smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(-c2ccc(C=NNC(=N)NCCCCCCNC(=N)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)c[n+]2ccccc12 ZINC000150421118 571487515 /nfs/dbraw/zinc/48/75/15/571487515.db2.gz XSVDXEILQZYPJY-LJDMBYTLSA-N 2 3 668.854 4.331 40 30 KIEBHP Cn1c(-c2ccc(C=NNC(=N)NCCCCCCNC(=N)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)c[n+]2ccccc12 ZINC000150421121 571487475 /nfs/dbraw/zinc/48/74/75/571487475.db2.gz XSVDXEILQZYPJY-OBWYSMLFSA-N 2 3 668.854 4.331 40 30 KIEBHP