smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)cc1 ZINC000040424317 183064935 /nfs/dbraw/zinc/06/49/35/183064935.db2.gz MARVQUPYNMUVAM-SFQUDFHCSA-N 0 1 321.380 3.686 1 10 DHCFMN CCCN1CCc2cc(F)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000014953323 560227774 /nfs/dbraw/zinc/22/77/74/560227774.db2.gz TVIUJNLDORXPPC-HNNXBMFYSA-N 0 1 313.372 3.769 1 10 in-vitro DHCFMN COc1cccc2c1nc1ccccc1c2NC[C@@H]1CCCO1 ZINC000045260737 183492242 /nfs/dbraw/zinc/49/22/42/183492242.db2.gz XEKUGLCGONWFBJ-ZDUSSCGKSA-N 0 1 308.381 3.988 1 10 DHCFMN