smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013991181 557400122 /nfs/dbraw/zinc/40/01/22/557400122.db2.gz FAZJMSJIDMWVRD-UHFFFAOYSA-N 2 2 432.572 3.232 40 10 IGCBLP CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013991181 557400126 /nfs/dbraw/zinc/40/01/26/557400126.db2.gz FAZJMSJIDMWVRD-UHFFFAOYSA-N 2 2 432.572 3.232 40 10 IGCBLP