0 B5R0.4 CCS(=O)(=O)[S-] S47822 [0,0,0,0,0,0|1,1,0]=2 1 B5R0.4 CNP(=S)(O)O PH013342 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.4 CNS(=O)(=O)Cl CDS007250 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.4 O=S(=O)([O-])CBr S613940 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CCB(O)O CDS003542 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CNC(=O)Cl CDS009330 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CSC(=O)C CDS001513 [1,0,0,0,0,0|2,1,0]=4 8 B4R0.1 O=C(O)CS CDS000504 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 O=S(O)O[TlH2] S826111 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.3 C[SH+](C)(C)O S311383 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.3 NS(=O)(=O)[O-] S828300 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.3 O=S(=O)(O)O R278998 [1,0,0,0,0,0|0,0,0]=1 13 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.3 O=S(=O)([O-])[O-] S461083 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.3 O=S(=O)([O-])[O-] S461768 [1,0,0,0,0,0|0,0,2]=3 16 B4R0.3 O=[Cr](=O)([O-])[O-] CDS001277 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.5 C=CCS(=O)(=O)Cl CDS002116 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.5 C=CCS(=O)(=O)O PH008546 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.5 C=CCS(=O)(=O)[O-] CDS010541 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.5 CCCS(=O)(=O)[S-] S47857 [0,1,0,0,0,0|1,1,0]=3 21 B6R0.5 CCNS(=O)(=O)Cl CDS007313 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.5 CCNS(=O)(=O)[O-] R464244 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.5 O=S(=O)(Cl)CCBr PH016099 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.5 O=S(=O)([O-])CCO CDS003508 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.7 CC(N)P(=O)(O)O R425923 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.7 CN(C)S(=O)(=O)C S616672 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.8 COP(=O)(O)OC CDS014665 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.8 COP(=S)([S-])OC S234788 [0,1,0,0,0,0|1,2,0]=4 30 B6R1.10 O=S1(=O)CCC1 S620734 [0,0,0,1,0,0|2,0,0]=3 31 B3R0.2 BC(=O)O R277436 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 CC(=O)O R252506 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.2 CC(=O)O R252999 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 CS(=O)[O-] S946621 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.1 COCC(=O)N S371874 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.1 CONC(=O)N S802999 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.3 CCC(=O)CO R277614 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.8 CNCCS(=O)(=O)C CDS005459 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.8 COCCS(=O)(=O)Cl CDS008347 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.8 CS(=O)(=O)CCCN T160539 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.8 O=S(=O)([O-])CCCCl S986429 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.8 O=S(=O)([O-])CCCCl T109665 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.8 O=S(=O)([O-])CCCI S568341 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.9 C/C(=C\S(=O)(=O)C)/I S779059 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.9 CC(C)CS(=O)(=O)[S-] S64026 [0,2,0,0,0,0|1,1,0]=4 46 B7R0.9 CC(C)NS(=O)(=O)C PH007925 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.9 CC(C)NS(=O)(=O)Cl CDS007305 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.9 CC(C)NS(=O)(=O)O PH009579 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.9 CN(C)NS(=O)(=O)C PH009301 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.9 O=C(O)CS(=O)(=O)O S576611 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.11 CCS(=O)(=O)CCN CBR00923 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.11 CCS(=O)(=O)CCO PH010969 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.14 CCC(C)S(=O)(=O)Cl CDS003418 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.13 CCS(=O)(=O)C(C)Cl T163783 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.13 CN(C)S(=O)(=O)CCl T163198 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.17 CC(C)(C)S(=O)(=O)N ANV00035 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.17 CC(C)(C)S(=O)(=O)N CDS004463 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.17 CC(C)(O)S(=O)(=O)[O-] S429317 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.17 O=S(=O)(O)C(F)(F)F S694622 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.18 CCP(=O)(OC)OC S658944 [0,2,0,0,0,0|2,0,0]=4 62 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.16 O=S1(=O)CC(C1)Cl SYX00116 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.17 CC1=CCS1(=O)=O T169978 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.17 CC1C=CS1(=O)=O T173029 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.17 CC1CCS1(=O)=O T172936 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.17 [C@@H]1(CCS1(=O)=O)C T176281 [0,1,0,1,0,0|2,0,0]=4