smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([C@@H](C2Sc3nc(C)nn3C2=O)N2CCN(S(C)(=O)=O)CC2)c1OC ZINC000218146421 569882965 /nfs/dbraw/zinc/88/29/65/569882965.db2.gz RVAYUNFBEUFTAR-HNNXBMFYSA-N 0 2 467.573 1.489 50 70 JDIALN COc1nccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1 ZINC000217461320 569880089 /nfs/dbraw/zinc/88/00/89/569880089.db2.gz LWVLRCBFONQTPN-UHFFFAOYSA-N 0 2 467.463 1.521 50 70 JDIALN COc1cccc([C@H](C2Sc3nc(C)nn3C2=O)N2CCN(S(C)(=O)=O)CC2)c1OC ZINC000218146472 569882909 /nfs/dbraw/zinc/88/29/09/569882909.db2.gz RVAYUNFBEUFTAR-OAHLLOKOSA-N 0 2 467.573 1.489 50 70 JDIALN