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-])c1cccc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000033907127 527385086 /nfs/dbraw/zinc/38/50/86/527385086.db2.gz SVNOKVLWBFXZIQ-QNGOZBTKSA-N 0 1 410.482 3.206 1 30 HGEFMN N#Cc1ccc(Cn2cncc2CN[C@@H]2CCN(c3cccc4ncccc43)C2=O)cc1 ZINC000034046696 581100994 /nfs/dbraw/zinc/10/09/94/581100994.db2.gz BRCCXAUQKZKZAB-HSZRJFAPSA-N 0 1 422.492 3.246 1 30 HGEFMN N#Cc1ccc(Cn2cncc2CN[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000001494102 581101065 /nfs/dbraw/zinc/10/10/65/581101065.db2.gz VYLMFRUDZGQCNT-JOCHJYFZSA-N 0 1 419.916 3.347 1 30 HGEFMN CN(C)c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)[nH]c(=O)c2C#N)cc1 ZINC000003649571 132267731 /nfs/dbraw/zinc/26/77/31/132267731.db2.gz RPIDKCPIZGLOSG-UHFFFAOYSA-N 0 1 400.486 3.113 1 30 HGEFMN N#Cc1ccc(Cn2cncc2CN[C@H]2CCCCN(Cc3ccccc3)C2=O)cc1 ZINC000003945431 581101025 /nfs/dbraw/zinc/10/10/25/581101025.db2.gz UOOPOGXXNZHSPG-DEOSSOPVSA-N 0 1 413.525 3.474 1 30 HGEFMN CCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000102189081 717145568 /nfs/dbraw/zinc/14/55/68/717145568.db2.gz GNSZJQDOCBSIJN-GOSISDBHSA-O 0 1 412.484 3.135 1 30 HGEFMN