smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCc2ccccc2)CC[N+](C)(CCc2ccccc2)CC1 ZINC000001577553 257231335 /nfs/dbraw/zinc/23/13/35/257231335.db2.gz QHMWFKFYBLBRER-UHFFFAOYSA-N 2 0 324.512 3.379 40 5 DGBBRP C[N+]1(CCC[N+]2(C)CCC3(CCCCC3)CC2)CCOCC1 ZINC000001603883 300877094 /nfs/dbraw/zinc/87/70/94/300877094.db2.gz HGJQIQXGGUADPN-UHFFFAOYSA-N 2 0 310.526 3.044 40 5 DGBBRP c1ccc(CC[N+]23CC[N+](CCc4ccccc4)(CC2)C3)cc1 ZINC000019319548 280479045 /nfs/dbraw/zinc/47/90/45/280479045.db2.gz FNLQDWXPVABILD-UHFFFAOYSA-N 2 0 308.469 3.090 40 5 DGBBRP C[N+]1(CCOC[C@H]2CCC[N+]3(C)CCCC[C@H]23)CCCCC1 ZINC000002139954 431244024 /nfs/dbraw/zinc/24/40/24/431244024.db2.gz YEBJFOUHZMECGW-AQFHOAJTSA-N 2 0 310.526 3.043 40 5 biogenic,in-vitro DGBBRP C[N+]1(CCOC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)CCCCC1 ZINC000004029179 181064201 /nfs/dbraw/zinc/06/42/01/181064201.db2.gz YEBJFOUHZMECGW-KTVLMBSMSA-N 2 0 310.526 3.043 40 5 biogenic,in-vitro DGBBRP C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCCCC1 ZINC000247694059 257117804 /nfs/dbraw/zinc/11/78/04/257117804.db2.gz YEBJFOUHZMECGW-ZJOUEHCJSA-N 2 0 310.526 3.043 40 5 biogenic,in-vitro DGBBRP CC[N+](C)(CC)CCSCCSCC[N+](C)(CC)CC ZINC000005469376 181247331 /nfs/dbraw/zinc/24/73/31/181247331.db2.gz YYNWLQBVLZOTBA-UHFFFAOYSA-N 2 0 322.628 3.426 40 5 DGBBRP C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)CCCCC1 ZINC000247694054 257117925 /nfs/dbraw/zinc/11/79/25/257117925.db2.gz YEBJFOUHZMECGW-IRFCIJBXSA-N 2 0 310.526 3.043 40 5 biogenic,in-vitro DGBBRP