smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)Cn1cc(CCN2CCC([N@@H+](C)CCCO)CC2)nn1 ZINC000161030172 419062113 /nfs/dbraw/zinc/06/21/13/419062113.db2.gz KRCMQOLBWPRGSI-UHFFFAOYSA-N 2 1 339.440 -0.228 20 70 EBIDMP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000159645616 377311838 /nfs/dbraw/zinc/31/18/38/377311838.db2.gz QQADFKVOYIHJSX-UHFFFAOYSA-N 2 1 325.457 -0.066 20 70 EBIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000159645616 377311843 /nfs/dbraw/zinc/31/18/43/377311843.db2.gz QQADFKVOYIHJSX-UHFFFAOYSA-N 2 1 325.457 -0.066 20 70 EBIDMP