smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000014138144 482653002 /nfs/dbraw/zinc/65/30/02/482653002.db2.gz SKSMJMKAFNEYAB-UHFFFAOYSA-N 1 2 362.434 -1.054 50 30 FAEALO C=CCNC(=S)N1CC[NH+](CCNC=C2C(=O)NC(=O)NC2=O)CC1 ZINC000085434211 518949553 /nfs/dbraw/zinc/94/95/53/518949553.db2.gz ULPOTHAJNSMTCV-UHFFFAOYSA-N 1 2 366.447 -1.496 50 30 FAEALO