0 B13R0.1402 CS(=O)(=O)OCC#CCOS(C)(=O)=O Amb25284951 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.1402 CS(=O)(=O)OC\C=C/COS(C)(=O)=O Amb22831579 [0,0,0,0,0,0|0,0,2]=2 2 B13R0.1402 CS(=O)(=O)SCCCCSS(=O)(=O)C Amb10071984 [0,0,0,0,0,0|0,2,0]=2 3 B13R0.1402 [O-]S(=O)(=O)CCCCCSS(=O)(=O)C Amb17620122 [0,0,0,0,0,0|2,1,0]=3 4 B14R0.5678 CS(=O)(=O)OCCC(O)COS(C)(=O)=O Amb24705647 [0,1,0,0,0,0|0,0,0]=1 5 B14R1.13573 CC1(C)OC(CO1)CCOS(C)(=O)=O Amb25722156 [0,0,0,1,0,0|2,0,1]=4 6 B12R0.638 CS(=O)(=O)CCNCCS(C)(=O)=O Amb23452919 [0,0,0,0,1,0|2,0,0]=3 7 B12R0.638 CS(=O)(=O)NCCCNS(=O)(=O)C Amb11231730 [0,0,0,0,1,0|2,0,0]=3 8 B12R0.638 CS(=O)(=O)SCCCSS(=O)(=O)C Amb17619549 [0,0,0,0,1,0|0,2,0]=3 9 B12R0.638 [O-]S(=O)(=O)CCCCSS(=O)(=O)C Amb17620120 [0,0,0,0,1,0|1,1,0]=3 10 B14R0.3010 CS(=O)(=O)OCCCCCOS(=O)(=O)C Amb10575114 [0,0,0,0,0,1|0,0,0]=1 11 B14R0.3010 CS(=O)(=O)OCCOCCOS(=O)(=O)C Amb17612782 [0,0,0,0,0,1|0,0,0]=1 12 B14R0.3010 CS(=O)(=O)SCCCCCSS(=O)(=O)C Amb17619163 [0,0,0,0,0,1|0,2,0]=3 13 B14R0.3010 OS(=O)(=O)OCC[Ba]CCOS(O)(=O)=O Amb22734142 [0,0,0,0,0,1|2,0,0]=3 14 B13R0.1261 CN(S(=O)(=O)C)CCCNS(=O)(=O)C Amb10734453 [0,1,0,0,1,0|2,0,0]=4 15 B13R0.1987 CS(=O)(=O)OC(C)CCOS(C)(=O)=O Amb25375905 [0,1,0,0,1,0|0,0,0]=2 16 B13R0.2444 CC(COS(C)(=O)=O)COS(C)(=O)=O Amb25826268 [0,1,0,0,1,0|0,0,0]=2 17 B13R0.2444 CS(=O)(=O)OCC(=O)COS(C)(=O)=O Amb24084913 [0,1,0,0,1,0|0,0,1]=3 18 B15R0.6123 CN(CCSS(=O)(=O)C)CCSS(=O)(=O)C Amb17609632 [0,1,0,0,0,1|0,2,0]=4 19 B15R0.6058 CS(=O)(=O)OCC(C)C(C)COS(C)(=O)=O Amb25168696 [0,2,0,0,0,0|0,0,0]=2 20 B15R0.6058 CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O Amb22733881 [0,2,0,0,0,0|0,0,0]=2 21 B15R0.6058 CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(C)(=O)=O Amb25745485 [0,2,0,0,0,0|0,0,0]=2 22 B15R0.6058 CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O Amb25746130 [0,2,0,0,0,0|0,0,0]=2 23 B13R1.127 CS(=O)(=O)OCCC1COC(=O)N1 Amb25286644 [1,0,0,1,0,0|2,0,0]=4 24 B13R1.2908 CS(=O)(=O)C1CCCC1S(=O)(=O)Cl Amb25847249 [0,0,0,1,1,0|2,0,0]=4 25 B13R1.7713 CS(=O)(=O)OCC1CS(=O)(=O)CC1 Amb24495031 [0,0,0,1,1,0|0,0,0]=2 26 B13R1.7713 ClS(=O)(=O)CCC1CCS(=O)(=O)C1 Amb17063306 [0,0,0,1,1,0|2,0,0]=4 27 B13R1.7713 O=S1(=O)CCC(C1)CNS(=O)(=O)C Amb13850322 [0,0,0,1,1,0|1,0,0]=3 28 B13R1.7983 CS(=O)(=O)OC1CS(=O)(=O)CCC1 Amb24120385 [0,0,0,1,1,0|0,0,0]=2 29 B13R1.7983 NS(=O)(=O)NC1CS(=O)(=O)CCC1 Amb24491021 [0,0,0,1,1,0|2,0,0]=4 30 B15R1.16631 CS(=O)(=O)OC1CCCC1OS(C)(=O)=O Amb25041212 [0,0,0,1,0,1|0,0,0]=2 31 B15R1.16631 CS(=O)(=O)O[C@@H]1CCC[C@H]1OS(C)(=O)=O Amb24631105 [0,0,0,1,0,1|0,0,0]=2 32 B15R1.23266 CS(=O)(=O)C1CC(CCC1)OS(C)(=O)=O Amb20622797 [0,1,0,1,0,0|1,0,0]=3 33 B15R1.23266 CS(=O)(=O)N1CC(CCC1)OS(C)(=O)=O Amb22227657 [0,1,0,1,0,0|1,0,0]=3 34 B15R1.23266 CS(=O)(=O)NC1CCCN(C1)S(=O)(=O)C Amb11325204 [0,1,0,1,0,0|2,0,0]=4 35 B15R1.23269 CS(=O)(=O)N1CC(COS(C)(=O)=O)CC1 Amb24755091 [0,1,0,1,0,0|1,0,0]=3 36 B11R0.31 CC(=O)NCCCOS(C)(=O)=O Amb25054764 [1,0,0,0,1,0|2,0,0]=4 37 B11R0.31 CN(C)CCCCOS(C)(=O)=O Amb25381160 [1,0,0,0,1,0|2,0,0]=4 38 B11R0.199 CS(=O)(=O)CCCOS(C)(=O)=O Amb21964633 [0,0,0,0,2,0|0,0,0]=2 39 B11R0.199 CS(=O)(=O)OCCOS(C)(=O)=O Amb22832009 [0,0,0,0,2,0|0,0,0]=2 40 B11R0.199 CS(=O)(=O)SCCSS(=O)(=O)C Amb17613836 [0,0,0,0,2,0|0,2,0]=4 41 B11R0.199 ClS(=O)(=O)CCCCS(=O)(=O)Cl Amb10552423 [0,0,0,0,2,0|2,0,0]=4 42 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22233688 [0,0,0,0,2,0|2,0,0]=4 43 B11R0.199 OS(=O)(=O)CCCCS(O)(=O)=O Amb22432566 [0,0,0,0,2,0|2,0,0]=4 44 B11R0.199 [O-]S(=O)(=O)CCCCS([O-])(=O)=O Amb22002680 [0,0,0,0,2,0|2,0,0]=4 45 B11R0.199 [O-]S(=O)(=O)CCCSS(=O)(=O)C Amb17620123 [0,0,0,0,2,0|1,1,0]=4 46 B15R0.7561 CS(=O)(=O)OCCC#CCCOS(C)(=O)=O Amb25369541 [0,0,0,0,0,2|0,0,0]=2 47 B15R0.7561 CS(=O)(=O)SCCCCCCSS(=O)(=O)C Amb17614946 [0,0,0,0,0,2|0,2,0]=4