smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005852963 181290094 /nfs/dbraw/zinc/29/00/94/181290094.db2.gz SECPYEHGAVGHPI-UHFFFAOYSA-N 2 0 321.468 4.970 1 10 DJCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCC[NH+]1CCCCC1 ZINC000013472658 181853482 /nfs/dbraw/zinc/85/34/82/181853482.db2.gz NXTOUTQSWQTEPN-UHFFFAOYSA-N 2 0 319.452 4.676 1 10 DJCFRP [NH3+]CCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026845013 182454834 /nfs/dbraw/zinc/45/48/34/182454834.db2.gz NOYBATCSJVAFRM-UHFFFAOYSA-N 2 0 313.404 4.633 1 10 DJCFRP