smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)s1 ZINC000159887320 332721436 /nfs/dbraw/zinc/72/14/36/332721436.db2.gz NFLSAIHWDJXXNR-NWDGAFQWSA-N 0 1 314.454 5.172 20 70 DKIDMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cc3ccccc3o2)s1 ZINC000159887458 332721389 /nfs/dbraw/zinc/72/13/89/332721389.db2.gz NFLSAIHWDJXXNR-RYUDHWBXSA-N 0 1 314.454 5.172 20 70 DKIDMN C[C@H](NCc1cc(F)cc(Cl)c1)c1cc2ccccc2o1 ZINC000160865140 338568286 /nfs/dbraw/zinc/56/82/86/338568286.db2.gz NJHRYYDOTCVLKC-NSHDSACASA-N 0 1 303.764 5.076 20 70 DKIDMN CCc1ccc(CNC(c2cccs2)c2cccs2)cc1 ZINC000217816901 337990884 /nfs/dbraw/zinc/99/08/84/337990884.db2.gz VSGUNPFQKKGXTR-UHFFFAOYSA-N 0 1 313.491 5.251 20 70 DKIDMN