smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]C[C@@H](C)O)cc1C[NH+]1CCOCC1 ZINC000035287286 172104989 /nfs/dbraw/zinc/10/49/89/172104989.db2.gz WZACYAPWNJTUHK-CYBMUJFWSA-N 2 2 294.395 0.998 50 10 CCCALP Cc1[nH+]c[nH]c1CSCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC000072433682 388963312 /nfs/dbraw/zinc/96/33/12/388963312.db2.gz KIOVYXVBRMNHGT-ZDUSSCGKSA-N 3 2 284.429 0.655 50 10 CCCALP COc1ccc(C[NH2+]C[C@H](C)O)cc1C[NH+]1CCOCC1 ZINC000035287285 172105429 /nfs/dbraw/zinc/10/54/29/172105429.db2.gz WZACYAPWNJTUHK-ZDUSSCGKSA-N 2 2 294.395 0.998 50 10 CCCALP Cc1[nH+]c[nH]c1CSCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC000072433683 388963853 /nfs/dbraw/zinc/96/38/53/388963853.db2.gz KIOVYXVBRMNHGT-CYBMUJFWSA-N 3 2 284.429 0.655 50 10 CCCALP