smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c(Cl)ccc(-c2ccccc2C=N[O-])c1F ZINC001236178738 1130879842 /nfs/dbraw/zinc/87/98/42/1130879842.db2.gz OPWGGFNEUOQPBU-UHFFFAOYSA-N -2 0 293.681 3.652 20 30 CHEDRL N#Cc1ccc(-c2cc([S-])cc([S-])c2)c(F)c1 ZINC001236531598 1130966540 /nfs/dbraw/zinc/96/65/40/1130966540.db2.gz DKRZIUPIQDYVOB-UHFFFAOYSA-N -2 0 261.346 3.942 20 30 CHEDRL CCC1=C(Oc2c(O)ccc3ccccc32)C(=O)[C@@H](C)O1 ZINC001231228930 1132274226 /nfs/dbraw/zinc/27/42/26/1132274226.db2.gz XQKYYNMJPPWMEE-SNVBAGLBSA-N -2 0 284.311 3.534 20 30 CHEDRL N#Cc1cc(Nc2ccc(Cl)c([O-])c2F)c([O-])cc1F ZINC001214804742 1134576467 /nfs/dbraw/zinc/57/64/67/1134576467.db2.gz YICXDVDGBUFVOB-UHFFFAOYSA-N -2 0 296.660 3.645 20 30 CHEDRL N#Cc1cc(Nc2c(O)cccc2Cl)c([O-])cc1F ZINC001215986813 1134741317 /nfs/dbraw/zinc/74/13/17/1134741317.db2.gz RHDCMGCTYINIQO-UHFFFAOYSA-N -2 0 278.670 3.506 20 30 CHEDRL [S-]c1cc([S-])cc(NCC#Cc2ccccc2)c1 ZINC001170429428 1130537545 /nfs/dbraw/zinc/53/75/45/1130537545.db2.gz FPRQYZBJIJFDQX-UHFFFAOYSA-N -2 0 271.410 3.728 20 30 CHEDRL N#Cc1c([O-])csc1Nc1ccc(Cl)c([O-])c1F ZINC001214796296 1134573520 /nfs/dbraw/zinc/57/35/20/1134573520.db2.gz NKFMEGDWOLDJIQ-UHFFFAOYSA-N -2 0 284.699 3.567 20 30 CHEDRL C[C@@H](O/C(=N\O)c1ccc(Cl)cc1)C1=CC=C[CH]1 ZINC001223593838 1121267861 /nfs/dbraw/zinc/26/78/61/1121267861.db2.gz PJPITJYULBWXIY-UKNJIDDLSA-N -2 0 262.716 3.581 20 30 CHEDRL N#Cc1ccc(CNc2cc([S-])cc([S-])c2)cc1F ZINC001170095685 1130224814 /nfs/dbraw/zinc/22/48/14/1130224814.db2.gz LZAKRZYBBGGPFM-UHFFFAOYSA-N -2 0 290.388 3.887 20 30 CHEDRL N#Cc1cc(Nc2cccc(O)c2Cl)c([O-])cc1F ZINC001210859232 1134314026 /nfs/dbraw/zinc/31/40/26/1134314026.db2.gz BVJKMQSIYOXXRZ-UHFFFAOYSA-N -2 0 278.670 3.506 20 30 CHEDRL COc1ccc(C#N)cc1-c1cc([S-])cc([S-])c1 ZINC001236546759 1130971602 /nfs/dbraw/zinc/97/16/02/1130971602.db2.gz KZDZPIJKULNUMP-UHFFFAOYSA-N -2 0 273.382 3.811 20 30 CHEDRL N#Cc1ccc(CCNc2cc([S-])cc([S-])c2)cc1 ZINC001167679358 1119659797 /nfs/dbraw/zinc/65/97/97/1119659797.db2.gz NULRAHQRKWWJGL-UHFFFAOYSA-N -2 0 286.425 3.790 20 30 CHEDRL C=C(C)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242029 1121583947 /nfs/dbraw/zinc/58/39/47/1121583947.db2.gz KNKALEOAQONGDP-UHFFFAOYSA-N -2 0 297.310 3.860 20 30 CHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccccc1[O-] ZINC000794941640 1124093699 /nfs/dbraw/zinc/09/36/99/1124093699.db2.gz SZGQUNAZMVXNMA-BQYQJAHWSA-N -2 0 296.322 3.603 20 30 CHEDRL N#Cc1cc(-c2cc([S-])cc([S-])c2)ccc1F ZINC001235895963 1130797118 /nfs/dbraw/zinc/79/71/18/1130797118.db2.gz WCDWCSWYLOVZBI-UHFFFAOYSA-N -2 0 261.346 3.942 20 30 CHEDRL CCC1=C(Oc2c(O)ccc3ccccc32)C(=O)[C@H](C)O1 ZINC001231228924 1132274549 /nfs/dbraw/zinc/27/45/49/1132274549.db2.gz XQKYYNMJPPWMEE-JTQLQIEISA-N -2 0 284.311 3.534 20 30 CHEDRL N#Cc1ccc(-c2cc([S-])cc([S-])c2)cc1F ZINC001240156405 1130226527 /nfs/dbraw/zinc/22/65/27/1130226527.db2.gz BHLPIFSWLSPBRO-UHFFFAOYSA-N -2 0 261.346 3.942 20 30 CHEDRL CC1(C)CC(=O)C=C(Nc2cc([S-])cc([S-])c2)C1 ZINC001169952668 1129767240 /nfs/dbraw/zinc/76/72/40/1129767240.db2.gz DLAVWLRBLLZYTE-UHFFFAOYSA-N -2 0 279.430 3.949 20 30 CHEDRL N#Cc1ccc(O)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489689 1120311941 /nfs/dbraw/zinc/31/19/41/1120311941.db2.gz HHJJDPCUZVDARE-UHFFFAOYSA-N -2 0 278.670 3.506 20 30 CHEDRL O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccccc1[O-] ZINC000255306418 1118594438 /nfs/dbraw/zinc/59/44/38/1118594438.db2.gz JZROLQJDPNXUGU-ALCCZGGFSA-N -2 0 274.703 3.647 20 30 CHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccccc1[O-] ZINC000794941641 1124093898 /nfs/dbraw/zinc/09/38/98/1124093898.db2.gz SZGQUNAZMVXNMA-FPLPWBNLSA-N -2 0 296.322 3.603 20 30 CHEDRL N#Cc1ccccc1CNc1cc([S-])cc([S-])c1 ZINC001167632726 1119247576 /nfs/dbraw/zinc/24/75/76/1119247576.db2.gz ASTUMVJDHBEMGC-UHFFFAOYSA-N -2 0 272.398 3.748 20 30 CHEDRL C[C@H](O/C(=N\O)c1ccc(Cl)cc1)C1=CC=C[CH]1 ZINC001223593836 1121267021 /nfs/dbraw/zinc/26/70/21/1121267021.db2.gz PJPITJYULBWXIY-MKPGZACHSA-N -2 0 262.716 3.581 20 30 CHEDRL N#C[C@H]1CC[C@H](Nc2cc([S-])cc([S-])c2)CC1 ZINC001167845712 1121088151 /nfs/dbraw/zinc/08/81/51/1121088151.db2.gz OTICNZQPDMVYCM-MGCOHNPYSA-N -2 0 264.419 3.758 20 30 CHEDRL