smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(CCN(c4[nH+]c(C)ccc4CC#N)CC3)CC2)cc1 ZINC001164759192 721046259 /nfs/dbraw/zinc/04/62/59/721046259.db2.gz KJLADMVABGUFJE-UHFFFAOYSA-N 2 1 388.559 4.647 20 30 GJEDMP Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(CC#N)c(C)[nH+]4)CC3)CC2)cc1 ZINC001164759099 721045980 /nfs/dbraw/zinc/04/59/80/721045980.db2.gz GCIOUICHDMOPKV-UHFFFAOYSA-N 2 1 388.559 4.647 20 30 GJEDMP