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+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000217634155 496999200 /nfs/dbraw/zinc/99/92/00/496999200.db2.gz PYUXCXHLTDRNEB-NGRWLJPCSA-N 2 1 351.494 3.433 50 70 FGIAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000217634155 496999203 /nfs/dbraw/zinc/99/92/03/496999203.db2.gz PYUXCXHLTDRNEB-NGRWLJPCSA-N 2 1 351.494 3.433 50 70 FGIAMP CCC1(CO)CC[NH+](Cc2cc(C)cc(C[NH+]3CCN(C)CC3)c2C)CC1 ZINC000217412587 496997850 /nfs/dbraw/zinc/99/78/50/496997850.db2.gz ANIQIWLTRKUSIC-UHFFFAOYSA-N 2 1 373.585 3.035 50 70 FGIAMP CN(Cc1cc2n(n1)CCC[N@@H+](C[C@@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000216647144 568133168 /nfs/dbraw/zinc/13/31/68/568133168.db2.gz ITLZXHMBYZRKNW-LJQANCHMSA-N 2 1 365.525 3.472 50 70 FGIAMP Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000218216628 497001049 /nfs/dbraw/zinc/00/10/49/497001049.db2.gz WBLVYAQWFFNCOM-NRFANRHFSA-N 2 1 353.510 3.318 50 70 FGIAMP Cc1ccccc1[C@H](C(=O)N(C)Cc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000218216695 497000757 /nfs/dbraw/zinc/00/07/57/497000757.db2.gz WBLVYAQWFFNCOM-OAQYLSRUSA-N 2 1 353.510 3.318 50 70 FGIAMP