smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)OC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000015444150 182002349 /nfs/dbraw/zinc/00/23/49/182002349.db2.gz BBIBTEWJPBKRIP-UHFFFAOYSA-N 0 2 315.251 2.145 30 0 DEACLN CC(C)OC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000015444148 182002333 /nfs/dbraw/zinc/00/23/33/182002333.db2.gz MGKJNJFWHXJYRS-UHFFFAOYSA-N 0 2 316.144 2.433 30 0 DEACLN CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1 ZINC000015444264 182002602 /nfs/dbraw/zinc/00/26/02/182002602.db2.gz PFUGDFCFHORSHG-UHFFFAOYSA-N 0 2 302.117 2.044 30 0 DEACLN CC(C)OC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1 ZINC000015444160 182002244 /nfs/dbraw/zinc/00/22/44/182002244.db2.gz XHJSBRKDJRQIEA-UHFFFAOYSA-N 0 2 316.144 2.433 30 0 DEACLN CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 ZINC000015444272 182002290 /nfs/dbraw/zinc/00/22/90/182002290.db2.gz CFHJBNLGHFTZFE-UHFFFAOYSA-N 0 2 302.117 2.044 30 0 DEACLN COC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000015444165 182002458 /nfs/dbraw/zinc/00/24/58/182002458.db2.gz CROUXXMLFDOHBM-UHFFFAOYSA-N 0 2 322.535 2.307 30 0 DEACLN O=C(Nc1ccccc1Cl)c1nn(-c2ccccc2)c(=O)[nH]1 ZINC000015444279 182002521 /nfs/dbraw/zinc/00/25/21/182002521.db2.gz DNZJXLGSQIGWTH-UHFFFAOYSA-N 0 2 314.732 2.466 30 0 DEACLN O=C(Nc1ccccc1)c1nn(-c2ccccc2Cl)c(=O)[nH]1 ZINC000015444293 182002547 /nfs/dbraw/zinc/00/25/47/182002547.db2.gz LLJGAJOEUXTSQE-UHFFFAOYSA-N 0 2 314.732 2.466 30 0 DEACLN O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000015444282 182002461 /nfs/dbraw/zinc/00/24/61/182002461.db2.gz XRXJGVUVZRTBOL-UHFFFAOYSA-N 0 2 314.732 2.466 30 0 DEACLN