smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cc(NC=C3C(=O)NC(=O)NC3=O)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O ZINC000408531798 570188279 /nfs/dbraw/zinc/18/82/79/570188279.db2.gz LRNXJCYXJFKCHP-UHFFFAOYSA-N 0 1 475.509 0.865 40 10 JCCBMN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 ZINC000409185831 570160615 /nfs/dbraw/zinc/16/06/15/570160615.db2.gz QYZARCKICPRFEA-UHFFFAOYSA-N 0 1 454.395 0.461 40 10 JCCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCC(N)=O ZINC000409225123 570175734 /nfs/dbraw/zinc/17/57/34/570175734.db2.gz PCUBJMKKXJPZRS-UHFFFAOYSA-N 0 1 459.196 0.303 40 10 JCCBMN