smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000017055337 182072576 /nfs/dbraw/zinc/07/25/76/182072576.db2.gz VPJYKPVMPQMOLY-NBVRZTHBSA-N 0 2 320.396 3.970 10 10 DHCELN CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1cccnc1 ZINC000017055337 182072578 /nfs/dbraw/zinc/07/25/78/182072578.db2.gz VPJYKPVMPQMOLY-NBVRZTHBSA-N 0 2 320.396 3.970 10 10 DHCELN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccnc1 ZINC000017055337 182072579 /nfs/dbraw/zinc/07/25/79/182072579.db2.gz VPJYKPVMPQMOLY-NBVRZTHBSA-N 0 2 320.396 3.970 10 10 DHCELN O=c1c2ccc(O)c(O)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000006454246 181341983 /nfs/dbraw/zinc/34/19/83/181341983.db2.gz JPQOLHQTJRIHOU-UHFFFAOYSA-N 0 2 322.238 3.890 10 10 DHCELN COC(=O)c1sc2c(cnc3cc(Cl)c(C)cc23)c1O ZINC000072237422 191080301 /nfs/dbraw/zinc/08/03/01/191080301.db2.gz ATHRWVDEVPEMDX-UHFFFAOYSA-N 0 2 307.758 3.904 10 10 DHCELN