smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCCCO)c21 ZINC000006117610 170177135 /nfs/dbraw/zinc/17/71/35/170177135.db2.gz JDGFSJJFVQICMI-UHFFFAOYSA-N 1 1 297.314 3.091 1 10 CGCFMO Oc1c(C[NH+]2CCSCC2)cc(Cl)c2cccnc12 ZINC000096916537 185130211 /nfs/dbraw/zinc/13/02/11/185130211.db2.gz ZYQCQCZKXYWSRP-UHFFFAOYSA-N 1 1 294.807 3.143 1 10 CGCFMO CCCC[N@@H+](CCC)CCc1ccc(O)c(O)c1 ZINC000005821169 170143962 /nfs/dbraw/zinc/14/39/62/170143962.db2.gz RGTAZIDCEVLAOJ-UHFFFAOYSA-N 1 1 251.370 3.152 1 10 CGCFMO