smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc(-n2[n-]ccc2=O)c1 159940979 344155115 /nfs/dbraw/zinc/15/51/15/344155115.db2.gz QQYJPJINIBLXPA-UHFFFAOYSA-N -1 1 188.230 2.195 10 70 AEIEMM O=c1cc[n-]n1C1CCCCCC1 159942526 344154909 /nfs/dbraw/zinc/15/49/09/344154909.db2.gz ZRRKWDJQQPSUBH-UHFFFAOYSA-N -1 1 180.251 2.484 10 70 AEIEMM Cc1cc(F)ccc1-n1[n-]ccc1=O 159948770 344155166 /nfs/dbraw/zinc/15/51/66/344155166.db2.gz CMBOIPGIXCHOHY-UHFFFAOYSA-N -1 1 192.193 2.025 10 70 AEIEMM CCc1c(F)ccc(F)c1[O-] 217475433 344401965 /nfs/dbraw/zinc/40/19/65/344401965.db2.gz JSAAWFHXNLBHGU-UHFFFAOYSA-N -1 1 158.147 2.233 10 70 AEIEMM CCc1ccc(F)c(F)c1[O-] 217478867 344401987 /nfs/dbraw/zinc/40/19/87/344401987.db2.gz KMKVAPRUXFPGIF-UHFFFAOYSA-N -1 1 158.147 2.233 10 70 AEIEMM