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highlights:
#sketchBINOL
c2k
CP3: NMR data
DP4: NMR data
force field
evaluation
InChIKey collision
RInChI project
solubility challenge
index of canonical SMILES
CC(C)CC(N)C(=O)O
CCC(C)C(N)C(=O)O
CC(C)C(N)C(=O)O
CC(N)C(=O)O
CC(O)C(N)C(=O)O
CSCCC(N)C(=O)O
NC(Cc1cc2ccccc2[nH]1)C(=O)O
NC(Cc1ccccc1)C(=O)O
NC(Cc1ccc(O)cc1)C(=O)O
NC(Cc1cnc[nH]1)C(=O)O
NCCCCC(N)C(=O)O
NC(CCCNC(=N)N)C(=O)O
NC(CCC(=O)N)C(=O)O
NC(CCC(=O)O)C(=O)O
NC(CC(=O)N)C(=O)O
NC(CC(=O)O)C(=O)O
NC(CO)C(=O)O
NCC(=O)O
NC(CS)C(=O)O
OC(=O)C1CCCN1
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; last updated December 17, 2024