smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003830352 562929510 /nfs/dbraw/zinc/92/95/10/562929510.db2.gz KORNTPPJEAJQIU-NWSQWKLXSA-N 1 3 451.615 3.194 10 30 JGEEHO C=CCN1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003830350 562929457 /nfs/dbraw/zinc/92/94/57/562929457.db2.gz KORNTPPJEAJQIU-LSWJPFSZSA-N 1 3 451.615 3.194 10 30 in-vitro JGEEHO