smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2c(NCCC[NH+]3CCOCC3)c(F)c(NCCC[NH+]3CCOCC3)c(F)c2sc2nc3cc(Cl)c(Cl)cc3n21 ZINC000098006395 554062050 /nfs/dbraw/zinc/06/20/50/554062050.db2.gz PFSXAEHKBWUZDG-UHFFFAOYSA-N 2 2 641.572 4.916 50 5 KJBALP CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)NCCOCCOCC[NH3+])c2cc1C ZINC000101149161 554656737 /nfs/dbraw/zinc/65/67/37/554656737.db2.gz WHQYBFIUOTWZOW-NUDFZHEQSA-N 2 2 544.696 4.896 50 5 KJBALP