smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C1CC[NH+](Cc2cc(CN3CCCC3)cs2)CC1)[NH+](C)C ZINC000077437127 563969641 /nfs/dbraw/zinc/96/96/41/563969641.db2.gz KAXOTIWINUVFIC-INIZCTEOSA-N 2 3 335.561 3.506 50 0 EHAAHP C[C@H](C1CC[NH+](Cc2cc(CN3CCCC3)cs2)CC1)[NH+](C)C ZINC000077437129 563969617 /nfs/dbraw/zinc/96/96/17/563969617.db2.gz KAXOTIWINUVFIC-MRXNPFEDSA-N 2 3 335.561 3.506 50 0 EHAAHP