smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC/C=C\CCCCCCCC[NH2+]CCCN ZINC000095787834 185384051 /nfs/dbraw/zinc/38/40/51/185384051.db2.gz TUFJPPAQOXUHRI-KTKRTIGZSA-N 1 3 324.597 5.962 40 30 DKEBHO CCCCCCCCCCCC1=[NH+]CCN1CCNCCCC ZINC000104039537 563562104 /nfs/dbraw/zinc/56/21/04/563562104.db2.gz YKRYHVFENKVLCF-UHFFFAOYSA-N 1 3 323.569 5.011 40 30 DKEBHO CCCCCCCC/C=C/CCCCCCCC[NH2+]CCCN ZINC000104819021 563565056 /nfs/dbraw/zinc/56/50/56/563565056.db2.gz TUFJPPAQOXUHRI-MDZDMXLPSA-N 1 3 324.597 5.962 40 30 DKEBHO CCCCCCCCC[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000255187245 563927655 /nfs/dbraw/zinc/92/76/55/563927655.db2.gz CGXJWVZBHVWYGI-KRWDZBQOSA-N 1 3 310.570 5.414 40 30 DKEBHO CCCCCCCCC[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000255187246 563927747 /nfs/dbraw/zinc/92/77/47/563927747.db2.gz CGXJWVZBHVWYGI-QGZVFWFLSA-N 1 3 310.570 5.414 40 30 DKEBHO