smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)/C=C/c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164898444 721432506 /nfs/dbraw/zinc/43/25/06/721432506.db2.gz VZHGICGUJAFFJV-BJPOTMLSSA-N 1 3 444.580 2.288 20 5 IEBDHO CN(C)/C=C/c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164898453 721432244 /nfs/dbraw/zinc/43/22/44/721432244.db2.gz VZHGICGUJAFFJV-IVFUSOGKSA-N 1 3 444.580 2.288 20 5 IEBDHO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164898448 721432814 /nfs/dbraw/zinc/43/28/14/721432814.db2.gz VZHGICGUJAFFJV-BUBNMIKSSA-N 1 3 444.580 2.288 20 5 IEBDHO CN(C)/C=C\c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164898451 721432751 /nfs/dbraw/zinc/43/27/51/721432751.db2.gz VZHGICGUJAFFJV-HTNXSTSNSA-N 1 3 444.580 2.288 20 5 IEBDHO