smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC(C[NH3+])CCc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026752275 207920805 /nfs/dbraw/zinc/92/08/05/207920805.db2.gz TVCGWPPDVTTWRW-UHFFFAOYSA-N 3 0 370.500 4.598 1 10 FJCFRP c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000053006579 136124681 /nfs/dbraw/zinc/12/46/81/136124681.db2.gz KGIGZIBMXZQUSF-UHFFFAOYSA-N 2 0 354.457 4.541 1 10 FJCFRP