smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2c3cc(NCCN(C)C)ccc3n(CC[NH+](C)C)c2nc2ccccc21 ZINC000084742314 205398419 /nfs/dbraw/zinc/39/84/19/205398419.db2.gz RTTIKBHDHKOSNI-UHFFFAOYSA-N 1 3 389.547 4.186 1 5 GIBFHO Cc1c2c3ccccc3n(CC[NH+](C)C)c2nc2ccc(OCCN(C)C)cc21 ZINC000084688600 208095218 /nfs/dbraw/zinc/09/52/18/208095218.db2.gz NJAGDFBMPZRKOJ-UHFFFAOYSA-N 1 3 390.531 4.153 1 5 GIBFHO CC[NH+](CC)CCCNc1ccc(CNC)c2sc3ccccc3c(=O)c12 ZINC000100891915 211392602 /nfs/dbraw/zinc/39/26/02/211392602.db2.gz KDDYZUZYNYTINL-UHFFFAOYSA-N 1 3 383.561 4.278 1 5 GIBFHO Cc1c2c3cc(OCCN(C)C)ccc3n(CC[NH+](C)C)c2nc2ccccc21 ZINC000084741299 222322174 /nfs/dbraw/zinc/32/21/74/222322174.db2.gz BMXLSSJVYHSNCS-UHFFFAOYSA-N 1 3 390.531 4.153 1 5 GIBFHO Cc1c2c3ccccc3n(CC[NH+](C)C)c2nc2ccc(NCCN(C)C)cc21 ZINC000084672010 222320250 /nfs/dbraw/zinc/32/02/50/222320250.db2.gz DTSAMARCWLEZJY-UHFFFAOYSA-N 1 3 389.547 4.186 1 5 GIBFHO