Table 2

- Structure and Simplified Molecular-Input Line-Entry System (SMILE) ID of compounds that successfully passes the pan assay interference compounds filter.

LigandPAINS FilterStructureSMILE ID
ChemBridge14695864PassedEmbedded Imagec1(cccc(c1)NC1=C(C(CC(C1)(C)C)NC(=O)c1n[nH]c(=O)cc1)CN)F
ChemBridge16586858PassedEmbedded Imagec1ccc(cc1)CCCC1NC2C(O1)CC=C(C2)C(=O)NCCN1CCCC(C1)O
ChemBridge16610636PassedEmbedded ImageC1C(CC(=CC1)CNC(=O)CC1CCN(CC1)CC1C(C(=CCC1)[O-])O)C(P)(I)P
ZINC06893293PassedEmbedded ImageO=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)N1CCc2ccccc2C1