0 B6R0.5 CC(C)(O)CCBr H-8053 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 CC(C)(O)CCN M22892 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CCCS(N)(=O)=O O34092 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CS(=O)(=O)CCBr H-8028 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CS(=O)(=O)CCCl O31078 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 CS(=O)(=O)CCN P43261 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 O=P(Cl)(Cl)CCCl L21207 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.4 CNS(N)(=O)=O O32727 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.4 O=S(=O)([O-])CCl L19500 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.8 CCCCS(=O)(=O)O O30093 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.8 CNCCS(C)(=O)=O P39970 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.8 COCCS(=O)(=O)Cl P45530 [0,1,0,0,0,0|1,1,0]=3 14 B7R0.8 CS(=O)(=O)NCCN P35901 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.9 CS(=O)(=O)CC(=N)N L20954 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.14 O=S1(=O)CCC=N1 G-7785 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.14 O=S1(=O)NCCO1 G-7898 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.16 NC1CS(=O)(=O)C1 F-4830 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.16 NC1CS(=O)(=O)C1 O29822 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.16 O=C1CS(=O)(=O)C1 H-8152 [0,0,0,1,0,0|1,1,1]=4 21 B7R1.16 O=S1(=O)CC(Br)C1 Q59093 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.16 O=S1(=O)CC(O)C1 L22277 [0,0,0,1,0,0|1,1,0]=3 23 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.3 NS(=O)(=O)Cl P43209 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|1,1,0]=4 27 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|1,1,0]=4 30 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|1,1,0]=4 32 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,1,0,0,0,0|1,1,0]=4 41 B6R0.3 NCC(N)C(=O)O P37494 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 NCC(O)C(=O)O O28965 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.21 C#CCCOS(C)(=O)=O P36412 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.24 CCC(C)OS(C)(=O)=O L13589 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.27 CC(C)C(O)S(=O)(=O)[O-] L19971 [0,2,0,0,0,0|1,0,1]=4 53 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,1,0,1,0,0|1,0,0]=3 56 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.51 O=C1CCS(=O)(=O)C1 P40591 [0,1,0,1,0,0|1,1,0]=4 58 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,1,0,1,0,0|1,1,0]=4 59 B8R1.53 C#CC1CS(=O)(=O)C1 Q62778 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.53 CNC1CS(=O)(=O)C1 Q54764 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.53 NCC1CS(=O)(=O)C1 Q62797 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.53 O=S1(=O)CC(CO)C1 Q62790 [0,1,0,1,0,0|1,1,0]=4 63 B8R1.55 CS(=O)(=O)C1CNC1 C-2456 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.55 CS(=O)(=O)C1CNC1 P44368 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.55 NS(=O)(=O)C1CCC1 P45607 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.55 NS(=O)(=O)C1COC1 Q57233 [0,1,0,1,0,0|1,1,0]=4 67 B8R1.55 NS(=O)(=O)N1CCC1 O32571 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.55 O=S(=O)(Cl)C1CCC1 P45740 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.55 O=S(=O)(Cl)C1COC1 Q57235 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.55 O=S(=O)(F)C1COC1 Q58428 [0,1,0,1,0,0|1,1,0]=4 71 B8R1.56 NS(=O)(=O)CC1CC1 H-8361 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.56 O=S(=O)(Cl)CC1CC1 O29344 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.73 CC1(N)CS(=O)(=O)C1 L22501 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.48 NCC1CCS1(=O)=O Q58812 [0,1,0,1,0,0|2,0,0]=4