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)CCCNc1nccc2c(C)c3nc4cc[nH]cc-4c3cc21 ZINC000001551834 204012834 /nfs/dbraw/zinc/01/28/34/204012834.db2.gz LPHSYQSMAGVYNT-UHFFFAOYSA-N 1 3 361.493 4.717 10 5 in-man FJBEHO CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc21 ZINC000001551834 204012838 /nfs/dbraw/zinc/01/28/38/204012838.db2.gz LPHSYQSMAGVYNT-UHFFFAOYSA-N 1 3 361.493 4.717 10 5 in-man FJBEHO