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(-c2ccc(-c3ccccc3)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000015443908 559056511 /nfs/dbraw/zinc/05/65/11/559056511.db2.gz JKISDXZQELGTEZ-UHFFFAOYSA-N -1 0 416.695 5.855 30 0 HKACRM O=c1[n-]c(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(C(F)(F)F)cc1Cl ZINC000015443910 559056544 /nfs/dbraw/zinc/05/65/44/559056544.db2.gz BLXRIZWQCJZSEK-UHFFFAOYSA-N -1 0 408.594 5.207 30 0 HKACRM Cc1nc2ccccc2c(-c2ccc3c(c2)CCCO3)c1[C@@H](OC(C)(C)C)C(=O)[O-] ZINC000206388689 569388725 /nfs/dbraw/zinc/38/87/25/569388725.db2.gz ZFERZAMPQIXCPM-HSZRJFAPSA-N -1 0 405.494 5.476 30 0 HKACRM