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+](C)CCNC(=O)c1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3[nH+]c12 ZINC000031829827 563108534 /nfs/dbraw/zinc/10/85/34/563108534.db2.gz NYGXRFGYCRYUOJ-UHFFFAOYSA-N 2 1 463.563 3.070 1 10 JGCFMP COc1ccc(S(=O)(=O)NCc2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)cc1 ZINC000034315595 563113179 /nfs/dbraw/zinc/11/31/79/563113179.db2.gz SYZGIWXQGIBJGN-UHFFFAOYSA-N 2 1 459.612 3.071 1 10 investigational JGCFMP