smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)C=CC(=O)N3CCC(c4nn[n-]n4)CC3)CC2)cc1 ZINC001471334286 1069418506 /nfs/dbraw/zinc/41/85/06/1069418506.db2.gz AZNBEXOBXQNDLD-SREVYHEPSA-N -1 1 425.493 0.819 20 10 ICCDMM COc1ccc(N2CCN(C(=O)C=CC(=O)N3CCC(c4nn[n-]n4)CC3)CC2)cc1 ZINC001471334289 1069418536 /nfs/dbraw/zinc/41/85/36/1069418536.db2.gz AZNBEXOBXQNDLD-VOTSOKGWSA-N -1 1 425.493 0.819 20 10 ICCDMM COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncc(C)cc3[O-])CC2)cc1 ZINC001583891760 1072076789 /nfs/dbraw/zinc/07/67/89/1072076789.db2.gz GDTGUFCDWRQWSP-UHFFFAOYSA-N -1 1 434.518 0.986 20 10 ICCDMM