smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NN=Cc1ccc(-c2ccc(C=NNC(N)=[NH2+])cc2)cc1 ZINC000043393822 183359030 /nfs/dbraw/zinc/35/90/30/183359030.db2.gz MYDAQHDAAORHJC-VGENTYGXSA-N 2 2 322.376 0.778 1 30 DCEFLP O/N=C/c1cc[n+](COC[n+]2ccc(/C=N/O)c(F)c2)cc1F ZINC000040408558 183062365 /nfs/dbraw/zinc/06/23/65/183062365.db2.gz UBIAJVNIKSKXSK-UHFFFAOYSA-P 2 2 324.287 0.788 1 30 DCEFLP C[NH+](C)C1CSC(C#N)(C(=O)N2CC[NH+](C)CC2)SC1 ZINC000039612628 183020948 /nfs/dbraw/zinc/02/09/48/183020948.db2.gz LUYNDMKRVQPEQH-UHFFFAOYSA-N 2 2 314.480 0.390 1 30 DCEFLP