smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000216897651 358967953 /nfs/dbraw/zinc/96/79/53/358967953.db2.gz MAQRNLZOAOGYOV-UHFFFAOYSA-N 2 2 264.373 1.121 40 70 CDIBLP c1csc(OC2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC000217432281 375644264 /nfs/dbraw/zinc/64/42/64/375644264.db2.gz YXFHZMDSHJHMAF-UHFFFAOYSA-N 2 2 267.398 1.738 40 70 CDIBLP