smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000020999090 524071106 /nfs/dbraw/zinc/07/11/06/524071106.db2.gz XNVVUOBEBNQOFR-JOCHJYFZSA-N 1 3 428.577 1.800 10 0 IDAEHO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCCNCCO)cc3)cc2n(C)c1=O ZINC000013733197 556296747 /nfs/dbraw/zinc/29/67/47/556296747.db2.gz KJQXGRPIZCSAKF-QFIPXVFZSA-N 1 3 428.533 1.051 10 0 IDAEHO COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)CN1CCCN(C)CC1 ZINC000020999089 524071237 /nfs/dbraw/zinc/07/12/37/524071237.db2.gz XNVVUOBEBNQOFR-QFIPXVFZSA-N 1 3 428.577 1.800 10 0 IDAEHO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCCNCCO)cc3)cc2n(C)c1=O ZINC000013733200 556296851 /nfs/dbraw/zinc/29/68/51/556296851.db2.gz KJQXGRPIZCSAKF-JOCHJYFZSA-N 1 3 428.533 1.051 10 0 IDAEHO O=C(CC[C@H]1CN(Cc2ccncc2)CC[C@H]1N1CCOCC1)NCC[NH+]1CCCCC1 ZINC000012190441 526574452 /nfs/dbraw/zinc/57/44/52/526574452.db2.gz KLMZFDOMNOCYFT-BJKOFHAPSA-N 1 3 443.636 1.987 10 0 IDAEHO