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(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000217029899 570311960 /nfs/dbraw/zinc/31/19/60/570311960.db2.gz GHWUEXQSXPXQBE-UHFFFAOYSA-N 2 0 377.960 3.400 40 70 GGIBRP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000217029833 205935117 /nfs/dbraw/zinc/93/51/17/205935117.db2.gz ULBNTUUMISVDJT-UHFFFAOYSA-N 2 0 377.960 3.400 40 70 GGIBRP C[NH+]1CCC(CCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000217029778 570311903 /nfs/dbraw/zinc/31/19/03/570311903.db2.gz ZCHXDAAZBZHHMD-UHFFFAOYSA-N 2 0 377.960 3.400 40 70 GGIBRP