0 B10R0.15 CC(=N)NCCCS(C)(=O)=O Amb25379640 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.15 CC(=N)NCCCS(N)(=O)=O Amb25379639 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.15 CC(=N)NCCNS(C)(=O)=O Amb25379635 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.15 CC(=O)NCCCC(C)(C)C Amb16967047 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.15 CC(=O)NCCCC(C)(C)F Amb24766569 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.15 CC(=O)NCCCC(C)(C)O Amb24766568 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.15 CC(=O)NCCCS(=O)(=O)[O-] Amb17607209 [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)NCCCS(O)(=O)=O Amb22735135 [0,0,0,0,0,0|0,0,0]=0 9 B10R0.15 CC(=O)NCCC[Si](C)(C)C Amb25385996 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.15 CC(=O)NCCC[Si](C)(Cl)Cl Amb25385782 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.15 CC(=O)NCCOP(O)(O)=O Amb25385968 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.15 CC(=O)NCCOS(C)(=O)=O Amb25207774 [0,0,0,0,0,0|2,0,0]=2 13 B10R0.15 CC(=O)NCCSP(O)(O)=O Amb25384355 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.15 CC(=O)NCCSS(C)(=O)=O Amb25384795 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.15 CC(=O)NCCSS(O)(=O)=O Amb25384362 [0,0,0,0,0,0|1,0,0]=1 16 B10R0.15 CC(=O)OCCN=S(C)(C)=O Amb24766029 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.15 CC(C)=CCCOS(C)(=O)=O Amb25775959 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.15 CS(=O)(=O)CC=NNC(N)=O Amb24470082 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.15 CS(=O)(=O)CCCNC(N)=N Amb18184534 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.15 CS(=O)(=O)CCCNC(N)=O Amb18809314 [0,0,0,0,0,0|2,0,0]=2 21 B10R0.15 CS(=O)(=O)CCCNC(N)=S Amb18330669 [0,0,0,0,0,0|2,1,0]=3 22 B10R0.15 CS(=O)(=O)NCCNC(N)=N Amb18184743 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.15 NC(=N)NCCCS(N)(=O)=O Amb18805032 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.15 NC(=N)NCCCS(O)(=O)=O Amb25385281 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.15 NC(=O)CCCSS([O-])(=O)=O Amb21884748 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.15 NC(=O)CCCSS([O-])(=O)=O Amb24191072 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.15 NC(=O)NCCCS(N)(=O)=O Amb18181310 [0,0,0,0,0,0|2,0,0]=2 28 B10R0.15 NC(=O)NCCSS(O)(=O)=O Amb25384614 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.15 NC(=S)NCCCS(N)(=O)=O Amb18330832 [0,0,0,0,0,0|2,1,0]=3 30 B10R0.15 OC(=O)CCCCS(=O)(=O)C Amb17503797 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.15 OC(=O)CCCNS(=O)(=O)C Amb1112006 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.15 OC(=O)CCCSS(=O)(=O)C Amb17610587 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.38 C=CCCCCS(=O)(=O)Cl Amb25779868 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.38 CCCCCCS(=O)(=O)N Amb16191920 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.38 CCCCCCS(O)(=O)=O Amb25138206 [1,0,0,0,0,0|1,0,1]=3 36 B9R0.38 CCCCCNS(O)(=O)=O Amb24535979 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.38 CCCCNCS(O)(=O)=O Amb25784458 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.38 CCNCCCS(C)(=O)=O Amb18792707 [1,0,0,0,0,0|1,0,1]=3 39 B9R0.38 CCNCCCS(N)(=O)=O Amb18801125 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.38 CCNCCOS(O)(=O)=O Amb24482140 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.38 CCOCCCS(=O)(=O)Cl Amb25756682 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.38 CCOCCCS(N)(=O)=O Amb24617117 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.38 CCOCCCS(O)(=O)=O Amb25174240 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.38 CCSCCCS(=O)(=O)Cl Amb25683628 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.38 CCSCCCS(C)(=O)=O Amb25344623 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.38 CCSCCCS(N)(=O)=O Amb24434269 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.38 CNCCCCS(C)(=O)=O Amb18800968 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.38 CNCCCSS(O)(=O)=O Amb25275589 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.38 COCCCCS(N)(=O)=O Amb25810707 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.38 CONCCNS(C)(=O)=O Amb25741006 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.38 CS(=O)(=O)CCCCC=C Amb25114533 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.38 CS(=O)(=O)CCCCC=O Amb24447263 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.38 CS(=O)(=O)CCCN=C=O Amb24529234 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.38 CS(=O)(=O)CCCNC#N Amb18800647 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.38 CS(=O)(=O)CCCNC=O Amb24333669 [1,0,0,0,0,0|1,0,0]=2 56 B9R0.38 CS(=O)(=O)CCSCC=O Amb24477965 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.38 CS(=O)(=O)NCCCC=O Amb22896812 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.38 CS(=O)(=O)NCCNC=O Amb25065834 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.38 C\C=C\CCNS(N)(=O)=O Amb25147663 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.38 NNCCCCS(O)(=O)=O Amb24741182 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.38 NS(=O)(=O)CCCNC#N Amb24687008 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.38 OCCCCCS(O)(=O)=O Amb25127860 [1,0,0,0,0,0|1,0,2]=4 63 B9R0.38 OP(O)(=O)CCCCC=O Amb25100269 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.38 OS(=O)(=O)CCCCCBr Amb19130974 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.55 CC(=N)NCCCC(N)=O Amb25729267 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.55 CC(=O)NCC#CC(O)=O Amb24481196 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.55 CC(=O)NCCCC(=C)Cl Amb24477328 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.55 CC(=O)NCCCC(N)=S Amb18182547 [1,0,0,0,0,0|2,1,0]=4 75 B9R0.55 CC(=O)NCCNC(=O)C Amb2522644 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.55 CC(=O)OCCCS(C)=O Amb24387513 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.55 CC(Br)CCCNC(C)=O Amb25784406 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.55 CC(C)CCCNC(C)=O Amb25756283 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.55 CC(Cl)CCCNC(C)=O Amb25275384 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.55 CC(N)CCCNC(C)=O Amb24481145 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.55 CC(NCCCC(=O)O)C Amb1111231 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.55 CC(O)CCCNS(C)=O Amb24551813 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.55 CS(=O)CCCNC(N)=O Amb25139044 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.55 C[C@@H](O)CCCCC(C)=O Amb25114746 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [1,0,0,0,0,0|2,1,0]=4 106 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.34 CC(=O)NN=C(C)CS(C)(=O)=O Amb24660898 [0,1,0,0,0,0|2,0,1]=4 110 B11R0.114 C=CC(=O)OCCCS(O)(=O)=O Amb22336252 [0,1,0,0,0,0|1,0,1]=3 111 B11R0.114 C=CC(=O)OCCCS([O-])(=O)=O Amb22733962 [0,1,0,0,0,0|1,0,2]=4 112 B11R0.114 COC(=O)CCCCP(O)(O)=O Amb22831923 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.114 COC(=O)NCCCC(C)(C)O Amb24095878 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.199 CS(=O)(=O)CCCOS(C)(=O)=O Amb21964633 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22233688 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22432566 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.199 [O-]S(=O)(=O)CCCSS(=O)(=O)C Amb17620123 [0,1,0,0,0,0|2,0,1]=4 118 B11R0.318 CC(=C)C(=O)OCCS(O)(=O)=O Amb17934148 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.318 CC(=O)N(CCCP(=O)(O)[O-])O Amb17614624 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.76 CS(=O)(=O)CC1CCC(=O)N1 Amb25231246 [0,0,0,1,0,0|3,0,0]=4 121 B11R1.76 CS(=O)(=O)NC1CNC(=O)C1 Amb25383367 [0,0,0,1,0,0|2,0,0]=3 122 B11R1.76 NS(=O)(=O)CC1CNC(=O)O1 Amb25788421 [0,0,0,1,0,0|2,0,0]=3 123 B11R1.76 O=C1CC(CN1)CS(=O)(=O)Cl Amb24656371 [0,0,0,1,0,0|1,0,0]=2 124 B11R1.76 O=C1CCC(CS(=O)(=O)Cl)O1 Amb25082300 [0,0,0,1,0,0|3,0,0]=4 125 B11R1.76 O=C1NCC(CS(=O)(=O)Cl)O1 Amb24407726 [0,0,0,1,0,0|2,0,0]=3 126 B11R1.76 OC1CCC(C1)CS(O)(=O)=O Amb24653599 [0,0,0,1,0,0|1,0,2]=4 127 B11R1.76 OS(=O)(=O)CC1CNC(=O)O1 Amb25858231 [0,0,0,1,0,0|1,0,0]=2 128 B11R1.76 O[C@@H]1CC[C@H](C1)CS(O)(=O)=O Amb25175032 [0,0,0,1,0,0|1,0,2]=4 129 B11R1.155 CP(O)(=O)C1CC(=O)CCC1 Amb25730100 [0,0,0,1,0,0|3,0,0]=4 130 B11R1.155 CS(=O)(=O)C1CC(=O)CCC1 Amb25151304 [0,0,0,1,0,0|2,0,0]=3 131 B11R1.155 CS(=O)(=O)C1CCCC(=O)N1 Amb23453044 [0,0,0,1,0,0|3,0,0]=4 132 B11R1.155 CS(=O)(=O)N1CC(=O)CCC1 Amb25104394 [0,0,0,1,0,0|3,0,0]=4 133 B11R1.155 CS(=O)(=O)N1CC(=O)NCC1 Amb18809054 [0,0,0,1,0,0|2,0,0]=3 134 B11R1.155 N[C@@H]1CC(CCC1)S(O)(=O)=O Amb25374093 [0,0,0,1,0,0|2,0,1]=4 135 B11R1.155 OC1CCCC(C1)S(O)(=O)=O Amb25763889 [0,0,0,1,0,0|1,0,2]=4 136 B11R1.155 O[C@H]1CCCC(C1)S(O)(=O)=O Amb25763981 [0,0,0,1,0,0|1,0,2]=4 137 B11R1.155 O[C@H]1CCC[C@@H](C1)S(O)(=O)=O Amb24608066 [0,0,0,1,0,0|1,0,2]=4 138 B11R1.546 O=C1CCS(=O)(=O)CCCC1 Amb24486168 [0,0,0,1,0,0|2,0,0]=3 139 B11R1.577 CS(=O)(=O)OCC1CC(=O)N1 Amb24486073 [0,0,0,1,0,0|2,0,0]=3 140 B11R1.710 CC(=N)NC1CS(=O)(=O)CC1 Amb24533200 [0,0,0,1,0,0|2,0,0]=3 141 B11R1.710 CC(=N)SC1CS(=O)(=O)CC1 Amb23503263 [0,0,0,1,0,0|3,0,0]=4 142 B11R1.710 CC(=O)OC1COS(=O)(=O)C1 Amb25174202 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.710 CC(=O)SC1CCS(=O)(=O)C1 Amb1144764 [0,0,0,1,0,0|2,0,0]=3 144 B11R1.710 CC(=O)\C=C/1\CCS(=O)(=O)C1 Amb25790081 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.710 CC(NC1CCS(=O)(=O)C1)C Amb1140326 [0,0,0,1,0,0|2,0,1]=4 146 B11R1.710 CC(O)NC1CCS(=O)(=O)C1 Amb24697944 [0,0,0,1,0,0|1,0,2]=4 147 B11R1.710 CN(NC1CCS(=O)(=O)C1)C Amb2327383 [0,0,0,1,0,0|3,0,0]=4 148 B11R1.710 NC(=N)NC1CS(=O)(=O)CC1 Amb18804644 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.710 NC(=O)NC1CCS(=O)(=O)C1 Amb1153033 [0,0,0,1,0,0|2,0,0]=3 150 B11R1.710 O=C(Cl)CC1CS(=O)(=O)CC1 Amb23554298 [0,0,0,1,0,0|3,0,0]=4 151 B11R1.710 O=C([S-])NC1CS(=O)(=O)CC1 Amb23554325 [0,0,0,1,0,0|2,0,0]=3 152 B11R1.710 O=S1(=O)CC(CC1)NC(S)=S Amb22041452 [0,0,0,1,0,0|2,1,0]=4 153 B11R1.710 OC(=O)CC1CCS(=O)(=O)C1 Amb1154428 [0,0,0,1,0,0|3,0,0]=4 154 B11R1.710 OC(=O)CC1CCS(=O)(=O)N1 Amb24595350 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.710 [S-]C(=O)NC1CCS(=O)(=O)C1 Amb2548813 [0,0,0,1,0,0|2,0,0]=3 156 B11R1.710 [S-]C(=S)NC1CCS(=O)(=O)C1 Amb16206558 [0,0,0,1,0,0|2,1,0]=4 157 B11R1.710 [S-]C(=S)NC1CCS(=O)(=O)C1 Amb2548566 [0,0,0,1,0,0|2,1,0]=4 158 B11R1.730 CC(=O)N1CC(C)(O)CCC1 Amb25139788 [0,0,0,1,0,0|3,0,0]=4 159 B11R1.730 OC(=O)C1CCCS(=O)(=O)C1 Amb15701364 [0,0,0,1,0,0|3,0,0]=4 160 B11R1.730 OC(=O)C=1CCCS(=O)(=O)C1 Amb25241202 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.730 OC(=O)[C@@H]1CCCS(=O)(=O)N1 Amb25080020 [0,0,0,1,0,0|3,0,0]=4 162 B11R1.731 NS(=O)(=O)C1CCC1C(O)=O Amb24545058 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.731 NS(=O)(=O)[C@@H]1CC[C@H]1C(O)=O Amb24682033 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.731 OC(=O)C1CCC1S(=O)(=O)Cl Amb25286996 [0,0,0,1,0,0|3,0,0]=4 165 B9R0.56 CC(=N)NCCS(N)(=O)=O Amb24614320 [0,0,0,0,1,0|2,0,0]=3 166 B9R0.56 CC(=N)OCCS(C)(=O)=O Amb24065163 [0,0,0,0,1,0|3,0,0]=4 167 B9R0.56 CC(=N)OCCS([O-])(=O)=O Amb19930797 [0,0,0,0,1,0|2,0,1]=4 168 B9R0.56 CC(=O)CCCC(O)(C)C Amb17593627 [0,0,0,0,1,0|3,0,0]=4 169 B9R0.56 CC(=O)CCCS(=O)(=O)F Amb25706977 [0,0,0,0,1,0|1,0,0]=2 170 B9R0.56 CC(=O)CCCS(C)(=O)=O Amb18180080 [0,0,0,0,1,0|1,0,0]=2 171 B9R0.56 CC(=O)CCNS(=O)(=O)C Amb17102926 [0,0,0,0,1,0|2,0,0]=3 172 B9R0.56 CC(=O)NCCS(=O)(=O)C Amb16971455 [0,0,0,0,1,0|1,0,0]=2 173 B9R0.56 CC(=O)NCCS(N)(=O)=O Amb18792763 [0,0,0,0,1,0|1,0,0]=2 174 B9R0.56 CC(=O)N\C=C\S(O)(=O)=O Amb25049241 [0,0,0,0,1,0|0,0,2]=3 175 B9R0.56 CC(=O)OCCS(=O)(=O)Cl Amb18062586 [0,0,0,0,1,0|2,0,0]=3 176 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] Amb17607672 [0,0,0,0,1,0|1,0,1]=3 177 B9R0.56 CC(=O)SCCS(C)(=O)=O Amb24368886 [0,0,0,0,1,0|2,0,0]=3 178 B9R0.56 CC(=O)SCCS(O)(=O)=O Amb21857874 [0,0,0,0,1,0|1,0,0]=2 179 B9R0.56 CC(Br)CCCS(C)(=O)=O Amb24513822 [0,0,0,0,1,0|2,0,1]=4 180 B9R0.56 CC(C)CCCS(=O)(=O)Cl Amb24478902 [0,0,0,0,1,0|2,0,1]=4 181 B9R0.56 CC(C)CCCS(N)(=O)=O Amb24479274 [0,0,0,0,1,0|2,0,1]=4 182 B9R0.56 CC(C)CCNS(O)(=O)=O Amb25378775 [0,0,0,0,1,0|2,0,1]=4 183 B9R0.56 CC(C)CCOS(O)(=O)=O Amb24541607 [0,0,0,0,1,0|2,0,1]=4 184 B9R0.56 CC(C)NCCS(C)(=O)=O Amb18800964 [0,0,0,0,1,0|2,0,1]=4 185 B9R0.56 CC(C)NCCS(O)(=O)=O Amb25323890 [0,0,0,0,1,0|1,0,1]=3 186 B9R0.56 CC(Cl)CCCS(C)(=O)=O Amb18325490 [0,0,0,0,1,0|2,0,1]=4 187 B9R0.56 CC(Cl)CCCS(N)(=O)=O Amb24692944 [0,0,0,0,1,0|2,0,1]=4 188 B9R0.56 CC(N)CCCS(C)(=O)=O Amb19029752 [0,0,0,0,1,0|2,0,1]=4 189 B9R0.56 CC(O)CCCS(C)(=O)=O Amb18801118 [0,0,0,0,1,0|1,0,2]=4 190 B9R0.56 CN(C)CCCS(=O)(=O)Cl Amb23450134 [0,0,0,0,1,0|3,0,0]=4 191 B9R0.56 CN(C)CCCS(N)(=O)=O Amb24591471 [0,0,0,0,1,0|3,0,0]=4 192 B9R0.56 CN(C)CCOS(O)(=O)=O Amb19988267 [0,0,0,0,1,0|3,0,0]=4 193 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [0,0,0,0,1,0|3,0,0]=4 194 B9R0.56 CS(=O)(=O)CCCC(N)=O Amb18409109 [0,0,0,0,1,0|2,0,0]=3 195 B9R0.56 CS(=O)(=O)CCNC(N)=N Amb18182623 [0,0,0,0,1,0|3,0,0]=4 196 B9R0.56 CS(=O)(=O)CCNC(N)=O Amb18792761 [0,0,0,0,1,0|2,0,0]=3 197 B9R0.56 CS(=O)(=O)CCNC(N)=S Amb18322057 [0,0,0,0,1,0|2,1,0]=4 198 B9R0.56 CS(=O)(=O)CCOC(=O)Cl Amb22002153 [0,0,0,0,1,0|3,0,0]=4 199 B9R0.56 CS(=O)(=O)OCCC(O)=O Amb25288145 [0,0,0,0,1,0|3,0,0]=4 200 B9R0.56 NC(=N)NCCS(N)(=O)=O Amb18798480 [0,0,0,0,1,0|3,0,0]=4 201 B9R0.56 NC(=N)SCCS(O)(=O)=O Amb22002020 [0,0,0,0,1,0|3,0,0]=4 202 B9R0.56 NC(=O)CCNS(=O)(=O)C Amb17232584 [0,0,0,0,1,0|3,0,0]=4 203 B9R0.56 NC(=O)CCNS(N)(=O)=O Amb25851829 [0,0,0,0,1,0|3,0,0]=4 204 B9R0.56 NC(=O)CCSS(=O)(=O)C Amb10069995 [0,0,0,0,1,0|3,0,0]=4 205 B9R0.56 NC(=O)NCCS(O)(=O)=O Amb24710318 [0,0,0,0,1,0|1,0,0]=2 206 B9R0.56 OC(=O)CCCP(O)(O)=O Amb17671941 [0,0,0,0,1,0|2,0,1]=4 207 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [0,0,0,0,1,0|2,0,0]=3 208 B9R0.56 OC(=O)CCNS(=O)(=O)C Amb1116751 [0,0,0,0,1,0|3,0,0]=4 209 B9R0.56 OC(=O)CCNS(O)(=O)=O Amb24479473 [0,0,0,0,1,0|2,0,0]=3 210 B9R0.56 OC(=O)CCOS(O)(=O)=O Amb24482181 [0,0,0,0,1,0|2,0,0]=3 211 B9R0.56 OC(=O)CCSS(=O)(=O)C Amb10071647 [0,0,0,0,1,0|3,0,0]=4 212 B9R0.56 OC(=O)CNCP(O)(=O)=O Amb25282213 [0,0,0,0,1,0|3,0,0]=4 213 B9R0.56 OC(=O)\C=C\CS(O)(=O)=O Amb25185208 [0,0,0,0,1,0|1,0,2]=4 214 B11R0.31 CC(=O)NCCCOS(C)(=O)=O Amb25054764 [0,0,0,0,0,1|1,0,0]=2 215 B11R0.31 CS(=O)(=O)CCOCCC(O)=O Amb23453010 [0,0,0,0,0,1|3,0,0]=4 216 B8R0.7 C=CNCCCC(O)=O Amb25146209 [2,0,0,0,0,0|1,0,1]=4 217 B8R0.7 CC(=O)CCCCC=O Amb18642609 [2,0,0,0,0,0|2,0,0]=4 218 B8R0.7 CC(=O)NCCCC#C Amb24477716 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.7 CC(=O)NCCCC=O Amb22896811 [2,0,0,0,0,0|1,0,0]=3 220 B8R0.7 CC(=O)NCCCCN Amb21520291 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.7 CC(=O)NCCNC=O Amb25707099 [2,0,0,0,0,0|2,0,0]=4 222 B8R0.7 CC(=O)NCCSC=O Amb24670235 [2,0,0,0,0,0|2,0,0]=4 223 B8R0.7 CC(=O)OCCCCO Amb25714960 [2,0,0,0,0,0|2,0,0]=4 224 B8R0.7 CC(=O)SCCCC=O Amb22524698 [2,0,0,0,0,0|2,0,0]=4 225 B8R0.7 CC(=O)SCCCCO Amb25049205 [2,0,0,0,0,0|2,0,0]=4 226 B8R0.7 CCCCCNC(C)=O Amb17797593 [2,0,0,0,0,0|2,0,0]=4 227 B8R0.7 CNCCCNC(C)=O Amb19346187 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.7 CONCCCC(O)=O Amb24647348 [2,0,0,0,0,0|2,0,0]=4 229 B8R0.7 CS(=O)CCCNC=O Amb24481711 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.7 CSCCCNC(C)=O Amb24546713 [2,0,0,0,0,0|1,0,1]=4 231 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [2,0,0,0,0,0|2,0,0]=4 232 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [2,0,0,0,0,0|2,0,0]=4 233 B8R0.7 NC(=O)CCCNC=O Amb24725181 [2,0,0,0,0,0|2,0,0]=4 234 B8R0.7 NC(=O)NCCCCO Amb25146104 [2,0,0,0,0,0|2,0,0]=4 235 B8R0.7 NCCCCNC(=O)C Amb17053700 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.7 NOCCCNC(=O)C Amb17138378 [2,0,0,0,0,0|1,1,0]=4 237 B8R0.7 O=CCCCOC(=O)C Amb17593367 [2,0,0,0,0,0|2,0,0]=4 238 B8R0.7 OC(=O)CCCCC=O Amb18642763 [2,0,0,0,0,0|2,0,0]=4 239 B8R0.7 OC(=O)CCCNC=O Amb18305404 [2,0,0,0,0,0|1,0,0]=3 240 B8R0.7 OCCCCNC(=O)C Amb17102977 [2,0,0,0,0,0|1,0,0]=3 241 B8R0.21 BrCCCCS(=O)(=O)O Amb10601732 [2,0,0,0,0,0|1,0,1]=4 242 B8R0.21 C=CCCCS(=O)(=O)Cl Amb18224408 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.21 C=CCCCS(=O)(=O)F Amb25821976 [2,0,0,0,0,0|1,0,1]=4 244 B8R0.21 C=CCCCS(N)(=O)=O Amb19515400 [2,0,0,0,0,0|1,0,1]=4 245 B8R0.21 CCCCCS(=O)(=O)N Amb16191925 [2,0,0,0,0,0|1,0,1]=4 246 B8R0.21 CCCCCS(=O)(=O)O Amb10844728 [2,0,0,0,0,0|0,0,1]=3 247 B8R0.21 CCCCCS(O)(=O)=O Amb22348176 [2,0,0,0,0,0|0,0,1]=3 248 B8R0.21 CCCCOS(O)(=O)=O Amb22169780 [2,0,0,0,0,0|1,0,1]=4 249 B8R0.21 CCCNCS(O)(=O)=O Amb25363927 [2,0,0,0,0,0|1,0,1]=4 250 B8R0.21 CCNCCS(C)(=O)=O Amb18523815 [2,0,0,0,0,0|1,0,1]=4 251 B8R0.21 CCNCCS(O)(=O)=O Amb25771837 [2,0,0,0,0,0|0,0,1]=3 252 B8R0.21 CNCCCS(C)(=O)=O Amb18304934 [2,0,0,0,0,0|1,0,0]=3 253 B8R0.21 CNCCCS(O)(=O)=O Amb25690771 [2,0,0,0,0,0|0,0,0]=2 254 B8R0.21 CNCCNS(C)(=O)=O Amb19410469 [2,0,0,0,0,0|2,0,0]=4 255 B8R0.21 CNCCNS(N)(=O)=O Amb25102493 [2,0,0,0,0,0|2,0,0]=4 256 B8R0.21 CNCCSS(=O)(=O)C Amb17617161 [2,0,0,0,0,0|2,0,0]=4 257 B8R0.21 CNCCSS(C)(=O)=O Amb25249229 [2,0,0,0,0,0|2,0,0]=4 258 B8R0.21 CNCCSS(O)(=O)=O Amb25772807 [2,0,0,0,0,0|1,0,0]=3 259 B8R0.21 COCCCS(=O)(=O)Cl Amb18538494 [2,0,0,0,0,0|2,0,0]=4 260 B8R0.21 COCCCS(=O)(=O)F Amb20623730 [2,0,0,0,0,0|2,0,0]=4 261 B8R0.21 COCCCS(N)(=O)=O Amb18791542 [2,0,0,0,0,0|2,0,0]=4 262 B8R0.21 COCCCS(O)(=O)=O Amb22523485 [2,0,0,0,0,0|1,0,0]=3 263 B8R0.21 CONCCS(N)(=O)=O Amb24436689 [2,0,0,0,0,0|2,0,0]=4 264 B8R0.21 CS(=O)(=O)CCCC=O Amb18181110 [2,0,0,0,0,0|1,0,0]=3 265 B8R0.21 CS(=O)(=O)CCCNN Amb21618681 [2,0,0,0,0,0|2,0,0]=4 266 B8R0.21 CS(=O)(=O)CCNC=O Amb25143965 [2,0,0,0,0,0|1,0,0]=3 267 B8R0.21 CSCCCS(N)(=O)=O Amb25032148 [2,0,0,0,0,0|2,0,0]=4 268 B8R0.21 N#CCCCS(O)(=O)=O Amb24428958 [2,0,0,0,0,0|1,0,1]=4 269 B8R0.21 NS(=O)(=O)CCNC=O Amb24524173 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.21 O=CCCNS(=O)(=O)C Amb17102226 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.21 OCNCCS(O)(=O)=O Amb24478715 [2,0,0,0,0,0|0,0,2]=4 272 B8R0.21 OS(=O)(=O)CCCCBr Amb24467015 [2,0,0,0,0,0|1,0,1]=4 273 B10R0.22 CCCCCCCS(O)(=O)=O Amb22266617 [1,1,0,0,0,0|1,0,1]=4 274 B10R0.22 NCCNCCCS(O)(=O)=O Amb22489784 [1,1,0,0,0,0|0,0,1]=3 275 B10R0.60 O=CN(CCCP(=O)(O)[O-])O Amb17614617 [1,1,0,0,0,0|1,0,1]=4 276 B10R0.109 C[C@@H](COS(C)(=O)=O)NC=O Amb24523125 [1,1,0,0,0,0|2,0,0]=4 277 B10R0.55 CC(=O)CCCCC(=O)OC Amb21858863 [1,1,0,0,0,0|2,0,0]=4 278 B10R0.55 CC(=O)NCCCC(=O)NN Amb24750804 [1,1,0,0,0,0|2,0,0]=4 279 B10R0.55 CC(=O)NCCCC(N)=NO Amb18182415 [1,1,0,0,0,0|2,0,0]=4 280 B10R0.55 CC(CCCNC(C)=O)=NO Amb25384724 [1,1,0,0,0,0|2,0,0]=4 281 B10R0.55 CCC(=O)NCCCC(=O)O Amb1121482 [1,1,0,0,0,0|1,0,0]=3 282 B10R0.55 CNC(=O)NCCCC(O)=O Amb18305512 [1,1,0,0,0,0|1,0,0]=3 283 B10R0.55 NCC(=O)NCCCC(O)=O Amb18182502 [1,1,0,0,0,0|1,0,0]=3 284 B10R0.96 CC(=O)CCC(C)NC(C)=O Amb25385797 [1,1,0,0,0,0|2,0,0]=4 285 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [1,1,0,0,0,0|1,0,0]=3 286 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [1,1,0,0,0,0|1,0,0]=3 287 B10R0.96 CC(=O)NN(C)CCC(O)=O Amb24764551 [1,1,0,0,0,0|2,0,0]=4 288 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [1,1,0,0,0,0|2,0,0]=4 289 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [1,1,0,0,0,0|1,0,0]=3 290 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [1,1,0,0,0,0|1,0,0]=3 291 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [1,1,0,0,0,0|1,0,0]=3 292 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [1,1,0,0,0,0|2,0,0]=4 293 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [1,1,0,0,0,0|2,0,0]=4 294 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [1,1,0,0,0,0|2,0,0]=4 295 B10R0.98 CC(CCNC(C)=O)S(C)=O Amb25382104 [1,1,0,0,0,0|1,0,1]=4 296 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [1,1,0,0,0,0|2,0,0]=4 297 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [1,1,0,0,0,0|2,0,0]=4 298 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [1,1,0,0,0,0|2,0,0]=4 299 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [1,1,0,0,0,0|2,0,0]=4 300 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [1,1,0,0,0,0|2,0,0]=4 301 B10R0.12 CC(=O)NCC(O)P(O)(O)=O Amb25151913 [0,1,0,0,1,0|1,0,1]=4 302 B10R0.12 CC(=O)NC[C@@H](O)P(O)(O)=O Amb25285711 [0,1,0,0,1,0|1,0,1]=4 303 B10R0.12 CC(CCC(O)=O)S(O)(=O)=O Amb25386031 [0,1,0,0,1,0|1,0,0]=3 304 B10R0.12 CC(CNC(N)=O)S(O)(=O)=O Amb24374995 [0,1,0,0,1,0|1,0,0]=3 305 B10R0.12 CC(CNS(C)=O)S(N)(=O)=O Amb24765990 [0,1,0,0,1,0|2,0,0]=4 306 B10R0.12 CC(NCC(N)=O)S(O)(=O)=O Amb24764816 [0,1,0,0,1,0|2,0,0]=4 307 B10R0.31 CC(=C)CC(N)CS(C)(=O)=O Amb24750547 [0,1,0,0,1,0|2,0,0]=4 308 B10R0.31 CC(=C)CC(O)CS(C)(=O)=O Amb24754872 [0,1,0,0,1,0|2,0,0]=4 309 B10R0.31 CC(C)C[C@H](N)CS(O)(=O)=O Amb24764550 [0,1,0,0,1,0|1,0,1]=4 310 B10R0.31 CC(CS(C)(=O)=O)NC(C)=O Amb25151323 [0,1,0,0,1,0|1,0,0]=3 311 B10R0.31 CC(CS(C)(=O)=O)NC(N)=O Amb25151324 [0,1,0,0,1,0|2,0,0]=4 312 B10R0.31 CC(CS(O)(=O)=O)NC(C)=O Amb25243045 [0,1,0,0,1,0|0,0,0]=2 313 B10R0.31 NC(=O)NC(=O)CS(O)(=O)=O Amb24442989 [0,1,0,0,1,0|1,0,1]=4 314 B10R0.65 CC(=O)NCCS(=O)(=O)C=C Amb25384768 [0,1,0,0,1,0|1,0,0]=3 315 B10R0.92 CC(=C)C(=O)CCS(O)(=O)=O Amb24765125 [0,1,0,0,1,0|1,0,1]=4 316 B10R0.92 CC(=N)N(C)CCS(C)(=O)=O Amb25383503 [0,1,0,0,1,0|2,0,0]=4 317 B10R0.92 CC(=O)N(C)CCS(C)(=O)=O Amb25383505 [0,1,0,0,1,0|1,0,0]=3 318 B10R0.92 CC(CCS(C)(=O)=O)C(C)=O Amb18180834 [0,1,0,0,1,0|1,0,0]=3 319 B10R0.92 CC(CCS(C)(=O)=O)C(O)=O Amb18305099 [0,1,0,0,1,0|2,0,0]=4 320 B10R0.92 CN(CCS(C)(=O)=O)C(=O)Cl Amb24755175 [0,1,0,0,1,0|2,0,0]=4 321 B10R0.92 CN(CCS(C)(=O)=O)C(N)=O Amb24755168 [0,1,0,0,1,0|2,0,0]=4 322 B10R0.92 CN(CCS(O)(=O)=O)C(N)=N Amb24764824 [0,1,0,0,1,0|2,0,0]=4 323 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(O)=O Amb22745329 [0,1,0,0,1,0|2,0,0]=4 324 B10R0.92 CS(=O)(=O)CC[C@H](N)C(N)=O Amb24764706 [0,1,0,0,1,0|2,0,0]=4 325 B10R0.92 NC(CSS(O)(=O)=O)C(O)=O Amb25384388 [0,1,0,0,1,0|2,0,0]=4 326 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O Amb22230810 [0,1,0,0,1,0|1,0,0]=3 327 B10R0.92 N[C@@H](COS(O)(=O)=O)C(O)=O Amb22800081 [0,1,0,0,1,0|2,0,0]=4 328 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O Amb22348198 [0,1,0,0,1,0|2,0,0]=4 329 B10R0.92 N[C@H](CSS(O)(=O)=O)C(O)=O Amb25384507 [0,1,0,0,1,0|2,0,0]=4 330 B10R0.92 OC(=O)C(CCS(=O)(=O)C)N Amb1905637 [0,1,0,0,1,0|2,0,0]=4 331 B10R0.92 OC(CCS(O)(=O)=O)C(O)=O Amb25385005 [0,1,0,0,1,0|1,0,0]=3 332 B10R0.113 CC(C)(C)NCCS(O)(=O)=O Amb24766240 [0,1,0,0,1,0|1,0,1]=4 333 B10R0.113 CS(=O)(=O)CCCS(=O)(=O)Cl Amb19515338 [0,1,0,0,1,0|2,0,0]=4 334 B10R0.113 CS(=O)(=O)CCCS(C)(=O)=O Amb20000981 [0,1,0,0,1,0|2,0,0]=4 335 B10R0.113 CS(=O)(=O)CCCS(N)(=O)=O Amb25379953 [0,1,0,0,1,0|2,0,0]=4 336 B10R0.113 CS(=O)(=O)CCNS(=O)(=O)C Amb16971540 [0,1,0,0,1,0|2,0,0]=4 337 B10R0.113 CS(=O)(=O)NCCS(=O)(=O)Cl Amb25383497 [0,1,0,0,1,0|2,0,0]=4 338 B10R0.113 C[Si](C)(C)CCCS(O)(=O)=O Amb24765860 [0,1,0,0,1,0|1,1,0]=4 339 B10R0.113 OS(=O)(=O)CCCS(O)(=O)=O Amb22349658 [0,1,0,0,1,0|2,0,0]=4 340 B12R0.150 COC(=O)CCCCCS(=O)(=O)Cl Amb19374238 [0,1,0,0,0,1|2,0,0]=4 341 B12R0.264 C=C(CCCCS(O)(=O)=O)C([O-])=O Amb22733963 [0,1,0,0,0,1|2,0,0]=4 342 B12R0.264 CC(=C)C(=O)OCCCS(O)(=O)=O Amb22351433 [0,1,0,0,0,1|2,0,0]=4 343 B12R0.638 CS(=O)(=O)NCCCNS(=O)(=O)C Amb11231730 [0,1,0,0,0,1|2,0,0]=4 344 B12R0.72 CCOC(=O)CCCCS(=O)(=O)Cl Amb22896705 [0,2,0,0,0,0|2,0,0]=4 345 B12R0.72 CCOC(=O)NCCOS(C)(=O)=O Amb25366194 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.28 CS(=O)(=O)C1CCNCC1 Amb17502255 [1,0,0,1,0,0|1,0,1]=4 347 B10R1.28 CS(=O)(=O)C1CCNCC1 Amb20669193 [1,0,0,1,0,0|1,0,1]=4 348 B10R1.28 NS(=O)(=O)C1CC=CCC1 Amb24546259 [1,0,0,1,0,0|2,0,0]=4 349 B10R1.28 NS(=O)(=O)C1CCNCC1 Amb18279018 [1,0,0,1,0,0|1,0,1]=4 350 B10R1.28 NS(=O)(=O)C1CCNCC1 Amb19350562 [1,0,0,1,0,0|1,0,1]=4 351 B10R1.28 O=S(=O)(Cl)C1CCNCC1 Amb24524623 [1,0,0,1,0,0|1,0,1]=4 352 B10R1.28 O=S(=O)(F)C1CCNCC1 Amb25175816 [1,0,0,1,0,0|1,0,1]=4 353 B10R1.28 OS(=O)(=O)C1CCNCC1 Amb22352521 [1,0,0,1,0,0|0,0,1]=3 354 B10R1.28 OS(=O)(=O)C1CNCCC1 Amb22372273 [1,0,0,1,0,0|2,0,0]=4 355 B10R1.65 NS(=O)(=O)C1CCCC1=O Amb24620165 [1,0,0,1,0,0|2,0,0]=4 356 B10R1.65 NS(=O)(=O)C1CCOC1=O Amb24078815 [1,0,0,1,0,0|2,0,0]=4 357 B10R1.65 O=C1CCCC1S(=O)(=O)C Amb13953068 [1,0,0,1,0,0|2,0,0]=4 358 B10R1.65 O=C1OCCC1S(=O)(=O)Cl Amb25132114 [1,0,0,1,0,0|2,0,0]=4 359 B10R1.95 CCNC1CCS(=O)(=O)C1 Amb1154181 [1,0,0,1,0,0|1,0,1]=4 360 B10R1.95 CONC1CS(=O)(=O)CC1 Amb18669664 [1,0,0,1,0,0|2,0,0]=4 361 B10R1.95 O=CCC1CCS(=O)(=O)C1 Amb17063298 [1,0,0,1,0,0|2,0,0]=4 362 B10R1.171 O=CC1CCCS(=O)(=O)N1 Amb24424267 [1,0,0,1,0,0|2,0,0]=4 363 B10R1.276 CC1CS(=O)(=O)CCCN1 Amb25777249 [1,0,0,1,0,0|1,0,1]=4 364 B10R1.276 O=C1CCCCS(=O)(=O)C1 Amb10071768 [1,0,0,1,0,0|2,0,0]=4 365 B10R1.276 O=C1NCCCS(=O)(=O)S1 Amb24477307 [1,0,0,1,0,0|0,1,0]=3 366 B10R1.276 O=C1NS(=O)(=O)CCCN1 Amb24743380 [1,0,0,1,0,0|1,0,0]=3 367 B10R1.281 CS(=O)(=O)CC1CNCC1 Amb25726460 [1,0,0,1,0,0|1,0,1]=4 368 B10R1.281 NS(=O)(=O)CC1CNCC1 Amb22757958 [1,0,0,1,0,0|1,0,1]=4 369 B10R1.281 OS(=O)(=O)CC1CNCC1 Amb24375701 [1,0,0,1,0,0|0,0,1]=3 370 B10R1.54 CC(=O)CC1CCC(=O)O1 Amb25146882 [1,0,0,1,0,0|2,0,0]=4 371 B10R1.54 CC(=O)NC1CS(=O)CC1 Amb24352917 [1,0,0,1,0,0|1,0,1]=4 372 B10R1.54 OC(=O)CC1CC(=O)CC1 Amb18643816 [1,0,0,1,0,0|2,0,0]=4 373 B10R1.54 OC(=O)CC1CC(=O)NC1 Amb18831602 [1,0,0,1,0,0|1,0,0]=3 374 B10R1.54 OC(=O)CC1CC(=O)OC1 Amb20669416 [1,0,0,1,0,0|2,0,0]=4 375 B10R1.54 OC(=O)CC1CNC(=O)O1 Amb18644185 [1,0,0,1,0,0|2,0,0]=4 376 B10R1.54 OC(=O)C[C@@H]1CC(=O)CC1 Amb22898751 [1,0,0,1,0,0|2,0,0]=4 377 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 Amb25147304 [1,0,0,1,0,0|2,0,0]=4 378 B10R1.54 OC(=O)C[C@H]1CC(=O)CC1 Amb24480441 [1,0,0,1,0,0|2,0,0]=4 379 B10R1.54 OC(=O)C[C@H]1CC(=O)NC1 Amb24410373 [1,0,0,1,0,0|1,0,0]=3 380 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 Amb24529265 [1,0,0,1,0,0|2,0,0]=4 381 B10R1.71 O=C1CCCNC(=O)CO1 Amb24504877 [1,0,0,1,0,0|1,0,0]=3 382 B10R1.71 O=C1CNC(=O)CCCN1 Amb25324415 [1,0,0,1,0,0|2,0,0]=4 383 B10R1.82 CC(=O)CCC1CC(=O)O1 Amb24480561 [1,0,0,1,0,0|2,0,0]=4 384 B10R1.82 OC(=O)CCC1CC(=O)C1 Amb25770415 [1,0,0,1,0,0|2,0,0]=4 385 B10R1.82 OC(=O)CS[C@@H]1CC(=O)N1 Amb24635723 [1,0,0,1,0,0|2,0,0]=4 386 B10R1.113 CC(=O)C1CC(=O)NCC1 Amb24511548 [1,0,0,1,0,0|2,0,0]=4 387 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [1,0,0,1,0,0|2,0,0]=4 388 B10R1.113 CC(=O)N1CC(=O)CCC1 Amb18831760 [1,0,0,1,0,0|2,0,0]=4 389 B10R1.113 CC(=O)N1C[C@@H](O)CCC1 Amb22227529 [1,0,0,1,0,0|2,0,0]=4 390 B10R1.113 CC(=O)N1C[C@H](O)CCC1 Amb22227493 [1,0,0,1,0,0|2,0,0]=4 391 B10R1.113 CC(O)C1CCNC(=O)C1 Amb25137865 [1,0,0,1,0,0|2,0,0]=4 392 B10R1.113 CC=1NCC[C@H](N1)C(O)=O Amb22348409 [1,0,0,1,0,0|2,0,0]=4 393 B10R1.113 NC(=O)C1CC(=O)NCC1 Amb25147355 [1,0,0,1,0,0|2,0,0]=4 394 B10R1.113 OC(=O)C1CC(=O)NCC1 Amb18831603 [1,0,0,1,0,0|1,0,0]=3 395 B10R1.113 OC(=O)C1CC(=O)NNC1 Amb22546429 [1,0,0,1,0,0|2,0,0]=4 396 B10R1.113 OC(=O)C1CCNC(=N1)C Amb16193456 [1,0,0,1,0,0|2,0,0]=4 397 B10R1.113 OC(=O)C1CCNC(=O)N1 Amb24659979 [1,0,0,1,0,0|2,0,0]=4 398 B10R1.113 OC(=O)[C@@H]1CC(=O)CCC1 Amb24460815 [1,0,0,1,0,0|2,0,0]=4 399 B10R1.113 OC(=O)[C@H]1CCNC(=O)N1 Amb24479098 [1,0,0,1,0,0|2,0,0]=4 400 B10R1.113 OP(=O)C1CC(=O)CCC1 Amb24690607 [1,0,0,1,0,0|2,0,0]=4 401 B10R1.126 CC(=O)NCCCC1CO1 Amb24477209 [1,0,0,1,0,0|2,0,0]=4 402 B10R1.128 CC(=O)N1CCCS1(=O)=O Amb25725312 [1,0,0,1,0,0|0,0,0]=2 403 B10R1.128 CC(C)N1CCCS1(=O)=O Amb20075631 [1,0,0,1,0,0|1,0,1]=4 404 B10R1.128 OC(=O)C1CCCS1(=O)=O Amb22886525 [1,0,0,1,0,0|2,0,0]=4 405 B10R1.351 CC(=O)CN1CCS1(=O)=O Amb24584595 [1,0,0,1,0,0|2,0,0]=4 406 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [1,0,0,1,0,0|2,0,0]=4 407 B10R1.361 CC(=O)N1CCC1C(C)=O Amb25195213 [1,0,0,1,0,0|2,0,0]=4 408 B10R1.361 CC(=O)N1CCC1C(O)=O Amb24077473 [1,0,0,1,0,0|1,0,0]=3 409 B10R1.361 CC(=O)N1CC[C@H]1C(O)=O Amb25113483 [1,0,0,1,0,0|1,0,0]=3 410 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [1,0,0,1,0,0|2,0,0]=4 411 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [1,0,0,1,0,0|2,0,0]=4 412 B10R1.361 CC(O)C1CCN1C(C)=O Amb24511831 [1,0,0,1,0,0|2,0,0]=4 413 B10R1.361 CS(=O)N1CCC1C(O)=O Amb24522746 [1,0,0,1,0,0|2,0,0]=4 414 B10R1.361 NC(=O)N1CCC1C(O)=O Amb24522708 [1,0,0,1,0,0|2,0,0]=4 415 B10R1.368 CC(=O)C1CC1NC(C)=O Amb18831758 [1,0,0,1,0,0|2,0,0]=4 416 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [1,0,0,1,0,0|1,0,0]=3 417 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [1,0,0,1,0,0|2,0,0]=4 418 B10R1.55 CS(=O)(=O)C1CNC(=O)C1 Amb25073852 [0,0,0,1,1,0|1,0,0]=3 419 B10R1.55 O=C1CC(CN1)S(=O)(=O)F Amb25299794 [0,0,0,1,1,0|1,0,0]=3 420 B10R1.55 OS(=O)(=O)C1NC(=O)CS1 Amb25827594 [0,0,0,1,1,0|2,0,0]=4 421 B10R1.112 O=C1CC(CS(=O)(=O)F)N1 Amb24562973 [0,0,0,1,1,0|1,0,0]=3 422 B10R1.302 O=C1CCS(=O)(=O)CCN1 Amb21960894 [0,0,0,1,1,0|1,0,0]=3 423 B10R1.347 CS(=O)(=O)C1CC1C(O)=O Amb23570247 [0,0,0,1,1,0|2,0,0]=4 424 B10R1.359 CC(=O)C1CS(=O)(=O)CC1 Amb18792421 [0,0,0,1,1,0|1,0,0]=3 425 B10R1.359 O=C(Cl)C1CS(=O)(=O)CC1 Amb23554337 [0,0,0,1,1,0|2,0,0]=4 426 B10R1.359 OC(=O)C1CCS(=O)(=O)C1 Amb2568469 [0,0,0,1,1,0|2,0,0]=4 427 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,1,0|2,0,0]=4 428 B10R1.359 [O-]C(=O)C1CS(=O)(=O)CC1 Amb24121199 [0,0,0,1,1,0|2,0,0]=4 429 B10R1.371 CC(=N)NC1CS(=O)(=O)C1 Amb24607141 [0,0,0,1,1,0|2,0,0]=4 430 B10R1.371 NC(=O)NC1CS(=O)(=O)C1 Amb24571420 [0,0,0,1,1,0|2,0,0]=4 431 B10R1.371 OC(=O)CC1CS(=O)(=O)C1 Amb22386897 [0,0,0,1,1,0|2,0,0]=4 432 B12R1.836 CS(=O)(=O)CCC1CC(=O)CC1 Amb25152471 [0,0,0,1,0,1|2,0,0]=4 433 B12R1.836 CS(=O)(=O)CCN1CC(=O)CC1 Amb18320204 [0,0,0,1,0,1|2,0,0]=4 434 B12R1.836 CS(=O)(=O)OC[C@@H]1CNC(=O)O1 Amb25289060 [0,0,0,1,0,1|2,0,0]=4 435 B12R1.872 O=C1CC(CCCN1)S(=O)(=O)Cl Amb25303685 [0,0,0,1,0,1|1,0,0]=3 436 B12R1.1806 CC(=C)CNC1CS(=O)(=O)CC1 Amb18296124 [0,0,0,1,0,1|2,0,0]=4 437 B12R1.1806 CC(=N)NCC1CS(=O)(=O)CC1 Amb24678637 [0,0,0,1,0,1|2,0,0]=4 438 B12R1.1806 CC(=O)NCC1CCS(=O)(=O)C1 Amb13849871 [0,0,0,1,0,1|1,0,0]=3 439 B12R1.1806 CC(C)=NNC1CS(=O)(=O)CC1 Amb22049719 [0,0,0,1,0,1|2,0,0]=4 440 B12R1.1806 NC(=O)CNC1CCS(=O)(=O)C1 Amb1130695 [0,0,0,1,0,1|2,0,0]=4 441 B12R1.1806 OC(=O)CNC1CCS(=O)(=O)C1 Amb2522953 [0,0,0,1,0,1|2,0,0]=4 442 B12R1.1806 OC(=O)CNC1CS(=O)(=O)CC1 Amb19373073 [0,0,0,1,0,1|2,0,0]=4 443 B12R1.1810 CC(=O)NCCC1CS(=O)(=O)C1 Amb24380618 [0,0,0,1,0,1|1,0,0]=3 444 B12R1.1821 CC(=O)NC=1NCCS(=O)(=O)N1 Amb25702509 [0,0,0,1,0,1|1,0,1]=4 445 B12R1.1821 NC(=O)NC1CS(=O)(=O)CCC1 Amb24603944 [0,0,0,1,0,1|2,0,0]=4 446 B12R1.106 CS(=O)(=O)CC1CCC(=O)CC1 Amb25712466 [0,1,0,1,0,0|2,0,0]=4 447 B12R1.106 NS(=O)(=O)NC1CNC(=O)CC1 Amb25751690 [0,1,0,1,0,0|2,0,0]=4 448 B12R1.844 CC(=O)CC1CS(=O)(=O)CC1O Amb25127074 [0,1,0,1,0,0|2,0,0]=4 449 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1=O Amb25324457 [0,1,0,1,0,0|1,0,1]=4 450 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1[NH3+] Amb2500795 [0,1,0,1,0,0|1,0,0]=3 451 B12R1.844 CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N Amb16202451 [0,1,0,1,0,0|1,0,0]=3 452 B12R1.844 CC(=O)O[C@H]1CS(=O)(=O)C[C@@H]1Cl Amb24641518 [0,1,0,1,0,0|2,0,0]=4 453 B12R1.844 CC(=O)SC1CS(=O)(=O)CC1Br Amb2548773 [0,1,0,1,0,0|2,0,0]=4 454 B12R1.844 CS(=O)NC1CS(=O)(=O)CC1Cl Amb24753157 [0,1,0,1,0,0|2,0,0]=4 455 B12R1.844 C[C@H]1CS(=O)(=O)C[C@H]1NC(C)=O Amb25791683 [0,1,0,1,0,0|1,0,0]=3 456 B12R1.844 C[C@H]1CS(=O)(=O)C[C@H]1NC(N)=O Amb24746970 [0,1,0,1,0,0|2,0,0]=4 457 B12R1.844 NC(=O)NC1CS(=O)(=O)CC1O Amb2548455 [0,1,0,1,0,0|2,0,0]=4 458 B12R1.1381 CC(=O)N1CC(C1)OS(C)(=O)=O Amb22886972 [0,1,0,1,0,0|2,0,0]=4 459 B12R1.254 NC(=O)N1CC(CC1)S(N)(=O)=O Amb24593751 [0,1,0,1,0,0|2,0,0]=4 460 B12R1.1019 CS(=O)(=O)N1CCNC(=O)CC1 Amb19078919 [0,1,0,1,0,0|2,0,0]=4 461 B12R1.1019 NS(=O)(=O)N1CCNC(=O)CC1 Amb18324644 [0,1,0,1,0,0|2,0,0]=4 462 B12R1.1393 CC(=O)NC1CN(C1)S(C)(=O)=O Amb25052645 [0,1,0,1,0,0|2,0,0]=4 463 B12R1.228 CC1C(=O)NCCN1S(C)(=O)=O Amb25776562 [0,1,0,1,0,0|2,0,0]=4 464 B12R1.228 CC1C(=O)NCCN1S(N)(=O)=O Amb24717637 [0,1,0,1,0,0|2,0,0]=4 465 B12R1.1221 CC1C(COS(C)(=O)=O)NC1=O Amb24581261 [0,1,0,1,0,0|2,0,0]=4 466 B12R1.1221 C[C@@H]1[C@H](COS(C)(=O)=O)NC1=O Amb24584049 [0,1,0,1,0,0|2,0,0]=4 467 B12R1.1221 NC1C(COS(N)(=O)=O)NC1=O Amb24392802 [0,1,0,1,0,0|2,0,0]=4 468 B12R1.1221 N[C@@H]1[C@H](COS(N)(=O)=O)NC1=O Amb24594353 [0,1,0,1,0,0|2,0,0]=4 469 B12R1.1673 BrCC(=O)NC1CCS(=O)(=O)C1 Amb17333425 [0,1,0,1,0,0|1,0,0]=3 470 B12R1.1673 C#CC(=O)NC1CS(=O)(=O)CC1 Amb25056563 [0,1,0,1,0,0|1,0,1]=4 471 B12R1.1673 CCC(=N)NC1CS(=O)(=O)CC1 Amb24361086 [0,1,0,1,0,0|2,0,0]=4 472 B12R1.1673 CCC(=O)CC1CS(=O)(=O)CC1 Amb19061031 [0,1,0,1,0,0|2,0,0]=4 473 B12R1.1673 CCC(=O)OC1CS(=O)(=O)CC1 Amb24397709 [0,1,0,1,0,0|2,0,0]=4 474 B12R1.1673 CNC(=N)NC1CCS(=O)(=O)C1 Amb19073376 [0,1,0,1,0,0|2,0,0]=4 475 B12R1.1673 COC(=O)CC1CCS(=O)(=O)C1 Amb1395060 [0,1,0,1,0,0|2,0,0]=4 476 B12R1.1673 COC(=O)NC1CCS(=O)(=O)C1 Amb2459794 [0,1,0,1,0,0|1,0,0]=3 477 B12R1.1673 CSC(=S)NC1CCS(=O)(=O)C1 Amb2548472 [0,1,0,1,0,0|1,1,0]=4 478 B12R1.1673 ClCC(=O)CC1CCS(=O)(=O)C1 Amb17193932 [0,1,0,1,0,0|2,0,0]=4 479 B12R1.1673 ClCC(=O)NC1CCS(=O)(=O)C1 Amb1151092 [0,1,0,1,0,0|1,0,0]=3 480 B12R1.1673 OCC(=O)OC1CS(=O)(=O)CC1 Amb25071357 [0,1,0,1,0,0|2,0,0]=4 481 B12R1.1707 COC(=O)C1CCCS(=O)(=O)N1 Amb25222179 [0,1,0,1,0,0|2,0,0]=4 482 B12R1.1709 COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)Cl Amb24693227 [0,1,0,1,0,0|2,0,0]=4 483 B12R1.3803 NC1C(CNC1=O)CP(O)(O)=O Amb25159550 [0,1,0,1,0,0|1,0,1]=4 484 B12R1.3803 N[C@@H]1[C@H](CNC1=O)CP(O)(O)=O Amb25337567 [0,1,0,1,0,0|1,0,1]=4 485 B12R1.10 C=CS(=O)(=O)N1CC(=O)NCC1 Amb24647995 [0,1,0,1,0,0|2,0,0]=4 486 B12R1.10 CCS(=O)(=O)N1CC(=O)NCC1 Amb19041614 [0,1,0,1,0,0|2,0,0]=4 487 B12R1.10 O=C1CN(CCN1)S(=O)(=O)CCl Amb25355545 [0,1,0,1,0,0|2,0,0]=4 488 B12R1.193 CCS(=O)(=O)NC1CNC(=O)C1 Amb25282280 [0,1,0,1,0,0|2,0,0]=4 489 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 Amb24372305 [0,1,0,1,0,0|1,0,0]=3 490 B12R1.3092 CC(=O)N1CCCS(=O)(=O)CC1 Amb24333971 [0,1,0,1,0,0|1,0,0]=3 491 B12R1.3092 NC(=O)N1CCCS(=O)(=O)CC1 Amb25314095 [0,1,0,1,0,0|2,0,0]=4 492 B12R1.23 CN1CCN(CC1=O)S(C)(=O)=O Amb24442383 [0,1,0,1,0,0|2,0,0]=4 493 B12R1.847 CN1CC(CC1=O)NS(C)(=O)=O Amb25779845 [0,1,0,1,0,0|2,0,0]=4 494 B12R1.847 CN1C[C@H](CC1=O)OS(C)(=O)=O Amb25276711 [0,1,0,1,0,0|2,0,0]=4 495 B12R1.2196 N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O Amb25211247 [0,1,0,1,0,0|2,0,0]=4 496 B12R1.2196 N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O Amb24739782 [0,1,0,1,0,0|2,0,0]=4 497 B12R1.2196 N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O Amb25269446 [0,1,0,1,0,0|2,0,0]=4 498 B12R1.2196 N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O Amb24740765 [0,1,0,1,0,0|2,0,0]=4 499 B12R1.2203 CC(=N)N(C)C1CS(=O)(=O)CC1 Amb24374957 [0,1,0,1,0,0|2,0,0]=4 500 B12R1.2203 CC(C1CS(=O)(=O)CC1)C(C)=O Amb19061032 [0,1,0,1,0,0|2,0,0]=4 501 B12R1.2203 [S-]C(=O)N(C1CCS(=O)(=O)C1)C Amb2548810 [0,1,0,1,0,0|2,0,0]=4 502 B12R1.102 OS(=O)(=O)C1CC(=O)NC(=O)N1 Amb25766626 [0,1,0,1,0,0|1,0,1]=4 503 B12R1.102 OS(=O)(=O)C1CC(=O)NC(=S)N1 Amb24497044 [0,1,0,1,0,0|1,0,1]=4 504 B12R1.862 OS(=O)(=O)C[C@@H]1NC(=O)NC1=O Amb25858878 [0,1,0,1,0,0|1,0,1]=4 505 B12R1.1831 NC(=O)NC1(C)CCS(=O)(=O)C1 Amb1145397 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.237 O=C1NC2C(N1)CS(=O)(=O)C2 Amb2548446 [0,0,0,2,0,0|2,0,0]=4 507 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)CC2N1 Amb22757927 [0,0,0,2,0,0|2,0,0]=4 508 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1 Amb22757916 [0,0,0,2,0,0|2,0,0]=4 509 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)C[C@H]2O1 Amb23503673 [0,0,0,2,0,0|2,0,0]=4 510 B12R2.1061 O=C1CC2(CS(=O)(=O)CC2)N1 Amb25767239 [0,0,0,2,0,0|1,0,0]=3 511 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [1,0,0,0,1,0|2,0,0]=4 512 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [1,0,0,0,1,0|1,0,1]=4 513 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,0,0,0,1,0|2,0,0]=4 514 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,0,0,0,1,0|2,0,0]=4 515 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,1,0|1,0,0]=3 516 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,1,0|2,0,0]=4 517 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,1,0|2,0,0]=4 518 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [1,0,0,0,1,0|1,0,1]=4 519 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [1,0,0,0,1,0|2,0,0]=4 520 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,0,0,0,1,0|2,0,0]=4 521 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,0,0,0,1,0|2,0,0]=4 522 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [1,0,0,0,1,0|2,0,0]=4 523 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,0,0,0,1,0|2,0,0]=4 524 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,0,0,0,1,0|2,0,0]=4 525 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,0,0,0,1,0|2,0,0]=4 526 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,0,0,0,1,0|2,0,0]=4 527 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,0,0,0,1,0|2,0,0]=4 528 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,0,0,0,1,0|1,0,0]=3 529 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,0,0,0,1,0|2,0,0]=4 530 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,0,0,0,1,0|2,0,0]=4 531 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,0,0,0,2,0|1,0,0]=3 532 B8R0.29 CC(=O)CCS(N)(=O)=O Amb25204902 [0,0,0,0,2,0|1,0,0]=3 533 B8R0.29 CC(=O)CNS(C)(=O)=O Amb25723730 [0,0,0,0,2,0|2,0,0]=4 534 B8R0.29 CC(=O)COS(C)(=O)=O Amb24737069 [0,0,0,0,2,0|2,0,0]=4 535 B8R0.29 CC(=O)NCS(C)(=O)=O Amb24356559 [0,0,0,0,2,0|1,0,0]=3 536 B8R0.29 CC(=O)NCS(O)(=O)=O Amb25235237 [0,0,0,0,2,0|0,0,0]=2 537 B8R0.29 CC(=O)NNS(C)(=O)=O Amb24481930 [0,0,0,0,2,0|2,0,0]=4 538 B8R0.29 CC(N)CCS(O)(=O)=O Amb24522970 [0,0,0,0,2,0|1,0,1]=4 539 B8R0.29 C[C@@H](N)CCS(O)(=O)=O Amb22799661 [0,0,0,0,2,0|1,0,1]=4 540 B8R0.29 C[C@H](N)CCS(O)(=O)=O Amb25342455 [0,0,0,0,2,0|1,0,1]=4 541 B8R0.29 NC(=O)CCS(O)(=O)=O Amb24678269 [0,0,0,0,2,0|1,0,0]=3 542 B8R0.29 NC(=O)COS(O)(=O)=O Amb24425511 [0,0,0,0,2,0|2,0,0]=4 543 B8R0.29 NC(=O)NCS([O-])(=O)=O Amb25268923 [0,0,0,0,2,0|1,0,1]=4 544 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,0,0,0,2,0|2,0,0]=4 545 B8R0.29 OC(=O)CCS(=O)(=O)Cl Amb24481869 [0,0,0,0,2,0|2,0,0]=4 546 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [0,0,0,0,2,0|1,0,0]=3 547 B8R0.29 OC(=O)CCS(=O)(=O)S Amb24627680 [0,0,0,0,2,0|1,1,0]=4 548 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [0,0,0,0,2,0|2,0,0]=4 549 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [0,0,0,0,2,0|2,0,0]=4 550 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [0,0,0,0,2,0|2,0,0]=4 551 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [0,0,0,0,2,0|2,0,0]=4 552 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [1,0,0,0,0,1|1,0,0]=3 553 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [1,0,0,0,0,1|2,0,0]=4 554 B10R0.97 CC(=O)NCCOCC(O)=O Amb24271178 [1,0,0,0,0,1|1,0,0]=3 555 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [1,0,0,0,0,1|2,0,0]=4