smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2ccccc2[nH+]c1NC[C@@H]1C[C@@H]1C ZINC000159414602 384101600 /nfs/dbraw/zinc/10/16/00/384101600.db2.gz WZYKSPYTPDVXNX-GWCFXTLKSA-N 1 2 226.323 3.611 20 70 BHIDLO Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@@H]1C ZINC000159414739 384102805 /nfs/dbraw/zinc/10/28/05/384102805.db2.gz WZYKSPYTPDVXNX-GXFFZTMASA-N 1 2 226.323 3.611 20 70 BHIDLO Cc1cc2ccccc2[nH+]c1NC[C@@H]1C[C@H]1C ZINC000159414887 322967659 /nfs/dbraw/zinc/96/76/59/322967659.db2.gz WZYKSPYTPDVXNX-MFKMUULPSA-N 1 2 226.323 3.611 20 70 BHIDLO Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@H]1C ZINC000159415026 384105312 /nfs/dbraw/zinc/10/53/12/384105312.db2.gz WZYKSPYTPDVXNX-ZWNOBZJWSA-N 1 2 226.323 3.611 20 70 BHIDLO C[C@H](Nc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000159980852 345769400 /nfs/dbraw/zinc/76/94/00/345769400.db2.gz KOYXTKCEZGKNJV-NSHDSACASA-N 1 2 226.323 3.835 20 70 BHIDLO C[C@@H](Nc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000159980965 345769363 /nfs/dbraw/zinc/76/93/63/345769363.db2.gz KOYXTKCEZGKNJV-LLVKDONJSA-N 1 2 226.323 3.835 20 70 BHIDLO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CCC1 ZINC000159990024 134796658 /nfs/dbraw/zinc/79/66/58/134796658.db2.gz PGNJSQNZFOAPAL-QMMMGPOBSA-N 1 2 244.260 3.701 20 70 BHIDLO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CCC1 ZINC000159990147 345773153 /nfs/dbraw/zinc/77/31/53/345773153.db2.gz PGNJSQNZFOAPAL-MRVPVSSYSA-N 1 2 244.260 3.701 20 70 BHIDLO CCCC(CCC)SCCn1cc[nH+]c1 ZINC000160110779 323060891 /nfs/dbraw/zinc/06/08/91/323060891.db2.gz CHKDBJXDGYDUCV-UHFFFAOYSA-N 1 2 226.389 3.585 20 70 BHIDLO Cc1c[nH+]ccc1NC(=O)C1CCC(C)(C)CC1 ZINC000160122573 384387766 /nfs/dbraw/zinc/38/77/66/384387766.db2.gz FBYSQCVQJMMQDC-UHFFFAOYSA-N 1 2 246.354 3.545 20 70 BHIDLO c1ccc(N2CCC[C@@H]2C2CCCCC2)[nH+]c1 ZINC000217039567 345744365 /nfs/dbraw/zinc/74/43/65/345744365.db2.gz BRNFOFNXYZEUMY-CQSZACIVSA-N 1 2 230.355 3.631 20 70 BHIDLO c1ccc(N2CCC[C@H]2C2CCCCC2)[nH+]c1 ZINC000217039604 345744291 /nfs/dbraw/zinc/74/42/91/345744291.db2.gz BRNFOFNXYZEUMY-AWEZNQCLSA-N 1 2 230.355 3.631 20 70 BHIDLO