smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N1CCOCCOCCN(C(=O)C[NH3+])CCOCCOCC1 ZINC000004936615 204093854 /nfs/dbraw/zinc/09/38/54/204093854.db2.gz JITVAMRWDROXRZ-UHFFFAOYSA-N 1 3 376.454 -2.359 50 0 GAAAHO OCCN1CCOCCOCCOCC[N@@H+](CCO)CCOCCOCC1 ZINC000004955672 570381830 /nfs/dbraw/zinc/38/18/30/570381830.db2.gz CGSNOSZWDYWUAQ-UHFFFAOYSA-N 1 3 394.509 -1.328 50 0 GAAAHO OCCN1CCOCCOCCOCC[N@H+](CCO)CCOCCOCC1 ZINC000004955672 570381828 /nfs/dbraw/zinc/38/18/28/570381828.db2.gz CGSNOSZWDYWUAQ-UHFFFAOYSA-N 1 3 394.509 -1.328 50 0 GAAAHO