smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc([NH+](C)C)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000006043953 181307698 /nfs/dbraw/zinc/30/76/98/181307698.db2.gz MPMRBXOTQOAFPJ-UHFFFAOYSA-N 2 2 311.816 5.006 50 0 DKAALP C[NH+](CCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(C)(C)C ZINC000044075624 183393639 /nfs/dbraw/zinc/39/36/39/183393639.db2.gz VGCWVKVNKNXOGZ-QZTJIDSGSA-N 2 2 310.570 5.034 50 0 DKAALP C[NH+](CCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C ZINC000044075624 183393637 /nfs/dbraw/zinc/39/36/37/183393637.db2.gz VGCWVKVNKNXOGZ-QZTJIDSGSA-N 2 2 310.570 5.034 50 0 DKAALP C[NH+](CCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(C)(C)C ZINC000044075626 183393380 /nfs/dbraw/zinc/39/33/80/183393380.db2.gz VGCWVKVNKNXOGZ-ROUUACIJSA-N 2 2 310.570 5.034 50 0 DKAALP C[NH+](CCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C ZINC000044075626 183393377 /nfs/dbraw/zinc/39/33/77/183393377.db2.gz VGCWVKVNKNXOGZ-ROUUACIJSA-N 2 2 310.570 5.034 50 0 DKAALP