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(=N/NC(=O)C[N+](C)(C)C)c1sc(-c2cccnc2)nc1C ZINC000017211497 717112518 /nfs/dbraw/zinc/11/25/18/717112518.db2.gz YPGLNFFYTIHCTP-UNOMPAQXSA-O 1 0 332.453 2.060 40 50 EEGBRO C/C(=N\NC(=O)C[N+](C)(C)C)c1sc(-c2cccnc2)nc1C ZINC000005809949 717101982 /nfs/dbraw/zinc/10/19/82/717101982.db2.gz YPGLNFFYTIHCTP-XDHOZWIPSA-O 1 0 332.453 2.060 40 50 EEGBRO CN(CC[N+]1(C)CCCC1)P(=O)(N1CCCC1)N1CCCC1 ZINC000104209032 717147315 /nfs/dbraw/zinc/14/73/15/717147315.db2.gz RKMJMQMIPXPOIH-UHFFFAOYSA-N 1 0 329.449 2.458 40 50 EEGBRO