smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC/C=C/CCCCCC ZINC000001765401 171002734 /nfs/dbraw/zinc/00/27/34/171002734.db2.gz JABYJIQOLGWMQW-VQHVLOKHSA-N 0 0 154.297 4.313 1 30 endogenous,in-man AIEFRN C=C(C)OC/C=C(/C)CCC=C(C)C ZINC000059588515 560082670 /nfs/dbraw/zinc/08/26/70/560082670.db2.gz AAUVMWXXRMULTG-LCYFTJDESA-N 0 0 194.318 4.229 1 30 biogenic,in-vitro AIEFRN CCC#CC(=C=C(CC)CCC)CC ZINC000059588605 560082679 /nfs/dbraw/zinc/08/26/79/560082679.db2.gz HFTHVMPRQHDBBN-UHFFFAOYSA-N 0 0 190.330 4.472 1 30 biogenic,in-vitro AIEFRN C=C[C@H]1C[C@H](C(=C)C)CC[C@@]1(C)C=C ZINC000069482343 290749367 /nfs/dbraw/zinc/74/93/67/290749367.db2.gz NMQLKXNABMBXMS-HZSPNIEDSA-N 0 0 190.330 4.357 1 30 biogenic,in-vitro AIEFRN C=C1[C@H]2CC[C@H](C2)[C@]1(C)C1CCCC1 ZINC000085546711 290749361 /nfs/dbraw/zinc/74/93/61/290749361.db2.gz DABMIDXPAWCMAP-YUTCNCBUSA-N 0 0 190.330 4.169 1 30 biogenic,in-vitro AIEFRN C=C(C)[C@H]1C=C2[C@H](C)CC[C@@H]2[C@H](C)C1 ZINC000085644714 290749363 /nfs/dbraw/zinc/74/93/63/290749363.db2.gz BPLDDYMDTOCILN-FDYHWXHSSA-N 0 0 190.330 4.191 1 30 biogenic,in-vitro AIEFRN C=C(/C=C\C=C\C=C\CCC)CC ZINC000095099597 560062236 /nfs/dbraw/zinc/06/22/36/560062236.db2.gz RZGSUZFEXWRDNH-CPIUXLSQSA-N 0 0 176.303 4.421 1 30 biogenic,in-vitro AIEFRN C=CC/C=C/C/C=C/C/C=C/C ZINC000071621143 166161868 /nfs/dbraw/zinc/16/18/68/166161868.db2.gz RCRMTWBZRLYXQC-FNCTZUPOSA-N 0 0 162.276 4.031 2 30 AIEFRN