smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 ZINC000013436199 220067200 /nfs/dbraw/zinc/06/72/00/220067200.db2.gz FWGBPNKASCASNV-CVEARBPZSA-N 1 1 374.489 -0.283 1 30 FBEFMO CC(C)C[C@H](NC(=O)[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NO ZINC000062146796 212029164 /nfs/dbraw/zinc/02/91/64/212029164.db2.gz WWWRDGWUZBSDDZ-XQQFMLRXSA-N 1 1 354.363 -0.008 1 30 FBEFMO C(=NNC1=NCCCN1)c1cn2cc(C=NNC3=[NH+]CCCN3)ccc2n1 ZINC000095544191 209078972 /nfs/dbraw/zinc/07/89/72/209078972.db2.gz TVAJPNYGKMYCRW-GIUJBALDSA-N 1 1 366.433 -0.120 1 30 FBEFMO