smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])Nc1nc(CSCCC(N)=NS(N)(=O)=O)no1 ZINC000029481184 182567046 /nfs/dbraw/zinc/56/70/46/182567046.db2.gz DLKKDDLLJBCZIB-UHFFFAOYSA-N 1 2 322.376 -1.441 1 30 DAEFLO C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(F)c2c1nc[nH+]c2N ZINC000066259781 184399298 /nfs/dbraw/zinc/39/92/98/184399298.db2.gz KDASUOPBZASFSM-NHULRPGXSA-N 1 2 308.269 -1.233 1 30 DAEFLO