smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@H](c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000032023165 557300227 /nfs/dbraw/zinc/30/02/27/557300227.db2.gz YNGQUUFYBFKLNH-ZEHVDLJYSA-N 1 0 445.434 6.185 30 0 IKACRO O[C@@H](c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000032023177 563084027 /nfs/dbraw/zinc/08/40/27/563084027.db2.gz YNGQUUFYBFKLNH-BGSPBPIMSA-N 1 0 445.434 6.185 30 0 IKACRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(Cl)cc6)nc5c4)nc3c2)CC1 ZINC000205898505 569583155 /nfs/dbraw/zinc/58/31/55/569583155.db2.gz QXGLWDFFMBHOFL-UHFFFAOYSA-N 1 0 442.954 5.178 30 0 IKACRO O[C@@H](c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000032023169 557300212 /nfs/dbraw/zinc/30/02/12/557300212.db2.gz YNGQUUFYBFKLNH-AZPABKSGSA-N 1 0 445.434 6.185 30 0 IKACRO O[C@H](c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000032023173 557300235 /nfs/dbraw/zinc/30/02/35/557300235.db2.gz YNGQUUFYBFKLNH-CVSKKUJJSA-N 1 0 445.434 6.185 30 0 IKACRO