smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccc3ccccc3c2c[n+]2ccccc12 ZINC000001646226 177638191 /nfs/dbraw/zinc/63/81/91/177638191.db2.gz JHWCLILAQMZVGV-UHFFFAOYSA-N 1 0 244.317 4.040 40 10 BICBRO Cc1c[n+]2ccc3ccccc3c2c2ccccc12 ZINC000001697356 342709793 /nfs/dbraw/zinc/70/97/93/342709793.db2.gz XHUFEZSDQWSSOZ-UHFFFAOYSA-N 1 0 244.317 4.040 40 10 BICBRO Cc1cccc(N[N+](=O)c2cccc(C)c2)c1 ZINC000004582659 179003288 /nfs/dbraw/zinc/00/32/88/179003288.db2.gz OCIMXNSZRVIRQB-NXVVXOECSA-N 1 0 226.279 4.229 40 10 BICBRO Cc1ccc(N[N+](=O)c2ccc(C)cc2)cc1 ZINC000004582680 178361319 /nfs/dbraw/zinc/36/13/19/178361319.db2.gz SDCOJRCIBWCATN-NXVVXOECSA-N 1 0 226.279 4.229 40 10 BICBRO Cc1ccccc1N[N+](=O)c1ccccc1C ZINC000004582681 179244402 /nfs/dbraw/zinc/24/44/02/179244402.db2.gz ROMBIGIVDIQGKC-FOCLMDBBSA-N 1 0 226.279 4.229 40 10 BICBRO C[n+]1ccc(/N=N/c2ccccc2)c2ccccc21 ZINC000014983237 342890099 /nfs/dbraw/zinc/89/00/99/342890099.db2.gz ITOGQTUSPWKYAA-UHFFFAOYSA-N 1 0 248.309 4.080 40 10 BICBRO Cc1c2cccc[n+]2cc2ccc3ccccc3c21 ZINC000017300936 177635956 /nfs/dbraw/zinc/63/59/56/177635956.db2.gz XUEPATQPGXLRKQ-UHFFFAOYSA-N 1 0 244.317 4.040 40 10 BICBRO Cc1ccccc1N[N+](=O)c1ccccc1C ZINC000100259204 179244922 /nfs/dbraw/zinc/24/49/22/179244922.db2.gz ROMBIGIVDIQGKC-NXVVXOECSA-N 1 0 226.279 4.229 40 10 BICBRO Cc1ccc(N[N+](=O)c2ccc(C)cc2)cc1 ZINC000101183820 178360742 /nfs/dbraw/zinc/36/07/42/178360742.db2.gz SDCOJRCIBWCATN-FOCLMDBBSA-N 1 0 226.279 4.229 40 10 BICBRO Cc1cccc(N[N+](=O)c2cccc(C)c2)c1 ZINC000102312971 179003587 /nfs/dbraw/zinc/00/35/87/179003587.db2.gz OCIMXNSZRVIRQB-FOCLMDBBSA-N 1 0 226.279 4.229 40 10 BICBRO