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)CCCc1cn(CCCN(C)C)c2c1C(=O)c1ccncc1C2=O ZINC000071416596 221347745 /nfs/dbraw/zinc/34/77/45/221347745.db2.gz RIHCXPYNEQMJFD-UHFFFAOYSA-N 0 3 368.481 2.104 1 10 FECFHN COc1ccc2c(c1)C1=NCCN(CCO)c3ccc([N+](=O)[O-])c(c31)N2 ZINC000005733919 204223656 /nfs/dbraw/zinc/22/36/56/204223656.db2.gz RKLOTADXXZJKEJ-UHFFFAOYSA-N 0 3 354.366 2.310 1 10 FECFHN COc1cc([C@H](O)[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000169315668 206250657 /nfs/dbraw/zinc/25/06/57/206250657.db2.gz MRHXJYSWOHVYII-MSOLQXFVSA-N 0 3 361.394 2.044 1 10 FECFHN