0 B3R0.2 CC(=O)[O-] AC2626 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)[O-] D70195 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)[O-] I11566 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(Br)Br D78418 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.2 C[13C](=O)O 41422 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 C[S+](C)C AC2631 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 O=C([O-])[O-] AC2639 [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 O=C([O-])[O-] AC7869 [0,0,0,0,0,0|1,0,1]=2 8 B3R0.2 O=C([O-])[O-] F20746 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.2 [13CH3]C(=O)O 41421 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 [15NH2]C([15NH2])=O 41394 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 [15NH2][13C]([15NH2])=O 41395 [0,0,0,0,0,0|3,0,0]=3 12 B2R0.1 CNC T70981 [1,0,0,0,0,0|2,0,1]=4 13 B2R0.1 CNN C10129 [1,0,0,0,0,0|2,0,1]=4 14 B2R0.1 CSC D78287 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 FCI AT16478 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 N#C[S-] F21288 [1,0,0,0,0,0|2,1,0]=4 17 B4R0.1 C[C@H](Br)CO W17591 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 N=C(N)CO 20678 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 NCC(=O)O A10882 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 NCC(=O)O T72551 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 NNC(N)=O D77852 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 O=C([O-])C[O-] 47204 [0,1,0,0,0,0|1,0,1]=3 23 B4R0.3 CP(C)(C)=O F20530 [0,1,0,0,0,0|2,1,0]=4 24 B4R0.3 CS(=O)(=O)[O-] D91356 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.3 CS(C)(=N)=O W15490 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.3 C[N+](C)(C)[O-] A11929 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.3 C[Si](C)(C)O 29085 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.3 O=S(=O)([O-])[O-] AC2541 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.3 O=S(=O)([O-])[O-] AC2638 [0,1,0,0,0,0|1,0,1]=3 30 B1R0.1 C=C D89533 [2,0,0,0,0,0|2,0,0]=4 31 B1R0.1 C=C F16606 [2,0,0,0,0,0|2,0,0]=4 32 B1R0.1 [C-]#[O+] T71827 [2,0,0,0,0,0|1,0,1]=4 33 B1R0.1 [CH]=C D78465 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 CCON C13232 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 CNCC(=O)[O-] F20742 [0,2,0,0,0,0|2,0,0]=4 36 B5R0.1 N#CCC(=O)[O-] D70707 [0,2,0,0,0,0|2,0,0]=4 37 B5R0.1 O=C(O)\C=C\Br AC1121 [0,2,0,0,0,0|2,0,0]=4 38 B5R0.1 O=C(O)\C=C\I W15430 [0,2,0,0,0,0|2,0,0]=4 39 B5R0.4 C=CS(=O)(=O)O T71619 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.4 COS(=O)(=O)Cl I11450 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.4 CO[P@@](C)(=O)Cl D95174 [0,2,0,0,0,0|1,1,0]=4 42 B5R0.4 O=S(=O)(O)O[O-] D78337 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.5 O=C([O-])C(=O)[O-] AC1285 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.5 O=[S@]([O-])C(F)F D93610 [0,2,0,0,0,0|2,0,0]=4