smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCC/[NH+]=c1\ccn(Cc2ccccc2Cl)c2cc(Cl)ccc21 ZINC000013741404 717109369 /nfs/dbraw/zinc/10/93/69/717109369.db2.gz GYLQHGPPUSVVST-NJNXFGOHSA-N 2 0 403.377 4.993 1 5 HJBFRP CC[N+](C)(CC)CC[n+]1c2cc(N)ccc2c2ccc(N)cc2c1-c1ccccc1 ZINC000029214101 717116307 /nfs/dbraw/zinc/11/63/07/717116307.db2.gz VJARIUGXGQNXSL-UHFFFAOYSA-O 2 0 400.570 4.598 1 5 HJBFRP CCCC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028824996 717116288 /nfs/dbraw/zinc/11/62/88/717116288.db2.gz DQBNCYJSRVIUNK-UHFFFAOYSA-N 2 0 406.655 4.520 1 5 HJBFRP