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+])NCCCC[C@H](O)CC(=O)N[C@H](O)C(=O)NCCCCNCCC[NH3+] ZINC000005518734 557659399 /nfs/dbraw/zinc/65/93/99/557659399.db2.gz GDVNLLJNADMLLR-XJKSGUPXSA-N 2 3 403.528 -2.340 40 0 HAABHP NCCC[NH2+]CCCCNC(=O)[C@@H](O)NC(=O)C[C@@H](O)CCCCNC(N)=[NH2+] ZINC000005518734 557659397 /nfs/dbraw/zinc/65/93/97/557659397.db2.gz GDVNLLJNADMLLR-XJKSGUPXSA-N 2 3 403.528 -2.340 40 0 HAABHP NC(=[NH2+])NCCCC[C@@H](O)CC(=O)N[C@H](O)C(=O)NCCCCNCCC[NH3+] ZINC000005518736 557659440 /nfs/dbraw/zinc/65/94/40/557659440.db2.gz GDVNLLJNADMLLR-CZUORRHYSA-N 2 3 403.528 -2.340 40 0 HAABHP NCCC[NH2+]CCCCNC(=O)[C@@H](O)NC(=O)C[C@H](O)CCCCNC(N)=[NH2+] ZINC000005518736 557659438 /nfs/dbraw/zinc/65/94/38/557659438.db2.gz GDVNLLJNADMLLR-CZUORRHYSA-N 2 3 403.528 -2.340 40 0 HAABHP COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+] ZINC001569989210 1072630110 /nfs/dbraw/zinc/63/01/10/1072630110.db2.gz KYPYVUHTYAIKJF-JYJNAYRXSA-N 3 3 416.567 -1.157 40 0 HAABHP COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+] ZINC001569989211 1072630157 /nfs/dbraw/zinc/63/01/57/1072630157.db2.gz KYPYVUHTYAIKJF-XHSDSOJGSA-N 3 3 416.567 -1.157 40 0 HAABHP