smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2 ZINC000001240188 132243197 /nfs/dbraw/zinc/24/31/97/132243197.db2.gz ANUFOJGBRTYYGA-XMHGGMMESA-N -1 1 409.555 4.185 10 10 HICEMM CCCc1nn2c(/C=C3\SC(=S)[N-]C3=O)c(-c3ccc(C)cc3)nc2s1 ZINC000041074266 521556940 /nfs/dbraw/zinc/55/69/40/521556940.db2.gz WYKYBELINDRGTD-LCYFTJDESA-N -1 1 400.554 4.208 10 10 HICEMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000041074161 527082717 /nfs/dbraw/zinc/08/27/17/527082717.db2.gz PZODLEBLDJIUCH-XMHGGMMESA-N -1 1 412.474 4.062 10 10 HICEMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000041074157 527082186 /nfs/dbraw/zinc/08/21/86/527082186.db2.gz CZIMKWZVUYKVST-CJLVFECKSA-N -1 1 406.445 4.001 10 10 HICEMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)c3cccc(c23)C1=O ZINC000008870447 571130274 /nfs/dbraw/zinc/13/02/74/571130274.db2.gz WSECUMMJSJEJAF-UHFFFAOYSA-N -1 1 418.474 4.480 10 10 HICEMM