smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21 ZINC000018847041 207098284 /nfs/dbraw/zinc/09/82/84/207098284.db2.gz GPKJTRJOBQGKQK-INIZCTEOSA-N 1 3 399.966 5.972 50 10 world GKCAHO CCCC[NH+](CCCC)Cc1cc(O)c(C[NH+](CCCC)CCCC)cc1[O-] ZINC000003899211 570353294 /nfs/dbraw/zinc/35/32/94/570353294.db2.gz NQWYXUYBLRJZPO-UHFFFAOYSA-N 1 3 392.628 5.902 50 10 GKCAHO CC[NH+](CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21 ZINC000018847040 221392591 /nfs/dbraw/zinc/39/25/91/221392591.db2.gz GPKJTRJOBQGKQK-MRXNPFEDSA-N 1 3 399.966 5.972 50 10 world GKCAHO