smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCC([N@H+]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC000067804784 472091678 /nfs/dbraw/zinc/09/16/78/472091678.db2.gz HYKAHNYREIEPNN-UHFFFAOYSA-N 2 1 329.488 2.740 50 10 EFCAMP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]21 ZINC001506420303 1405761455 /nfs/dbraw/zinc/76/14/55/1405761455.db2.gz BLJUAUZVYMNVSW-DKUWSORSSA-N 2 1 339.527 2.884 50 10 EFCAMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000067786975 472089895 /nfs/dbraw/zinc/08/98/95/472089895.db2.gz MOIITGCCUYUMMM-INIZCTEOSA-N 2 1 345.487 2.706 50 10 EFCAMP CN1CC[N@@H+](C)CC12CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC000067542030 472046659 /nfs/dbraw/zinc/04/66/59/472046659.db2.gz ORRYERRPPUXQRP-UHFFFAOYSA-N 2 1 345.531 2.902 50 10 EFCAMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000067786972 472089530 /nfs/dbraw/zinc/08/95/30/472089530.db2.gz MOIITGCCUYUMMM-MRXNPFEDSA-N 2 1 345.487 2.706 50 10 EFCAMP COc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1O ZINC000065492416 472955729 /nfs/dbraw/zinc/95/57/29/472955729.db2.gz PXNGRZPORBWXKR-UHFFFAOYSA-N 2 1 327.428 2.817 50 10 EFCAMP