smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]c(C)c1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc43)cc2)CC1 ZINC000217759517 562877691 /nfs/dbraw/zinc/87/76/91/562877691.db2.gz VEUIINWORDJVSC-UHFFFAOYSA-N 0 2 520.615 2.980 1 70 KFIFLN O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(C2CCC(O)CC2)CC1 ZINC000217800650 562877788 /nfs/dbraw/zinc/87/77/88/562877788.db2.gz HQPSZLVMTBFBPN-UHFFFAOYSA-N 0 2 510.616 2.949 1 70 KFIFLN