smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)CN(Cc2cc(Cl)cc(Cl)c2[O-])CC1=O ZINC001203574216 743875890 /nfs/dbraw/zinc/87/58/90/743875890.db2.gz PZJMDXSGYBISGW-UHFFFAOYSA-N -1 0 317.172 1.890 20 10 DDCDRM Cn1ccc(CNC(=O)c2cc(O)c([O-])c(Cl)c2)cc1=O ZINC001193626235 746153782 /nfs/dbraw/zinc/15/37/82/746153782.db2.gz SSWARSIYLUIOAY-UHFFFAOYSA-N -1 0 308.721 1.380 20 10 DDCDRM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147890079 773271609 /nfs/dbraw/zinc/27/16/09/773271609.db2.gz YIVZWEPESXUTDV-YPMHNXCESA-N -1 0 301.346 1.321 20 10 DDCDRM COc1cc(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)no1 ZINC001147879017 773284919 /nfs/dbraw/zinc/28/49/19/773284919.db2.gz YUGMLIPMTFTNIA-UHFFFAOYSA-N -1 0 300.274 1.415 20 10 DDCDRM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001270175795 842356625 /nfs/dbraw/zinc/35/66/25/842356625.db2.gz IQCPNHINBFDLFO-MGPLVRAMSA-N -1 0 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O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889672 773271820 /nfs/dbraw/zinc/27/18/20/773271820.db2.gz ONOPVRYVFAUDCZ-GFCCVEGCSA-N -1 0 323.356 1.176 20 10 DDCDRM COC[C@@H]1CCCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147880951 773284925 /nfs/dbraw/zinc/28/49/25/773284925.db2.gz NHGJAPLRAFEQNT-AWEZNQCLSA-N -1 0 315.373 1.807 20 10 DDCDRM COC(=O)CN(CCc1cn[nH]n1)Cc1cc(Cl)ccc1O ZINC001347103947 874015701 /nfs/dbraw/zinc/01/57/01/874015701.db2.gz IEYAKUZXMDMKKN-UHFFFAOYSA-N -1 0 324.768 1.381 20 10 DDCDRM COC(=O)c1sc(C(=O)OC)c(O[C@@H]2COC[C@H]2F)c1[O-] ZINC001227620635 883108474 /nfs/dbraw/zinc/10/84/74/883108474.db2.gz NNGMBHHZVPRQRM-PHDIDXHHSA-N -1 0 320.294 1.143 20 10 DDCDRM CCOC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCC1=O ZINC001231560801 885733384 /nfs/dbraw/zinc/73/33/84/885733384.db2.gz NGZVAHWMQBATBF-LBPRGKRZSA-N -1 0 321.329 1.045 20 10 DDCDRM O=C1CC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251432600 894706885 /nfs/dbraw/zinc/70/68/85/894706885.db2.gz 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DDCDRM COc1ccc(O)c(CNC(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000738104505 603141578 /nfs/dbraw/zinc/14/15/78/603141578.db2.gz GOQPOPUMDLIMRK-UHFFFAOYSA-N -1 0 308.334 1.407 20 10 DDCDRM CC(=O)c1cc(F)cc(CN2CCC[C@@H](NC(=O)[O-])C2)c1O ZINC000823626705 604223620 /nfs/dbraw/zinc/22/36/20/604223620.db2.gz BBMVMBNYOOTFAI-GFCCVEGCSA-N -1 0 310.325 1.966 20 10 DDCDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1ccc(O)c(O)c1 ZINC000834131454 605546951 /nfs/dbraw/zinc/54/69/51/605546951.db2.gz STHUKPJALCLACD-ZETCQYMHSA-N -1 0 304.249 1.005 20 10 DDCDRM Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(O)c1O ZINC000833904947 605692749 /nfs/dbraw/zinc/69/27/49/605692749.db2.gz ZZBPZDGMDWOFJG-MNOVXSKESA-N -1 0 322.361 1.915 20 10 DDCDRM O=C([O-])NC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000834210909 605694224 /nfs/dbraw/zinc/69/42/24/605694224.db2.gz UGUXZHDVVRCTRG-GSQGTZRGSA-N -1 0 306.318 1.273 20 10 DDCDRM Cc1n[nH]c(C(=O)NCc2c(O)ccc3c2CCCC3)c1[O-] ZINC000749256878 700153593 /nfs/dbraw/zinc/15/35/93/700153593.db2.gz 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/nfs/dbraw/zinc/07/78/99/703077899.db2.gz JBGJBLDNHHIGCR-OAHLLOKOSA-N -1 0 321.421 1.506 20 10 DDCDRM COc1ccc(N2CC[C@H](NC(=O)CC(C)(C)C(=O)[O-])C2)cc1 ZINC000849183442 703624023 /nfs/dbraw/zinc/62/40/23/703624023.db2.gz RGVIKYXWQRRJOF-LBPRGKRZSA-N -1 0 320.389 1.891 20 10 DDCDRM CN1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])NC1=O ZINC000854473966 704403787 /nfs/dbraw/zinc/40/37/87/704403787.db2.gz GYKHFYVOHRPVSW-SECBINFHSA-N -1 0 318.160 1.339 20 10 DDCDRM CCN(CC)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1F ZINC000857097194 704550504 /nfs/dbraw/zinc/55/05/04/704550504.db2.gz OLOMEEKEGDNGGT-UHFFFAOYSA-N -1 0 323.368 1.898 20 10 DDCDRM CN(Cc1cn(C)nn1)Cc1cccc(Br)c1[O-] ZINC000827305157 705972205 /nfs/dbraw/zinc/97/22/05/705972205.db2.gz OGOKVQXULYYEIM-UHFFFAOYSA-N -1 0 311.183 1.915 20 10 DDCDRM CC(=O)c1cc(=O)n(-c2cc(CO)ccc2Br)[n-]1 ZINC000871961822 707256544 /nfs/dbraw/zinc/25/65/44/707256544.db2.gz REFUJQLJVZKETP-UHFFFAOYSA-N -1 0 311.135 1.623 20 10 DDCDRM COC(=O)C[C@H]1COCCN1Cc1ccc(F)c(F)c1[O-] 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