Cl Amb35625803 [0,0,0,0,1,0|2,0,0]=3 243 B9R0.56 CS(=O)(=O)NCCC(=O)Cl Amb5742641 [0,0,0,0,1,0|3,0,0]=4 244 B9R0.56 CS(=O)(=O)NCCC(=O)O Amb33536611 [0,0,0,0,1,0|3,0,0]=4 245 B9R0.56 CS(=O)(=O)NCCC(N)=O Amb17232584 [0,0,0,0,1,0|3,0,0]=4 246 B9R0.56 CS(=O)(=O)SCCC(=O)O Amb10071647 [0,0,0,0,1,0|3,0,0]=4 247 B9R0.56 CS(=O)CCNS(C)(=O)=O Amb27826776 [0,0,0,0,1,0|3,0,0]=4 248 B9R0.56 CS(=O)CCNS(N)(=O)=O Amb28140351 [0,0,0,0,1,0|3,0,0]=4 249 B9R0.56 C[C@@H](N)CCCS(C)(=O)=O Amb33055790 [0,0,0,0,1,0|2,0,1]=4 250 B9R0.56 C[C@@H](O)CCCS(C)(=O)=O Amb33055767 [0,0,0,0,1,0|1,0,2]=4 251 B9R0.56 C[C@H](N)CCCS(C)(=O)=O Amb33055791 [0,0,0,0,1,0|2,0,1]=4 252 B9R0.56 C[C@H](O)CCCS(C)(=O)=O Amb33055789 [0,0,0,0,1,0|1,0,2]=4 253 B9R0.56 N=C(N)CCSS(=O)(=O)O Amb28239658 [0,0,0,0,1,0|3,0,0]=4 254 B9R0.56 N=C(N)NCCS(N)(=O)=O Amb18798480 [0,0,0,0,1,0|3,0,0]=4 255 B9R0.56 N=C(N)SCCS(=O)(=O)O Amb22002020 [0,0,0,0,1,0|3,0,0]=4 256 B9R0.56 NC(=O)CCCS(=O)(=O)Cl Amb27624625 [0,0,0,0,1,0|2,0,0]=3 257 B9R0.56 NC(=O)CCOS(=O)(=O)O Amb27879199 [0,0,0,0,1,0|2,0,0]=3 258 B9R0.56 NC(=O)NCCS(=O)(=O)O Amb24710318 [0,0,0,0,1,0|1,0,0]=2 259 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [0,0,0,0,1,0|2,0,0]=3 260 B9R0.56 NS(=O)(=O)CCCC(=O)[O-] Amb33513058 [0,0,0,0,1,0|2,0,0]=3 261 B9R0.56 NS(=O)(=O)NCCC(=O)O Amb6263261 [0,0,0,0,1,0|3,0,0]=4 262 B9R0.56 NS(=O)CCCS(=O)(=O)F Amb32720633 [0,0,0,0,1,0|3,0,0]=4 263 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [0,0,0,0,1,0|2,0,0]=3 264 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [0,0,0,0,1,0|1,0,0]=2 265 B9R0.56 O=C(O)\C=C\CS(=O)(=O)O Amb25185208 [0,0,0,0,1,0|1,0,2]=4 266 B9R0.56 O=S(Cl)CCCS(=O)(=O)F Amb32720632 [0,0,0,0,1,0|3,0,0]=4 267 B11R0.31 CC(C)=CCCCOS(C)(=O)=O Amb28421784 [0,0,0,0,0,1|3,0,0]=4 268 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Amb28653063 [0,0,0,0,0,1|3,0,0]=4 269 B8R0.7 C=NCCCNC(C)=O Amb27950176 [2,0,0,0,0,0|2,0,0]=4 270 B8R0.7 CC(=O)CCCCCO Amb27237283 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.7 CC(=O)NCCCC#N Amb28049789 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.7 CC(=O)NCCCCCl Amb25883586 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.7 CC(=O)NCCCCF Amb27180576 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.7 CC(=O)NCCCCI Amb27768800 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.7 CC(=O)NCCCCN Amb17053700 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.7 CC(=O)NCCCCO Amb17102977 [2,0,0,0,0,0|1,0,0]=3 277 B8R0.7 CC(=O)NCCCON Amb17138378 [2,0,0,0,0,0|1,1,0]=4 278 B8R0.7 CC(=O)NCCCON Amb6308549 [2,0,0,0,0,0|1,1,0]=4 279 B8R0.7 CC(=O)NCCSN=O Amb27423715 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.7 CC(=O)NOCCCO Amb28205723 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.7 CC(=O)OCCCCO Amb25714960 [2,0,0,0,0,0|2,0,0]=4 282 B8R0.7 CC(=O)SCCCC=O Amb22524698 [2,0,0,0,0,0|2,0,0]=4 283 B8R0.7 CC(O)CCCNC=O Amb28318284 [2,0,0,0,0,0|2,0,0]=4 284 B8R0.7 CCNCCCC(=O)O Amb30585148 [2,0,0,0,0,0|1,0,1]=4 285 B8R0.7 CCNCCCC(=O)O Amb6253896 [2,0,0,0,0,0|1,0,1]=4 286 B8R0.7 CNCCCNC(C)=O Amb33547919 [2,0,0,0,0,0|2,0,0]=4 287 B8R0.7 CNCCCNC(C)=O Amb34913785 [2,0,0,0,0,0|2,0,0]=4 288 B8R0.7 CNCCCNC(C)=O Amb9464418 [2,0,0,0,0,0|2,0,0]=4 289 B8R0.7 COCCCNC(C)=O Amb3358083 [2,0,0,0,0,0|1,1,0]=4 290 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [2,0,0,0,0,0|2,0,0]=4 291 B8R0.7 O=CCCCCC(=O)O Amb18642763 [2,0,0,0,0,0|2,0,0]=4 292 B8R0.7 O=CNCCCC(=O)O Amb18305404 [2,0,0,0,0,0|1,0,0]=3 293 B8R0.7 O=COCCCC(=O)O Amb27217713 [2,0,0,0,0,0|2,0,0]=4 294 B8R0.21 C=CCCCS(=O)(=O)Cl Amb18224408 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.21 C=CCCCS(=O)(=O)F Amb25821976 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.21 C=CCCCS(N)(=O)=O Amb19515400 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.21 C=CCNCS(=O)(=O)O Amb28285132 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.21 CCCCCS(=O)(=O)Cl Amb2690082 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.21 CCCCCS(=O)(=O)F Amb32718322 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.21 CCCCCS(=O)(=O)O Amb10844728 [2,0,0,0,0,0|0,0,1]=3 301 B8R0.21 CCCCCS(=O)(=O)[O-] Amb2690072 [2,0,0,0,0,0|0,0,2]=4 302 B8R0.21 CCCCCS(=O)(=O)[O-] Amb4025819 [2,0,0,0,0,0|0,0,2]=4 303 B8R0.21 CCCCCS(C)(=O)=O Amb27455782 [2,0,0,0,0,0|1,0,1]=4 304 B8R0.21 CCCCCS(N)(=O)=O Amb16191925 [2,0,0,0,0,0|1,0,1]=4 305 B8R0.21 CCCCNS(=O)(=O)O Amb4018979 [2,0,0,0,0,0|1,0,1]=4 306 B8R0.21 CCCCOS(=O)(=O)O Amb22169780 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.21 CCNCCS(=O)(=O)F Amb33463757 [2,0,0,0,0,0|1,0,1]=4 308 B8R0.21 CCNCCS(C)(=O)=O Amb18523815 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.21 CNCCCS(=O)(=O)F Amb33463799 [2,0,0,0,0,0|1,0,0]=3 310 B8R0.21 CNCCCS(C)(=O)=O Amb18304934 [2,0,0,0,0,0|1,0,0]=3 311 B8R0.21 CNCCCS(C)(=O)=O Amb33527631 [2,0,0,0,0,0|1,0,0]=3 312 B8R0.21 CNCCNS(C)(=O)=O Amb19410469 [2,0,0,0,0,0|2,0,0]=4 313 B8R0.21 CNCCNS(C)(=O)=O Amb9408146 [2,0,0,0,0,0|2,0,0]=4 314 B8R0.21 CNCCOS(=O)(=O)O Amb27412361 [2,0,0,0,0,0|1,0,0]=3 315 B8R0.21 CNCCOS(C)(=O)=O Amb27657408 [2,0,0,0,0,0|2,0,0]=4 316 B8R0.21 CNCCSS(=O)(=O)O Amb25772807 [2,0,0,0,0,0|1,0,0]=3 317 B8R0.21 COCCCS(=O)(=O)Cl Amb18538494 [2,0,0,0,0,0|2,0,0]=4 318 B8R0.21 COCCCS(=O)(=O)F Amb20623730 [2,0,0,0,0,0|2,0,0]=4 319 B8R0.21 COCCCS(=O)(=O)O Amb22523485 [2,0,0,0,0,0|1,0,0]=3 320 B8R0.21 COCCCS(C)(=O)=O Amb27968921 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.21 COCCCS(N)(=O)=O Amb18791542 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.21 CONCCS(C)(=O)=O Amb27206992 [2,0,0,0,0,0|2,0,0]=4 323 B8R0.21 CS(=O)(=O)CCCC=O Amb18181110 [2,0,0,0,0,0|1,0,0]=3 324 B8R0.21 CS(=O)(=O)CCCNN Amb21618681 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.21 CS(=O)(=O)CCCNO Amb33053745 [2,0,0,0,0,0|1,0,1]=4 326 B8R0.21 CS(=O)(=O)NCCC=O Amb17102226 [2,0,0,0,0,0|2,0,0]=4 327 B8R0.21 CSCCCS(=O)(=O)Cl Amb25922338 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.21 CSCCCS(=O)(=O)F Amb33076644 [2,0,0,0,0,0|2,0,0]=4 329 B8R0.21 CSCCCS(C)(=O)=O Amb27838088 [2,0,0,0,0,0|2,0,0]=4 330 B8R0.21 CSCCCS(N)(=O)=O Amb25032148 [2,0,0,0,0,0|2,0,0]=4 331 B8R0.21 N#CCCCS(=O)(=O)O Amb24428958 [2,0,0,0,0,0|1,0,1]=4 332 B8R0.21 NCCCCS(=O)(=O)O Amb28285138 [2,0,0,0,0,0|1,0,1]=4 333 B8R0.21 NNCCCS(=O)(=O)O Amb28043284 [2,0,0,0,0,0|1,0,0]=3 334 B8R0.21 O=CCCCP(=O)(O)O Amb28143994 [2,0,0,0,0,0|1,0,1]=4 335 B8R0.21 O=CNCCS(=O)(=O)[O-] Amb28051728 [2,0,0,0,0,0|0,0,1]=3 336 B8R0.21 O=S(=O)(O)CCCCO Amb25945104 [2,0,0,0,0,0|0,0,2]=4 337 B8R0.21 O=S(=O)(O)CCCCS Amb26556587 [2,0,0,0,0,0|0,1,1]=4 338 B10R0.109 CC(COS(C)(=O)=O)NC=O Amb27876245 [1,1,0,0,0,0|2,0,0]=4 339 B10R0.55 C#CC(=O)NCCCC(=O)O Amb6278585 [1,1,0,0,0,0|1,0,1]=4 340 B10R0.55 C=CC(=O)NCCCC(=O)O Amb6264090 [1,1,0,0,0,0|1,0,1]=4 341 B10R0.55 CC(=O)NCCC\C(N)=N\O Amb18182415 [1,1,0,0,0,0|2,0,0]=4 342 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [1,1,0,0,0,0|2,0,0]=4 343 B10R0.55 CNC(=O)CCCCC(=O)O Amb9390746 [1,1,0,0,0,0|2,0,0]=4 344 B10R0.55 CNC(=O)CCCNC(C)=O Amb27673634 [1,1,0,0,0,0|2,0,0]=4 345 B10R0.55 CNC(=O)NCCCC(=O)O Amb18305512 [1,1,0,0,0,0|1,0,0]=3 346 B10R0.55 CNC(=O)NCCCC(C)=O Amb27269776 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.55 CNC(=O)NCCCC(C)O Amb27268773 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.55 CNC(=O)NCCCC(N)=O Amb28387497 [1,1,0,0,0,0|2,0,0]=4 349 B10R0.55 COC(=O)CCCCC(=O)O Amb3939891 [1,1,0,0,0,0|2,0,0]=4 350 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [1,1,0,0,0,0|2,0,0]=4 351 B10R0.55 COC(=O)NCCCC(=O)O Amb6668735 [1,1,0,0,0,0|1,0,0]=3 352 B10R0.55 O=C(O)CCCNC(=O)CCl Amb18791069 [1,1,0,0,0,0|1,0,0]=3 353 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [1,1,0,0,0,0|2,0,0]=4 354 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [1,1,0,0,0,0|2,0,0]=4 355 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [1,1,0,0,0,0|1,0,0]=3 356 B10R0.96 CC(=O)NCC(C)CC(C)O Amb28351961 [1,1,0,0,0,0|2,0,0]=4 357 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [1,1,0,0,0,0|1,0,0]=3 358 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [1,1,0,0,0,0|2,0,0]=4 359 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [1,1,0,0,0,0|2,0,0]=4 360 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [1,1,0,0,0,0|2,0,0]=4 361 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [1,1,0,0,0,0|2,0,0]=4 362 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [1,1,0,0,0,0|2,0,0]=4 363 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [1,1,0,0,0,0|2,0,0]=4 364 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [1,1,0,0,0,0|1,0,0]=3 365 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [1,1,0,0,0,0|1,0,0]=3 366 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [1,1,0,0,0,0|1,0,0]=3 367 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [1,1,0,0,0,0|1,0,0]=3 368 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [1,1,0,0,0,0|2,0,0]=4 369 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [1,1,0,0,0,0|2,0,0]=4 370 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.12 CC(=N)NCC(C)S(C)(=O)=O Amb35602718 [0,1,0,0,1,0|2,0,0]=4 372 B10R0.12 CC(=N)NCC(C)S(N)(=O)=O Amb27960448 [0,1,0,0,1,0|2,0,0]=4 373 B10R0.12 CC(=O)CCN(C)S(C)(=O)=O Amb27272019 [0,1,0,0,1,0|2,0,0]=4 374 B10R0.12 CC(=O)NCC(C)S(N)(=O)=O Amb27827125 [0,1,0,0,1,0|1,0,0]=3 375 B10R0.12 CC(CCC(=O)O)S(C)(=O)=O Amb27271170 [0,1,0,0,1,0|2,0,0]=4 376 B10R0.12 CC(CNC(=O)Cl)S(C)(=O)=O Amb30038876 [0,1,0,0,1,0|2,0,0]=4 377 B10R0.12 CC(CNC(N)=O)S(N)(=O)=O Amb27845724 [0,1,0,0,1,0|2,0,0]=4 378 B10R0.31 C=C(C)CC(N)CS(=O)(=O)F Amb33463971 [0,1,0,0,1,0|2,0,0]=4 379 B10R0.31 CC(=O)N\C(C)=N\S(=O)(=O)O Amb27234778 [0,1,0,0,1,0|1,0,1]=4 380 B10R0.31 CC(C)CC(N)CS(=O)(=O)O Amb27990328 [0,1,0,0,1,0|1,0,1]=4 381 B10R0.31 CC(C)NC(C)CS(=O)(=O)O Amb27989938 [0,1,0,0,1,0|1,0,1]=4 382 B10R0.31 CC(CC(=O)O)CS(C)(=O)=O Amb33056371 [0,1,0,0,1,0|2,0,0]=4 383 B10R0.31 CC(CS(=O)(=O)O)NC(=N)N Amb27239879 [0,1,0,0,1,0|2,0,0]=4 384 B10R0.31 CC(CS(C)(=O)=O)NC(=O)Cl Amb35633233 [0,1,0,0,1,0|2,0,0]=4 385 B10R0.31 CS(=O)(=O)CC(N)CC(=O)O Amb27001221 [0,1,0,0,1,0|2,0,0]=4 386 B10R0.31 CS(=O)(=O)CC(O)CC(=O)O Amb33056364 [0,1,0,0,1,0|2,0,0]=4 387 B10R0.31 CS(=O)(=O)C[C@@H](O)CC(=O)O Amb33481788 [0,1,0,0,1,0|2,0,0]=4 388 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Amb33055950 [0,1,0,0,1,0|2,0,0]=4 389 B10R0.65 CCS(=O)(=O)CCCC(=O)O Amb9303285 [0,1,0,0,1,0|2,0,0]=4 390 B10R0.65 CCS(=O)(=O)CCNC(C)=N Amb27271446 [0,1,0,0,1,0|2,0,0]=4 391 B10R0.65 CCS(=O)(=O)CCNC(C)=O Amb28078232 [0,1,0,0,1,0|1,0,0]=3 392 B10R0.65 CCS(=O)(=O)CCNC(N)=O Amb27271436 [0,1,0,0,1,0|2,0,0]=4 393 B10R0.65 CNS(=O)(=O)CCCC(=O)O Amb6741779 [0,1,0,0,1,0|2,0,0]=4 394 B10R0.65 CNS(=O)(=O)CCNC(C)=N Amb27492469 [0,1,0,0,1,0|2,0,0]=4 395 B10R0.65 CNS(=O)(=O)CCNC(C)=O Amb27492470 [0,1,0,0,1,0|1,0,0]=3 396 B10R0.65 CNS(=O)(=O)CCNC(N)=O Amb27670589 [0,1,0,0,1,0|2,0,0]=4 397 B10R0.92 CC(=O)C(Cl)CCS(=O)(=O)Cl Amb33456482 [0,1,0,0,1,0|1,0,0]=3 398 B10R0.92 CC(=O)C(N)CCS(C)(=O)=O Amb5716772 [0,1,0,0,1,0|1,0,0]=3 399 B10R0.92 CC(C)C(N)CCS(=O)(=O)O Amb28080459 [0,1,0,0,1,0|1,0,1]=4 400 B10R0.92 CC(C)[C@H](N)CCS(=O)(=O)O Amb27270964 [0,1,0,0,1,0|1,0,1]=4 401 B10R0.92 CC(CCS(C)(=O)=O)C(=O)O Amb18305099 [0,1,0,0,1,0|2,0,0]=4 402 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Amb1905637 [0,1,0,0,1,0|2,0,0]=4 403 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb6261914 [0,1,0,0,1,0|2,0,0]=4 404 B10R0.92 CS(=O)(=O)CCC(N)C(N)=O Amb9178007 [0,1,0,0,1,0|2,0,0]=4 405 B10R0.92 CS(=O)(=O)CCC(O)C(=O)O Amb18129022 [0,1,0,0,1,0|2,0,0]=4 406 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O Amb22745329 [0,1,0,0,1,0|2,0,0]=4 407 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O Amb9809971 [0,1,0,0,1,0|2,0,0]=4 408 B10R0.92 NC(CCS(=O)(=O)Cl)C(=O)O Amb28079864 [0,1,0,0,1,0|2,0,0]=4 409 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O Amb3940449 [0,1,0,0,1,0|1,0,0]=3 410 B10R0.92 NC(CCS(=O)(=O)S)C(=O)O Amb27990225 [0,1,0,0,1,0|1,1,0]=4 411 B10R0.92 NC(CCS(N)(=O)=O)C(=O)O Amb27271128 [0,1,0,0,1,0|2,0,0]=4 412 B10R0.92 NC(CSS(=O)(=O)O)C(=O)O Amb25384388 [0,1,0,0,1,0|2,0,0]=4 413 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O Amb22800081 [0,1,0,0,1,0|2,0,0]=4 414 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O Amb22348198 [0,1,0,0,1,0|2,0,0]=4 415 B10R0.92 N[C@H](CCS(=O)(=O)O)C(=O)O Amb27672864 [0,1,0,0,1,0|1,0,0]=3 416 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O Amb26660628 [0,1,0,0,1,0|2,0,0]=4 417 B10R0.113 CS(=O)(=O)CCCS(=O)(=O)Cl Amb19515338 [0,1,0,0,1,0|2,0,0]=4 418 B10R0.113 CS(=O)(=O)CCCS(=O)(=O)F Amb32716918 [0,1,0,0,1,0|2,0,0]=4 419 B10R0.113 CS(=O)(=O)CCCS(N)(=O)=O Amb25379953 [0,1,0,0,1,0|2,0,0]=4 420 B10R0.113 CS(=O)(=O)NCCS(N)(=O)=O Amb27491883 [0,1,0,0,1,0|2,0,0]=4 421 B10R0.113 O=S(=O)(O)CCCS(=O)(=O)O Amb8395405 [0,1,0,0,1,0|2,0,0]=4 422 B12R0.150 COC(=O)CCCCCS(=O)(=O)Cl Amb19374238 [0,1,0,0,0,1|2,0,0]=4 423 B12R0.150 COC(=O)CCCCCS(=O)(=O)F Amb32717094 [0,1,0,0,0,1|2,0,0]=4 424 B12R0.264 NC(=O)C(N)CCCCS(=O)(=O)O Amb32789406 [0,1,0,0,0,1|2,0,0]=4 425 B12R0.264 NC(CCCCS(=O)(=O)O)C(=O)O Amb33308590 [0,1,0,0,0,1|2,0,0]=4 426 B12R0.264 N[C@@H](CCCCS(=O)(=O)O)C(=O)O Amb33127544 [0,1,0,0,0,1|2,0,0]=4 427 B12R0.264 N[C@H](CCCCS(=O)(=O)O)C(=O)O Amb33066285 [0,1,0,0,0,1|2,0,0]=4 428 B12R0.638 CS(=O)(=O)NCCCNS(C)(=O)=O Amb11231730 [0,1,0,0,0,1|2,0,0]=4 429 B12R0.155 CCC(=O)NCC(O)CS(C)(=O)=O Amb33100676 [0,2,0,0,0,0|1,0,0]=3 430 B12R0.155 COC(=O)NCC(C)OS(C)(=O)=O Amb27752017 [0,2,0,0,0,0|2,0,0]=4 431 B12R0.394 CC(=O)NCC(C)(C)CS(C)(=O)=O Amb32698015 [0,2,0,0,0,0|1,0,0]=3 432 B12R0.595 CCS(=O)(=O)CC(O)CNC(C)=O Amb33100682 [0,2,0,0,0,0|1,0,0]=3 433 B12R0.72 CCOC(=O)CCCCS(=O)(=O)Cl Amb22896705 [0,2,0,0,0,0|2,0,0]=4 434 B12R0.90 COC(=O)C(N)CCCS(=O)(=O)O Amb33065482 [0,2,0,0,0,0|1,0,0]=3 435 B12R0.90 COC(=O)C(N)CCCS(C)(=O)=O Amb33037027 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.28 CS(=O)(=O)C1CC=CCC1 Amb27618473 [1,0,0,1,0,0|2,0,0]=4 437 B10R1.28 CS(=O)(=O)C1CCNCC1 Amb17502255 [1,0,0,1,0,0|1,0,1]=4 438 B10R1.28 CS(=O)(=O)C1CCNCC1 Amb20669193 [1,0,0,1,0,0|1,0,1]=4 439 B10R1.28 NS(=O)(=O)C1CC=CCC1 Amb24546259 [1,0,0,1,0,0|2,0,0]=4 440 B10R1.28 NS(=O)(=O)C1CCNCC1 Amb18279018 [1,0,0,1,0,0|1,0,1]=4 441 B10R1.28 NS(=O)(=O)C1CCNCC1 Amb19350562 [1,0,0,1,0,0|1,0,1]=4 442 B10R1.28 O=S(=O)(Cl)C1CC=CCC1 Amb27618160 [1,0,0,1,0,0|2,0,0]=4 443 B10R1.28 O=S(=O)(F)C1CC=CCC1 Amb32682337 [1,0,0,1,0,0|2,0,0]=4 444 B10R1.28 O=S(=O)(F)C1CCNCC1 Amb25175816 [1,0,0,1,0,0|1,0,1]=4 445 B10R1.28 O=S(=O)(F)C1CCNCC1 Amb32661797 [1,0,0,1,0,0|1,0,1]=4 446 B10R1.28 O=S(=O)(O)C1CCCCC1 Amb28049392 [1,0,0,1,0,0|1,0,1]=4 447 B10R1.28 O=S(=O)(O)C1CCCNC1 Amb22372273 [1,0,0,1,0,0|2,0,0]=4 448 B10R1.28 O=S(=O)(O)C1CCNCC1 Amb22352521 [1,0,0,1,0,0|0,0,1]=3 449 B10R1.65 CS(=O)(=O)C1CCCC1=O Amb13953068 [1,0,0,1,0,0|2,0,0]=4 450 B10R1.65 CS(=O)(=O)N1CCNC1=O Amb8387755 [1,0,0,1,0,0|2,0,0]=4 451 B10R1.65 NS(=O)(=O)C1CCCC1=O Amb24620165 [1,0,0,1,0,0|2,0,0]=4 452 B10R1.65 NS(=O)(=O)C1CCOC1=O Amb24078815 [1,0,0,1,0,0|2,0,0]=4 453 B10R1.65 O=C1CCCC1S(=O)(=O)O Amb27948654 [1,0,0,1,0,0|1,0,0]=3 454 B10R1.65 O=C1OCCC1S(=O)(=O)Cl Amb25132114 [1,0,0,1,0,0|2,0,0]=4 455 B10R1.65 O=C1OCCC1S(=O)(=O)F Amb26626121 [1,0,0,1,0,0|2,0,0]=4 456 B10R1.95 CCCC1CCS(=O)(=O)O1 Amb33621259 [1,0,0,1,0,0|1,0,1]=4 457 B10R1.95 CCNC1CCS(=O)(=O)C1 Amb1154181 [1,0,0,1,0,0|1,0,1]=4 458 B10R1.95 CCNC1CCS(=O)(=O)C1 Amb5716935 [1,0,0,1,0,0|1,0,1]=4 459 B10R1.95 CONC1CCS(=O)(=O)C1 Amb18669664 [1,0,0,1,0,0|2,0,0]=4 460 B10R1.95 C\C=N\C1CCS(=O)(=O)C1 Amb27794475 [1,0,0,1,0,0|1,0,1]=4 461 B10R1.95 O=CCC1CCS(=O)(=O)C1 Amb17063298 [1,0,0,1,0,0|2,0,0]=4 462 B10R1.95 O=CNC1CCS(=O)(=O)C1 Amb759398 [1,0,0,1,0,0|1,0,0]=3 463 B10R1.209 CS(=O)(=O)CCC1CCN1 Amb33053750 [1,0,0,1,0,0|1,0,1]=4 464 B10R1.218 O=CCCC1CS(=O)(=O)C1 Amb27613225 [1,0,0,1,0,0|2,0,0]=4 465 B10R1.276 CC1CS(=O)(=O)CCCN1 Amb25777249 [1,0,0,1,0,0|1,0,1]=4 466 B10R1.276 CC1CS(=O)(=O)CCCN1 Amb32932456 [1,0,0,1,0,0|1,0,1]=4 467 B10R1.276 O=C1NCCCS(=O)(=O)O1 Amb27238592 [1,0,0,1,0,0|0,0,0]=2 468 B10R1.281 CS(=O)(=O)CC1CCNC1 Amb25726460 [1,0,0,1,0,0|1,0,1]=4 469 B10R1.281 CS(=O)(=O)CC1CCNC1 Amb32661043 [1,0,0,1,0,0|1,0,1]=4 470 B10R1.281 NS(=O)(=O)CC1CC=CC1 Amb30032758 [1,0,0,1,0,0|2,0,0]=4 471 B10R1.281 NS(=O)(=O)CC1CCNC1 Amb22757958 [1,0,0,1,0,0|1,0,1]=4 472 B10R1.281 NS(=O)(=O)CC1CCNC1 Amb26349849 [1,0,0,1,0,0|1,0,1]=4 473 B10R1.281 NS(=O)(=O)CC1CCNC1 Amb33072440 [1,0,0,1,0,0|1,0,1]=4 474 B10R1.281 O=S(=O)(Cl)CC1CC=CC1 Amb30032905 [1,0,0,1,0,0|2,0,0]=4 475 B10R1.281 O=S(=O)(F)CC1CCNC1 Amb28246656 [1,0,0,1,0,0|1,0,1]=4 476 B10R1.281 O=S(=O)(F)CC1CCNC1 Amb32680776 [1,0,0,1,0,0|1,0,1]=4 477 B10R1.281 O=S(=O)(O)CN1CCNC1 Amb27876642 [1,0,0,1,0,0|1,0,1]=4 478 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [1,0,0,1,0,0|2,0,0]=4 479 B10R1.54 CC(=O)NC1CCC(=O)N1 Amb27882658 [1,0,0,1,0,0|2,0,0]=4 480 B10R1.54 CC(=O)N[C@H]1CC[C@@H](O)C1 Amb27212145 [1,0,0,1,0,0|2,0,0]=4 481 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [1,0,0,1,0,0|1,0,0]=3 483 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [1,0,0,1,0,0|2,0,0]=4 484 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [1,0,0,1,0,0|2,0,0]=4 485 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [1,0,0,1,0,0|1,0,0]=3 486 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [1,0,0,1,0,0|2,0,0]=4 487 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [1,0,0,1,0,0|1,0,0]=3 488 B10R1.82 O=C(O)CCC1CC(=O)C1 Amb25770415 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [1,0,0,1,0,0|2,0,0]=4 490 B10R1.113 CC(=O)C1CCNC(=O)C1 Amb24511548 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.113 CC(=O)N1CCCC(=O)C1 Amb18831760 [1,0,0,1,0,0|2,0,0]=4 492 B10R1.113 CC(=O)N1CCCC(O)C1 Amb9272424 [1,0,0,1,0,0|2,0,0]=4 493 B10R1.113 CC(=O)N1CCC[C@@H](O)C1 Amb22227493 [1,0,0,1,0,0|2,0,0]=4 494 B10R1.113 CC(=O)N1CCC[C@H](O)C1 Amb22227529 [1,0,0,1,0,0|2,0,0]=4 495 B10R1.113 CC(O)C1CCNC(=O)C1 Amb25137865 [1,0,0,1,0,0|2,0,0]=4 496 B10R1.113 CC1=NC(C(=O)O)CCN1 Amb16193456 [1,0,0,1,0,0|2,0,0]=4 497 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 Amb22348409 [1,0,0,1,0,0|2,0,0]=4 498 B10R1.113 O=C1CC(C(=O)O)CCN1 Amb33531218 [1,0,0,1,0,0|1,0,0]=3 499 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb22546429 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb28144294 [1,0,0,1,0,0|2,0,0]=4 501 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [1,0,0,1,0,0|2,0,0]=4 502 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [1,0,0,1,0,0|2,0,0]=4 503 B10R1.128 CC(C)N1CCCS1(=O)=O Amb20075631 [1,0,0,1,0,0|1,0,1]=4 504 B10R1.128 NC(=O)C1CCCS1(=O)=O Amb35586113 [1,0,0,1,0,0|2,0,0]=4 505 B10R1.128 O=C(Cl)C1CCCS1(=O)=O Amb35639939 [1,0,0,1,0,0|2,0,0]=4 506 B10R1.128 O=C(O)C1CCCS1(=O)=O Amb22886525 [1,0,0,1,0,0|2,0,0]=4 507 B10R1.351 O=C(O)CC1CCS1(=O)=O Amb28435286 [1,0,0,1,0,0|2,0,0]=4 508 B10R1.361 CC(=O)N1CCC1C(=O)O Amb24077473 [1,0,0,1,0,0|1,0,0]=3 509 B10R1.361 CC(=O)N1CCC1C(N)=O Amb33251169 [1,0,0,1,0,0|2,0,0]=4 510 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [1,0,0,1,0,0|2,0,0]=4 511 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [1,0,0,1,0,0|1,0,0]=3 512 B10R1.368 CC(=O)NC1CC1C(C)=O Amb18831758 [1,0,0,1,0,0|2,0,0]=4 513 B10R1.55 CS(=O)(=O)N1CCC(=O)C1 Amb26327724 [0,0,0,1,1,0|2,0,0]=4 514 B10R1.55 CS(=O)(=O)[C@@H]1CNC(=O)C1 Amb25927310 [0,0,0,1,1,0|1,0,0]=3 515 B10R1.55 NS(=O)(=O)N1CCC(=O)C1 Amb27846588 [0,0,0,1,1,0|2,0,0]=4 516 B10R1.55 O=C1CC(S(=O)(=O)Cl)CN1 Amb28428279 [0,0,0,1,1,0|1,0,0]=3 517 B10R1.112 O=C1CC(CS(=O)(=O)Cl)C1 Amb35789520 [0,0,0,1,1,0|1,0,0]=3 518 B10R1.112 O=C1CC(CS(=O)(=O)F)N1 Amb24562973 [0,0,0,1,1,0|1,0,0]=3 519 B10R1.302 C=C1CCCS(=O)(=O)CC1 Amb35650529 [0,0,0,1,1,0|2,0,0]=4 520 B10R1.302 O=C1CCCS(=O)(=O)CC1 Amb4460974 [0,0,0,1,1,0|1,0,0]=3 521 B10R1.302 O=C1CCS(=O)(=O)CCN1 Amb21960894 [0,0,0,1,1,0|1,0,0]=3 522 B10R1.302 O=C1CNS(=O)(=O)CCN1 Amb26899383 [0,0,0,1,1,0|1,0,0]=3 523 B10R1.347 O=C(O)C1CC1S(=O)(=O)Cl Amb27757561 [0,0,0,1,1,0|2,0,0]=4 524 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 Amb18792421 [0,0,0,1,1,0|1,0,0]=3 525 B10R1.359 O=C(Cl)C1CCS(=O)(=O)C1 Amb23554337 [0,0,0,1,1,0|2,0,0]=4 526 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Amb2568469 [0,0,0,1,1,0|2,0,0]=4 527 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,1,0|2,0,0]=4 528 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 Amb27272810 [0,0,0,1,1,0|2,0,0]=4 529 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)N1 Amb27600587 [0,0,0,1,1,0|2,0,0]=4 530 B10R1.359 O=C([O-])C1CCS(=O)(=O)C1 Amb24121199 [0,0,0,1,1,0|2,0,0]=4 531 B10R1.371 NC(=O)NC1CS(=O)(=O)C1 Amb24571420 [0,0,0,1,1,0|2,0,0]=4 532 B10R1.371 O=C(Cl)NC1CS(=O)(=O)C1 Amb35633292 [0,0,0,1,1,0|2,0,0]=4 533 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Amb22386897 [0,0,0,1,1,0|2,0,0]=4 534 B12R1.119 CC1CN(CS(=O)(=O)O)CCN1 Amb27799951 [0,0,0,1,0,1|1,0,1]=4 535 B12R1.119 CS(=O)(=O)CC1CCCC(=O)C1 Amb35699449 [0,0,0,1,0,1|2,0,0]=4 536 B12R1.263 O=C(O)C1CCCC1S(=O)(=O)O Amb35705408 [0,0,0,1,0,1|2,0,0]=4 537 B12R1.263 O=C(O)[C@@H]1CCCN1S(=O)(=O)O Amb29884148 [0,0,0,1,0,1|2,0,0]=4 538 B12R1.836 CS(=N)(=O)NCC1CNC(=O)C1 Amb35715482 [0,0,0,1,0,1|2,0,0]=4 539 B12R1.836 CS(=O)(=O)CCC1CNC(=O)C1 Amb33053940 [0,0,0,1,0,1|1,0,0]=3 540 B12R1.836 CS(=O)(=O)CCC1CNC(=O)O1 Amb33053965 [0,0,0,1,0,1|2,0,0]=4 541 B12R1.836 CS(=O)(=O)OC[C@H]1CNC(=O)O1 Amb27954260 [0,0,0,1,0,1|2,0,0]=4 542 B12R1.836 NS(=O)(=O)NCC1CNC(=O)C1 Amb28429961 [0,0,0,1,0,1|1,0,0]=3 543 B12R1.872 CS(=N)(=O)N1CCCNC(=O)C1 Amb29851225 [0,0,0,1,0,1|2,0,0]=4 544 B12R1.872 NS(=O)(=O)N1CCCNC(=O)C1 Amb27235177 [0,0,0,1,0,1|1,0,0]=3 545 B12R1.1806 C=C(C)CNC1CCS(=O)(=O)C1 Amb18296124 [0,0,0,1,0,1|2,0,0]=4 546 B12R1.1806 CC(=O)CCC1CCS(=O)(=O)C1 Amb33053921 [0,0,0,1,0,1|2,0,0]=4 547 B12R1.1806 CC(=O)\C=C\C1CCS(=O)(=O)C1 Amb33227166 [0,0,0,1,0,1|2,0,0]=4 548 B12R1.1806 CC(C)=NNC1CCS(=O)(=O)C1 Amb22049719 [0,0,0,1,0,1|2,0,0]=4 549 B12R1.1806 NC(=O)CNC1CCS(=O)(=O)C1 Amb1130695 [0,0,0,1,0,1|2,0,0]=4 550 B12R1.1806 NC(=O)NNC1CCS(=O)(=O)C1 Amb28204784 [0,0,0,1,0,1|2,0,0]=4 551 B12R1.1806 O=C(Cl)NCC1CCS(=O)(=O)C1 Amb35625634 [0,0,0,1,0,1|2,0,0]=4 552 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 Amb1080887 [0,0,0,1,0,1|2,0,0]=4 553 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 Amb19373073 [0,0,0,1,0,1|2,0,0]=4 554 B12R1.1806 O=C([O-])CNC1CCS(=O)(=O)C1 Amb3318712 [0,0,0,1,0,1|2,0,0]=4 555 B12R1.1810 CC(=O)NCCC1CS(=O)(=O)C1 Amb24380618 [0,0,0,1,0,1|1,0,0]=3 556 B12R1.1810 NC(=O)NCCC1CS(=O)(=O)C1 Amb27399419 [0,0,0,1,0,1|2,0,0]=4 557 B12R1.1821 CC(=N)NC1CCCS(=O)(=O)C1 Amb27810620 [0,0,0,1,0,1|2,0,0]=4 558 B12R1.1821 CC(=O)CC1CS(=O)(=O)CCN1 Amb27593687 [0,0,0,1,0,1|2,0,0]=4 559 B12R1.1821 CC(=O)NC1CCCS(=O)(=O)C1 Amb28194380 [0,0,0,1,0,1|1,0,0]=3 560 B12R1.1821 O=C(Cl)NC1CCCS(=O)(=O)C1 Amb35633197 [0,0,0,1,0,1|2,0,0]=4 561 B12R1.106 CS(=O)(=O)CC1CCC(=O)CC1 Amb25712466 [0,1,0,1,0,0|2,0,0]=4 562 B12R1.106 CS(=O)(=O)NC1CCC(=O)NC1 Amb27464881 [0,1,0,1,0,0|2,0,0]=4 563 B12R1.106 O=C1CCC(CS(=O)(=O)Cl)CN1 Amb28245070 [0,1,0,1,0,0|1,0,0]=3 564 B12R1.106 O=C1CCC(CS(=O)(=O)F)CN1 Amb27433745 [0,1,0,1,0,0|1,0,0]=3 565 B12R1.128 CC1CCC(=O)CC1S(C)(=O)=O Amb32867578 [0,1,0,1,0,0|2,0,0]=4 566 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1Cl Amb812920 [0,1,0,1,0,0|1,0,0]=3 567 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1O Amb5797432 [0,1,0,1,0,0|1,0,0]=3 568 B12R1.844 CC(=O)OC1CS(=O)(=O)CC1Cl Amb5716923 [0,1,0,1,0,0|2,0,0]=4 569 B12R1.844 CC(=O)SC1CS(=O)(=O)CC1Br Amb2813424 [0,1,0,1,0,0|2,0,0]=4 570 B12R1.844 CC(=O)S[C@@H]1CS(=O)(=O)C[C@H]1Br Amb7089645 [0,1,0,1,0,0|2,0,0]=4 571 B12R1.844 CC(=O)S[C@@H]1CS(=O)(=O)C[C@H]1Cl Amb7089644 [0,1,0,1,0,0|2,0,0]=4 572 B12R1.844 CC(=O)S[C@@H]1CS(=O)(=O)C[C@H]1I Amb7089643 [0,1,0,1,0,0|2,0,0]=4 573 B12R1.844 NC(=O)NC1CS(=O)(=O)CC1O Amb2548455 [0,1,0,1,0,0|2,0,0]=4 574 B12R1.1381 CC(=O)N1CC(OS(C)(=O)=O)C1 Amb22886972 [0,1,0,1,0,0|2,0,0]=4 575 B12R1.2789 CS(=N)(=O)NC1CCS(=O)(=O)C1 Amb29851649 [0,1,0,1,0,0|2,0,0]=4 576 B12R1.254 CC(=O)N1CCC(S(C)(=O)=O)C1 Amb27979317 [0,1,0,1,0,0|1,0,0]=3 577 B12R1.254 CC(=O)N1CCC(S(N)(=O)=O)C1 Amb27981443 [0,1,0,1,0,0|1,0,0]=3 578 B12R1.254 O=C(O)C1CCC(S(=O)(=O)O)O1 Amb27405398 [0,1,0,1,0,0|2,0,0]=4 579 B12R1.1019 CS(=O)(=O)N1CCNC(=O)CC1 Amb19078919 [0,1,0,1,0,0|2,0,0]=4 580 B12R1.977 C[C@@H]1NS(=O)(=O)CCCNC1=O Amb28071053 [0,1,0,1,0,0|1,0,0]=3 581 B12R1.1221 C[C@@H]1C(=O)N[C@H]1COS(C)(=O)=O Amb28052639 [0,1,0,1,0,0|2,0,0]=4 582 B12R1.1655 CNC(=O)[C@@H]1C[C@H]1CS(N)(=O)=O Amb33229824 [0,1,0,1,0,0|2,0,0]=4 583 B12R1.1655 COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)Cl Amb32751739 [0,1,0,1,0,0|2,0,0]=4 584 B12R1.1655 COC(=O)[C@@H]1C[C@@H]1CS(N)(=O)=O Amb32946924 [0,1,0,1,0,0|2,0,0]=4 585 B12R1.1673 C=CC(=O)NC1CCS(=O)(=O)C1 Amb759926 [0,1,0,1,0,0|1,0,1]=4 586 B12R1.1673 CNC(=O)CC1CCS(=O)(=O)C1 Amb27853395 [0,1,0,1,0,0|2,0,0]=4 587 B12R1.1673 CNC(=O)NC1CCS(=O)(=O)C1 Amb5716932 [0,1,0,1,0,0|1,0,0]=3 588 B12R1.1673 CNC(=S)NC1CCS(=O)(=O)C1 Amb5716931 [0,1,0,1,0,0|1,1,0]=4 589 B12R1.1673 COC(=O)CC1CCS(=O)(=O)C1 Amb1395060 [0,1,0,1,0,0|2,0,0]=4 590 B12R1.1673 COC(=O)NC1CCS(=O)(=O)C1 Amb2459794 [0,1,0,1,0,0|1,0,0]=3 591 B12R1.1673 COC(=O)OC1CCS(=O)(=O)C1 Amb5716927 [0,1,0,1,0,0|2,0,0]=4 592 B12R1.1673 CSC(=S)NC1CCS(=O)(=O)C1 Amb2548472 [0,1,0,1,0,0|1,1,0]=4 593 B12R1.1673 NCC(=O)NC1CCS(=O)(=O)C1 Amb5783066 [0,1,0,1,0,0|1,0,0]=3 594 B12R1.1673 NCC(=O)NC1CCS(=O)(=O)C1 Amb7969801 [0,1,0,1,0,0|1,0,0]=3 595 B12R1.1673 NNC(=O)NC1CCS(=O)(=O)C1 Amb5716907 [0,1,0,1,0,0|2,0,0]=4 596 B12R1.1673 O=C(CCl)CC1CCS(=O)(=O)C1 Amb17193932 [0,1,0,1,0,0|2,0,0]=4 597 B12R1.1673 O=C(CCl)NC1CCS(=O)(=O)C1 Amb1151092 [0,1,0,1,0,0|1,0,0]=3 598 B12R1.1673 O=C(CCl)OC1CCS(=O)(=O)C1 Amb445125 [0,1,0,1,0,0|2,0,0]=4 599 B12R1.1673 O=C(CI)NC1CCS(=O)(=O)C1 Amb2987197 [0,1,0,1,0,0|1,0,0]=3 600 B12R1.1673 O=C(CO)NC1CCS(=O)(=O)C1 Amb9421659 [0,1,0,1,0,0|1,0,0]=3 601 B12R1.1673 O=C(NO)NC1CCS(=O)(=O)C1 Amb7090243 [0,1,0,1,0,0|2,0,0]=4 602 B12R1.1707 CCC(=O)C1CCCS(=O)(=O)C1 Amb27870555 [0,1,0,1,0,0|2,0,0]=4 603 B12R1.1707 COC(=O)C1CCCS(=O)(=O)N1 Amb25222179 [0,1,0,1,0,0|2,0,0]=4 604 B12R1.1709 COC(=O)C1CCC1S(=O)(=O)Cl Amb27175080 [0,1,0,1,0,0|2,0,0]=4 605 B12R1.1709 COC(=O)C1CCC1S(=O)(=O)F Amb32717562 [0,1,0,1,0,0|2,0,0]=4 606 B12R1.1709 COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)Cl Amb24693227 [0,1,0,1,0,0|2,0,0]=4 607 B12R1.1709 COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)F Amb32718588 [0,1,0,1,0,0|2,0,0]=4 608 B12R1.1709 COC(=O)[C@@H]1CC[C@@H]1S(N)(=O)=O Amb33502917 [0,1,0,1,0,0|2,0,0]=4 609 B12R1.1709 COC(=O)[C@H]1CC[C@H]1S(=O)(=O)Cl Amb26920087 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.1709 COC(=O)[C@H]1CC[C@H]1S(=O)(=O)F Amb32717698 [0,1,0,1,0,0|2,0,0]=4 611 B12R1.10 CCS(=O)(=O)C1CCCC(=O)C1 Amb27948199 [0,1,0,1,0,0|2,0,0]=4 612 B12R1.10 CNS(=O)(=O)N1CCNC(=O)C1 Amb27974473 [0,1,0,1,0,0|2,0,0]=4 613 B12R1.193 CNS(=O)(=O)NC1CNC(=O)C1 Amb27973699 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.193 O=C1CC(NS(=O)(=O)CCl)CN1 Amb27761962 [0,1,0,1,0,0|2,0,0]=4 615 B12R1.974 CC(=O)NC1CCS(=O)(=O)C1C Amb28064726 [0,1,0,1,0,0|1,0,0]=3 616 B12R1.974 CC1C(NC(=O)Cl)CCS1(=O)=O Amb35633601 [0,1,0,1,0,0|2,0,0]=4 617 B12R1.1819 CC(=O)CC1CCS(=O)(=O)CC1 Amb35641464 [0,1,0,1,0,0|2,0,0]=4 618 B12R1.1819 O=C(Cl)NC1CCS(=O)(=O)CC1 Amb35625760 [0,1,0,1,0,0|2,0,0]=4 619 B12R1.3092 CC(=O)C1CCCS(=O)(=O)CC1 Amb35673029 [0,1,0,1,0,0|2,0,0]=4 620 B12R1.3092 O=C(Cl)N1CCCS(=O)(=O)CC1 Amb27861861 [0,1,0,1,0,0|2,0,0]=4 621 B12R1.847 CN1CC(CS(=O)(=O)Cl)CC1=O Amb32715344 [0,1,0,1,0,0|1,0,0]=3 622 B12R1.847 CN1CC(CS(=O)(=O)Cl)OC1=O Amb26579362 [0,1,0,1,0,0|2,0,0]=4 623 B12R1.847 CN1CC(CS(N)(=O)=O)CC1=O Amb32715586 [0,1,0,1,0,0|1,0,0]=3 624 B12R1.847 CN1CC(CS(N)(=O)=O)OC1=O Amb32715489 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.847 CN1CC(OS(C)(=O)=O)CC1=O Amb27204871 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.2196 NC(C(=O)O)C1CC1S(=O)(=O)O Amb28119035 [0,1,0,1,0,0|2,0,0]=4 627 B12R1.2196 N[C@@H](C(=O)O)[C@@H]1C[C@@H]1S(=O)(=O)O Amb27858799 [0,1,0,1,0,0|2,0,0]=4 628 B12R1.2203 CC(=O)N(C)C1CCS(=N)(=O)C1 Amb32864271 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.2203 CC(=O)N(C)C1CCS(=O)(=O)C1 Amb757226 [0,1,0,1,0,0|1,0,0]=3 630 B12R1.2203 CC(=O)N(N)C1CCS(=O)(=O)C1 Amb33191291 [0,1,0,1,0,0|1,0,0]=3 631 B12R1.2203 CN(C(=O)Cl)C1CCS(=O)(=O)C1 Amb33550631 [0,1,0,1,0,0|2,0,0]=4 632 B12R1.2203 CN(C(=O)S)C1CCS(=O)(=O)C1 Amb27627433 [0,1,0,1,0,0|2,0,0]=4 633 B12R1.2203 CN(C(=O)[S-])C1CCS(=O)(=O)C1 Amb2793346 [0,1,0,1,0,0|2,0,0]=4 634 B12R1.2203 CN(C(=O)[S-])C1CCS(=O)(=O)C1 Amb9835341 [0,1,0,1,0,0|2,0,0]=4 635 B12R1.2203 CN(C(=O)[S-])C1CCS(=O)(=O)C1 Amb9835342 [0,1,0,1,0,0|2,0,0]=4 636 B12R1.2203 CN(C(N)=O)C1CCS(=O)(=O)C1 Amb586595 [0,1,0,1,0,0|2,0,0]=4 637 B12R1.862 O=C1NC(=O)C(CS(=O)(=O)O)N1 Amb28436106 [0,1,0,1,0,0|1,0,1]=4 638 B12R1.1831 CC(=O)CC1(O)CCS(=O)(=O)C1 Amb32943774 [0,1,0,1,0,0|2,0,0]=4 639 B12R1.1831 CC(=O)OC1(C)CCS(=O)(=O)C1 Amb5716948 [0,1,0,1,0,0|2,0,0]=4 640 B12R1.1831 CC1(NC(=O)Cl)CCS(=O)(=O)C1 Amb35625750 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.237 O=C1CC2CS(=O)(=O)CC2N1 Amb27792785 [0,0,0,2,0,0|1,0,0]=3 642 B12R2.237 O=C1CC2CS(=O)(=O)CC2O1 Amb2797396 [0,0,0,2,0,0|2,0,0]=4 643 B12R2.237 O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1 Amb33328857 [0,0,0,2,0,0|1,0,0]=3 644 B12R2.237 O=C1NC2CS(=O)(=O)CC2N1 Amb2548446 [0,0,0,2,0,0|2,0,0]=4 645 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1 Amb7089566 [0,0,0,2,0,0|2,0,0]=4 646 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1 Amb22757916 [0,0,0,2,0,0|2,0,0]=4 647 B12R2.237 O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1 Amb27970933 [0,0,0,2,0,0|2,0,0]=4 648 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,1,0|2,0,0]=4 649 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,1,0|1,0,0]=3 650 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,1,0|2,0,0]=4 651 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,1,0|2,0,0]=4 652 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,1,0|1,0,1]=4 653 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,1,0|2,0,0]=4 654 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,1,0|2,0,0]=4 655 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,1,0|1,0,0]=3 656 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,1,0|2,0,0]=4 657 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,1,0|0,0,1]=3 658 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,1,0|2,0,0]=4 659 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,1,0|2,0,0]=4 660 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,1,0|2,0,0]=4 661 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,1,0|2,0,0]=4 662 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,1,0|2,0,0]=4 663 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,1,0|2,0,0]=4 664 B8R0.29 C=C(C)CCS(=O)(=O)Cl Amb26951210 [0,0,0,0,2,0|2,0,0]=4 665 B8R0.29 C=C(C)CCS(=O)(=O)F Amb33076588 [0,0,0,0,2,0|2,0,0]=4 666 B8R0.29 C=C(C)CCS(N)(=O)=O Amb28134165 [0,0,0,0,2,0|2,0,0]=4 667 B8R0.29 CC(=N)NCS(=O)(=O)O Amb27238670 [0,0,0,0,2,0|1,0,0]=3 668 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,0,0,0,2,0|1,0,0]=3 669 B8R0.29 CC(=O)COS(C)(=O)=O Amb24737069 [0,0,0,0,2,0|2,0,0]=4 670 B8R0.29 CC(=O)CSS(=O)(=O)O Amb27256676 [0,0,0,0,2,0|1,0,0]=3 671 B8R0.29 CC(=O)NCP(=O)(O)O Amb26515978 [0,0,0,0,2,0|1,0,1]=4 672 B8R0.29 CC(C)CCS(=O)(=O)O Amb26996755 [0,0,0,0,2,0|1,0,1]=4 673 B8R0.29 CC(C)NCS(=O)(=O)O Amb27409883 [0,0,0,0,2,0|1,0,1]=4 674 B8R0.29 CN(C)CCS(=O)(=O)O Amb25875615 [0,0,0,0,2,0|2,0,0]=4 675 B8R0.29 CS(=O)(=O)CCC(=O)O Amb6275720 [0,0,0,0,2,0|2,0,0]=4 676 B8R0.29 CS(=O)CCS(C)(=O)=O Amb28142621 [0,0,0,0,2,0|2,0,0]=4 677 B8R0.29 CS(=O)CCS(N)(=O)=O Amb27883192 [0,0,0,0,2,0|2,0,0]=4 678 B8R0.29 NC(=O)CCS(=O)(=O)Cl Amb27427539 [0,0,0,0,2,0|2,0,0]=4 679 B8R0.29 NS(=O)(=O)CCC(=O)O Amb6741826 [0,0,0,0,2,0|2,0,0]=4 680 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,0,0,0,2,0|2,0,0]=4 681 B8R0.29 O=C(Cl)CCS(=O)(=O)F Amb32717025 [0,0,0,0,2,0|2,0,0]=4 682 B8R0.29 O=C(O)CCS(=O)(=O)O Amb17399954 [0,0,0,0,2,0|1,0,0]=3 683 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Amb28960294 [0,0,0,0,2,0|1,0,1]=4 684 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [1,0,0,0,0,1|2,0,0]=4 685 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [1,0,0,0,0,1|1,0,0]=3 686 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [1,0,0,0,0,1|2,0,0]=4 687 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [1,0,0,0,0,1|1,0,0]=3 688 B10R0.97 CC(=O)NCSCCC(=O)O Amb3941448 [1,0,0,0,0,1|1,0,0]=3 689 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [1,0,0,0,0,1|2,0,0]=4