smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC/C(C(=O)[O-])=C(/C)C(=O)[O-] ZINC000014276210 519989033 /nfs/dbraw/zinc/98/90/33/519989033.db2.gz ULSDRNDLXFVDED-WUKNDPDISA-N -2 0 326.477 5.563 10 30 EKEERL CCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-] ZINC000014276303 564087272 /nfs/dbraw/zinc/08/72/72/564087272.db2.gz ULSDRNDLXFVDED-MSUUIHNZSA-N -2 0 326.477 5.563 10 30 in-vivo EKEERL CCCCCCCCCCCCCCC(F)(F)P(=O)([O-])[O-] ZINC000036178965 541108880 /nfs/dbraw/zinc/10/88/80/541108880.db2.gz YGXPAGSHLFJKFV-UHFFFAOYSA-N -2 0 328.380 5.848 10 30 in-vivo EKEERL CCCCCCCC/C(C(=O)[O-])=C(\CCCCCCCC)C(=O)[O-] ZINC000103692312 219320338 /nfs/dbraw/zinc/32/03/38/219320338.db2.gz YEVWZGJURAGMOP-ZCXUNETKSA-N -2 0 340.504 5.953 10 30 EKEERL CCCCCCCC/C(C(=O)[O-])=C(/CCCCCCCC)C(=O)[O-] ZINC000103692316 219319364 /nfs/dbraw/zinc/31/93/64/219319364.db2.gz YEVWZGJURAGMOP-ISLYRVAYSA-N -2 0 340.504 5.953 10 30 EKEERL CCCCCCCCCC[C@@](CCCC)(CCCC(=O)[O-])C(=O)[O-] ZINC000103839993 219326023 /nfs/dbraw/zinc/32/60/23/219326023.db2.gz KMJYCSJPZGDLNE-FQEVSTJZSA-N -2 0 342.520 6.033 10 30 EKEERL CCCCCCCCCC[C@](CCCC)(CCCC(=O)[O-])C(=O)[O-] ZINC000103839997 219325893 /nfs/dbraw/zinc/32/58/93/219325893.db2.gz KMJYCSJPZGDLNE-HXUWFJFHSA-N -2 0 342.520 6.033 10 30 EKEERL CCCCCCCCCCCCCC/C=C\C=C/OP(=O)([O-])[O-] ZINC000103845016 204087929 /nfs/dbraw/zinc/08/79/29/204087929.db2.gz OZXHJMFUPFOZLA-IUILNFPDSA-N -2 0 346.448 6.257 10 30 EKEERL CCCCCCCCCCCCCC/C=C/C=C\OP(=O)([O-])[O-] ZINC000103845021 219325939 /nfs/dbraw/zinc/32/59/39/219325939.db2.gz OZXHJMFUPFOZLA-FQASWMIKSA-N -2 0 346.448 6.257 10 30 EKEERL CCCCCCCCCCCCCC/C=C\C=C\OP(=O)([O-])[O-] ZINC000103845025 219326455 /nfs/dbraw/zinc/32/64/55/219326455.db2.gz OZXHJMFUPFOZLA-LZFZKRRQSA-N -2 0 346.448 6.257 10 30 EKEERL CCCCCCCCCCCCCC/C=C/C=C/OP(=O)([O-])[O-] ZINC000103845030 219326579 /nfs/dbraw/zinc/32/65/79/219326579.db2.gz OZXHJMFUPFOZLA-GKIXDJALSA-N -2 0 346.448 6.257 10 30 EKEERL CCCCCCCCCCCCCCCC(=O)OP(=O)([O-])[O-] ZINC000116928535 564072915 /nfs/dbraw/zinc/07/29/15/564072915.db2.gz KUIJPSLAGAQZTC-UHFFFAOYSA-N -2 0 336.409 5.104 10 30 EKEERL CCCCCCCCCCCCCCCCC(C)(C(=O)[O-])C(=O)[O-] ZINC000141771548 564130142 /nfs/dbraw/zinc/13/01/42/564130142.db2.gz QCLVXKHDNXWWHC-UHFFFAOYSA-N -2 0 342.520 6.033 10 30 EKEERL