smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000255997924 572304826 /nfs/dbraw/zinc/30/48/26/572304826.db2.gz QUDAEJXIMBXKMG-GCOBIYGJSA-N 2 1 770.894 -6.307 40 30 KAEBMP C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000255997925 572304765 /nfs/dbraw/zinc/30/47/65/572304765.db2.gz QUDAEJXIMBXKMG-GFJXEVPCSA-N 2 1 770.894 -6.307 40 30 KAEBMP C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](CO)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000255997926 572304833 /nfs/dbraw/zinc/30/48/33/572304833.db2.gz QUDAEJXIMBXKMG-LUDAKILFSA-N 2 1 770.894 -6.307 40 30 KAEBMP C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000255997927 572304801 /nfs/dbraw/zinc/30/48/01/572304801.db2.gz QUDAEJXIMBXKMG-WVYKEMLSSA-N 2 1 770.894 -6.307 40 30 KAEBMP