smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ClCc1ccc(-c2nnn[n-]2)nc1 95235324 1423728602 /nfs/dbraw/zinc/72/86/02/1423728602.db2.gz GQWLBGUNNNUEAJ-UHFFFAOYSA-N -1 1 195.613 1.001 10 50 ADGEMM ClCc1cccc(-c2nnn[n-]2)c1 95220505 1423745084 /nfs/dbraw/zinc/74/50/84/1423745084.db2.gz AFRSKWSQRDWOBD-UHFFFAOYSA-N -1 1 194.625 1.606 10 50 ADGEMM Cl[C@H](c1ccccc1)c1nn[n-]n1 95182501 1423914104 /nfs/dbraw/zinc/91/41/04/1423914104.db2.gz HJCIRMRTYTVGBW-SSDOTTSWSA-N -1 1 194.625 1.528 10 50 ADGEMM ClCCCCCc1nnn[n-]1 2546991 1424033351 /nfs/dbraw/zinc/03/33/51/1424033351.db2.gz UJRDRVTWJZHDAM-UHFFFAOYSA-N -1 1 174.635 1.151 10 50 ADGEMM Cl[C@@H](c1ccccc1)c1nn[n-]n1 95182499 1424163673 /nfs/dbraw/zinc/16/36/73/1424163673.db2.gz HJCIRMRTYTVGBW-ZETCQYMHSA-N -1 1 194.625 1.528 10 50 ADGEMM ClCCCCCCc1nnn[n-]1 2546993 1424459539 /nfs/dbraw/zinc/45/95/39/1424459539.db2.gz MDKNCRNGAALEFX-UHFFFAOYSA-N -1 1 188.662 1.541 10 50 ADGEMM N#CC(=Cc1ccccc1)c1nn[n-]n1 584609581 1429320471 /nfs/dbraw/zinc/32/04/71/1429320471.db2.gz JNLYULSBVGOPEX-RMKNXTFCSA-N -1 1 197.201 1.264 10 50 ADGEMM