0 B6R0.5 CS(=O)(=O)CCN AC181731 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.5 NCCS(O)(=O)=O HY-B0351 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 CCCB(O)O AC500236 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCCC([O-])=O HY-B0350A [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CNCC(O)=O AC500168 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C[C@@H](O)CCO AC500114 [1,0,0,0,0,0|2,1,0]=4 6 B5R0.1 NCCC(N)=O AC510910 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NCCS(O)=O HY-100803 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 OC(=O)CC#C AC511130 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 OCC[N+]([O-])=O AC510890 [1,0,0,0,0,0|1,1,1]=4 10 B5R0.4 CCS(N)(=O)=O AC181603 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.4 CNS(=O)(=O)N LN01477704 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.4 COS(C)(=O)=O AC511052 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.4 CSS(C)(=O)=O AC280012 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.4 NOS(O)(=O)=O AC130279 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.8 NCCCS(O)(=O)=O HY-14602 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.9 CS(=O)(=O)CC(O)=O AC511075 [0,1,0,0,0,0|1,1,1]=4 17 B7R0.11 [Na]OS(=O)(=O)CCS HY-13679 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.14 O=S1(=O)CCCN1 AC130245 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.14 O=S1(=O)OCC=C1 AC182695 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.16 NC1CS(=O)(=O)C1 AC050691 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.26 ClS(=O)(=O)C1CC1 AC181266 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.26 NS(=O)(=O)C1CC1 AC182345 [0,0,0,1,0,0|2,0,0]=3 23 B4R0.1 CCB(O)O AC090161 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.2 OCCCBr AC500014 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.2 OCCCO AC510799 [2,0,0,0,0,0|1,1,0]=4 26 B4R0.3 CS(=O)(=S)[O-] LN01307937 [2,0,0,0,0,0|0,1,1]=4 27 B4R0.3 CS(C)(=N)=O AC051108 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.3 OS(O)(=O)=O AC500295 [2,0,0,0,0,0|0,1,0]=3 29 B6R0.1 COC(=O)CCBr AC511067 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.1 COC(=O)CCN AC510724 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.2 C[C@H](N)CC(O)=O AC130275 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 CCC(C)C(O)=O AC180050 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 CC[C@H](N)C(O)=O AC511519 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 NC[C@H](N)C(O)=O AC511517 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 N[C@H](CO)C(O)=O AC180073 [1,1,0,0,0,0|1,1,0]=4 38 B6R0.3 N[C@H](CS)C(O)=O AC180279 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.4 COCCC(O)=O AC100057 [1,1,0,0,0,0|1,1,0]=4 40 B6R0.4 CSCCC(O)=O HY-101401 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.4 OC(=O)CCC#C AC510868 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 OC(=O)CCC#N AC512077 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.4 OC(=O)CCC=C AC511045 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.4 OC(=O)CCCBr AC511629 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(C)S(N)(=O)=O AC511195 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.7 CN(C)S(=O)(=O)N LN00173709 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.21 CCCCOS(C)(=O)=O AC512087 [0,2,0,0,0,0|2,0,0]=4 48 B6R1.2 C1CSCC1=O LN00009539 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.11 OC(=O)C1CC1 AC500051 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AC010041 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AC010262 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.72 O=S1(=O)CCNCC1 AC500072 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.72 O=S1(=O)CCNCC1 AC511235 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.70 CC1(CC1)S(N)(=O)=O AC511955 [0,1,0,1,0,0|2,0,0]=4