smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)c1ccc(C#Cc2cc3ccc(C(N)=[NH2+])cc3[nH]2)cn1 ZINC000071333235 190958964 /nfs/dbraw/zinc/95/89/64/190958964.db2.gz IYFMBMBWZJSGEA-UHFFFAOYSA-N 1 3 302.341 1.531 1 30 DDEFHO CC[C@H](C)[C@@H](C[NH2+]CCc1ccccc1)NC(=O)[C@@H](N)CS ZINC000013743635 181888360 /nfs/dbraw/zinc/88/83/60/181888360.db2.gz OXDLSKYSRLJJRJ-CWRNSKLLSA-N 1 3 323.506 1.607 1 30 DDEFHO C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCC[NH3+])[C@@H]2CC1 ZINC000096903408 185390595 /nfs/dbraw/zinc/39/05/95/185390595.db2.gz ADTWBDBDUZIHCD-LMGNHXBGSA-N 1 3 322.449 1.760 1 30 DDEFHO C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH2+]CCCN)[C@@H]2CC1 ZINC000096903408 185390596 /nfs/dbraw/zinc/39/05/96/185390596.db2.gz ADTWBDBDUZIHCD-LMGNHXBGSA-N 1 3 322.449 1.760 1 30 DDEFHO