smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[NH+]2CCC([N@@H+]3CCCN(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000072347939 211095174 /nfs/dbraw/zinc/09/51/74/211095174.db2.gz SJLLEAYZSPTSEU-UHFFFAOYSA-N 2 2 393.531 3.592 40 10 GHCBLP c1ccc(C[NH+]2CCC([N@H+]3CCCN(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000072347939 211095179 /nfs/dbraw/zinc/09/51/79/211095179.db2.gz SJLLEAYZSPTSEU-UHFFFAOYSA-N 2 2 393.531 3.592 40 10 GHCBLP CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)cc1 ZINC000012146978 570617279 /nfs/dbraw/zinc/61/72/79/570617279.db2.gz MVFZCHWTZXXQRV-UHFFFAOYSA-N 2 2 388.519 3.918 40 10 GHCBLP CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)cc1 ZINC000012146978 570617281 /nfs/dbraw/zinc/61/72/81/570617281.db2.gz MVFZCHWTZXXQRV-UHFFFAOYSA-N 2 2 388.519 3.918 40 10 GHCBLP CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)cc1 ZINC000036740213 570568682 /nfs/dbraw/zinc/56/86/82/570568682.db2.gz QUFZXXSYOAMLFV-UHFFFAOYSA-N 2 2 390.531 3.977 40 10 GHCBLP CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)CCO3)cc1 ZINC000036740213 570568685 /nfs/dbraw/zinc/56/86/85/570568685.db2.gz QUFZXXSYOAMLFV-UHFFFAOYSA-N 2 2 390.531 3.977 40 10 GHCBLP C[NH+]1CCN(Cc2cc(C[NH2+]C3(c4ccccc4F)CCCC3)ccc2O)CC1 ZINC000019590063 570264047 /nfs/dbraw/zinc/26/40/47/570264047.db2.gz RMYLFPZPIDTXQK-UHFFFAOYSA-N 2 2 397.538 3.838 40 10 GHCBLP