smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc(C(N)=O)s3)cc2)CC1 ZINC000019228720 207108814 /nfs/dbraw/zinc/10/88/14/207108814.db2.gz GGXATKZRYDYOSQ-SFHVURJKSA-N 2 1 384.549 2.936 50 10 GFCAMP CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000004676955 570823705 /nfs/dbraw/zinc/82/37/05/570823705.db2.gz SPEQATPJICEGEO-UHFFFAOYSA-N 2 1 386.584 2.909 50 10 GFCAMP O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004679594 570825925 /nfs/dbraw/zinc/82/59/25/570825925.db2.gz UBLSTMJEOPPESL-UHFFFAOYSA-N 2 1 393.531 2.949 50 10 GFCAMP COc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)CC2)cc1 ZINC000067909386 205267605 /nfs/dbraw/zinc/26/76/05/205267605.db2.gz SQMHNRFAONNMTG-DHIUTWEWSA-N 2 1 387.568 2.975 50 10 GFCAMP COc1ccc(N2CCC([N@H+]3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)CC2)cc1 ZINC000067909386 205267609 /nfs/dbraw/zinc/26/76/09/205267609.db2.gz SQMHNRFAONNMTG-DHIUTWEWSA-N 2 1 387.568 2.975 50 10 GFCAMP C[NH+]1CCN(c2ccc(CN3C[C@H]([NH3+])[C@@H](c4ccc(F)cc4)C3)cc2F)CC1 ZINC000221878522 206258456 /nfs/dbraw/zinc/25/84/56/206258456.db2.gz WRTTYIGJNLLQHI-CTNGQTDRSA-N 2 1 386.490 2.643 50 10 GFCAMP C[NH+]1CCN(c2ccc(CN3C[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)cc2F)CC1 ZINC000097096744 136188049 /nfs/dbraw/zinc/18/80/49/136188049.db2.gz WRTTYIGJNLLQHI-PZJWPPBQSA-N 2 1 386.490 2.643 50 10 GFCAMP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@@H](c4ccc(F)cc4)C3)cc2F)CC1 ZINC000097096743 136188030 /nfs/dbraw/zinc/18/80/30/136188030.db2.gz WRTTYIGJNLLQHI-TZIWHRDSSA-N 2 1 386.490 2.643 50 10 GFCAMP