smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000160561736 367017268 /nfs/dbraw/zinc/01/72/68/367017268.db2.gz HKLKBXVWSVJVQN-UHFFFAOYSA-N 0 2 283.378 2.291 20 70 CEIDLN COc1ccccc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000161287198 532956027 /nfs/dbraw/zinc/95/60/27/532956027.db2.gz MRZSFOBSJSSZRI-UHFFFAOYSA-N 0 2 297.307 2.341 20 70 CEIDLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nncs1 ZINC000160587346 367019641 /nfs/dbraw/zinc/01/96/41/367019641.db2.gz ZMVOLSMLXRBDBY-UHFFFAOYSA-N 0 2 289.769 2.301 20 70 CEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@@]2(CCOC2)C1 ZINC000159432239 366912289 /nfs/dbraw/zinc/91/22/89/366912289.db2.gz SPEYJICACFOJPA-CQSZACIVSA-N 0 2 299.729 2.437 20 70 CEIDLN O=C(CC1CCCC1)NS(=O)(=O)c1ccsc1 ZINC000159808634 534824125 /nfs/dbraw/zinc/82/41/25/534824125.db2.gz AJZMNRXKGLQTJA-UHFFFAOYSA-N 0 2 273.379 2.133 20 70 CEIDLN CC(C)c1cccc(S(=O)(=O)Nc2nncs2)c1 ZINC000160585639 297438599 /nfs/dbraw/zinc/43/85/99/297438599.db2.gz SKCLAEZZDHFZGQ-UHFFFAOYSA-N 0 2 283.378 2.462 20 70 CEIDLN COc1ccsc1S(=O)(=O)Nc1ncc(C)s1 ZINC000159496855 297429103 /nfs/dbraw/zinc/42/91/03/297429103.db2.gz AUATYXUUIOUOSX-UHFFFAOYSA-N 0 2 290.391 2.322 20 70 CEIDLN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(F)cc(Cl)c1O ZINC000160934383 367043780 /nfs/dbraw/zinc/04/37/80/367043780.db2.gz XBIFIAWZEXPNNM-ONOSFVFSSA-N 0 2 285.702 2.234 20 70 CEIDLN CC(C)(C)SCC(=O)NOCc1cccnc1 ZINC000160773080 367032706 /nfs/dbraw/zinc/03/27/06/367032706.db2.gz BDAKGZLSNPUVCY-UHFFFAOYSA-N 0 2 254.355 2.161 20 70 CEIDLN CCCCc1cc(NS(=O)(=O)c2c(C)noc2C)[nH]n1 ZINC000159956756 366962441 /nfs/dbraw/zinc/96/24/41/366962441.db2.gz KCZIDHRALKBIHE-UHFFFAOYSA-N 0 2 298.368 2.158 20 70 CEIDLN Cc1n[nH]c(NS(=O)(=O)c2cccc(F)c2C)c1C ZINC000160480132 367009214 /nfs/dbraw/zinc/00/92/14/367009214.db2.gz ODECIAWCIWYLEA-UHFFFAOYSA-N 0 2 283.328 2.275 20 70 CEIDLN Cc1[nH]nc(NS(=O)(=O)c2cccc(F)c2C)c1C ZINC000160480132 367009221 /nfs/dbraw/zinc/00/92/21/367009221.db2.gz ODECIAWCIWYLEA-UHFFFAOYSA-N 0 2 283.328 2.275 20 70 CEIDLN Cc1cc(S(=O)(=O)Nc2nncs2)cc(C)c1F ZINC000160588305 367021280 /nfs/dbraw/zinc/02/12/80/367021280.db2.gz PSEDPWRPVKQEGN-UHFFFAOYSA-N 0 2 287.341 2.095 20 70 CEIDLN O=C(NOCc1cccnc1)C1(c2ccccc2)CC1 ZINC000160733946 367030311 /nfs/dbraw/zinc/03/03/11/367030311.db2.gz NSTLMTPVVRNHDG-UHFFFAOYSA-N 0 2 268.316 2.361 20 70 CEIDLN Cc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000160575554 367019322 /nfs/dbraw/zinc/01/93/22/367019322.db2.gz VIAXQCYDOIDGLB-UHFFFAOYSA-N 0 2 289.769 2.301 20 70 CEIDLN CCc1cccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c1 ZINC000160493381 367011375 /nfs/dbraw/zinc/01/13/75/367011375.db2.gz QIMRVWMNHSMCOL-UHFFFAOYSA-N 0 2 279.365 2.390 20 70 CEIDLN CCc1cccc(S(=O)(=O)Nc2n[nH]c(C)c2C)c1 ZINC000160493381 367011377 /nfs/dbraw/zinc/01/13/77/367011377.db2.gz QIMRVWMNHSMCOL-UHFFFAOYSA-N 0 2 279.365 2.390 20 70 CEIDLN C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1Cl ZINC000161453411 367087577 /nfs/dbraw/zinc/08/75/77/367087577.db2.gz GBMVQDZQDNJFOE-SNVBAGLBSA-N 0 2 253.777 2.480 20 70 CEIDLN CCc1cccc(S(=O)(=O)Nc2cc(C)n(C)n2)c1 ZINC000161505836 367092811 /nfs/dbraw/zinc/09/28/11/367092811.db2.gz VQFYMXCPTMKEFL-UHFFFAOYSA-N 0 2 279.365 2.092 20 70 CEIDLN Cc1nnc([C@H](C)ONC(=O)C(C)(C)c2ccccc2)o1 ZINC000160813891 367035414 /nfs/dbraw/zinc/03/54/14/367035414.db2.gz DVLONMQBMVEIAO-JTQLQIEISA-N 0 2 289.335 2.465 20 70 CEIDLN CCc1ccc(S(=O)(=O)Nc2cc(C)n(C)n2)cc1 ZINC000161509393 367091873 /nfs/dbraw/zinc/09/18/73/367091873.db2.gz KADFKGZFZXQUSF-UHFFFAOYSA-N 0 2 279.365 2.092 20 70 CEIDLN Cc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccsc2)o1 ZINC000159956677 366962228 /nfs/dbraw/zinc/96/22/28/366962228.db2.gz ZCWWDUQLZDGDKH-SNAWJCMRSA-N 0 2 297.357 2.168 20 70 CEIDLN Cc1n[nH]c(NS(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000160495078 367011050 /nfs/dbraw/zinc/01/10/50/367011050.db2.gz ZRYGITWOHCPTQQ-UHFFFAOYSA-N 0 2 283.328 2.275 20 70 CEIDLN Cc1[nH]nc(NS(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000160495078 367011055 /nfs/dbraw/zinc/01/10/55/367011055.db2.gz ZRYGITWOHCPTQQ-UHFFFAOYSA-N 0 2 283.328 2.275 20 70 CEIDLN COc1cc(CCC(=O)Nc2nc(C)n[nH]2)ccc1Cl ZINC000159519128 533755236 /nfs/dbraw/zinc/75/52/36/533755236.db2.gz QMBAPPBFJCATOK-UHFFFAOYSA-N 0 2 294.742 2.346 20 70 CEIDLN O=C(NCCc1ccco1)c1cc(F)c(F)c(O)c1F ZINC000159898071 312635009 /nfs/dbraw/zinc/63/50/09/312635009.db2.gz LBPIGUOKSJOQRH-UHFFFAOYSA-N 0 2 285.221 2.375 20 70 CEIDLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@]2(CCOC2)C1 ZINC000159432128 366911924 /nfs/dbraw/zinc/91/19/24/366911924.db2.gz SPEYJICACFOJPA-AWEZNQCLSA-N 0 2 299.729 2.437 20 70 CEIDLN C[C@@H](CO)CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000159580909 366928479 /nfs/dbraw/zinc/92/84/79/366928479.db2.gz CCUHHQOSUWQQAU-ZCFIWIBFSA-N 0 2 278.135 2.057 20 70 CEIDLN CSc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000160578591 540620249 /nfs/dbraw/zinc/62/02/49/540620249.db2.gz JZEDOSUVQVRHAA-UHFFFAOYSA-N 0 2 287.391 2.061 20 70 CEIDLN C[C@H](CO)CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000159580763 366928866 /nfs/dbraw/zinc/92/88/66/366928866.db2.gz CCUHHQOSUWQQAU-LURJTMIESA-N 0 2 278.135 2.057 20 70 CEIDLN O=c1nc(Cn2cnc3ccccc32)[nH]c2ccsc21 ZINC000160819159 232252978 /nfs/dbraw/zinc/25/29/78/232252978.db2.gz FUFZQMTVZBPPIA-UHFFFAOYSA-N 0 2 282.328 2.383 20 70 CEIDLN CCc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1CC ZINC000160000830 366965899 /nfs/dbraw/zinc/96/58/99/366965899.db2.gz DOBPXGNNJJCXHT-UHFFFAOYSA-N 0 2 293.392 2.346 20 70 CEIDLN Cc1nnc([C@@H](C)ONC(=O)C(C)(C)c2ccccc2)o1 ZINC000160813780 367035376 /nfs/dbraw/zinc/03/53/76/367035376.db2.gz DVLONMQBMVEIAO-SNVBAGLBSA-N 0 2 289.335 2.465 20 70 CEIDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1 ZINC000161294150 367075672 /nfs/dbraw/zinc/07/56/72/367075672.db2.gz SQAWKJWTMSJVJU-UHFFFAOYSA-N 0 2 299.327 2.138 20 70 CEIDLN COc1ccsc1S(=O)(=O)Nc1cnccc1C ZINC000159817389 366951981 /nfs/dbraw/zinc/95/19/81/366951981.db2.gz GSMXWHSHAWQYJY-UHFFFAOYSA-N 0 2 284.362 2.261 20 70 CEIDLN CO[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1O ZINC000160574687 367017938 /nfs/dbraw/zinc/01/79/38/367017938.db2.gz ABPQGHFGUQZKRX-GHMZBOCLSA-N 0 2 287.718 2.482 20 70 CEIDLN C[C@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000159983334 232249018 /nfs/dbraw/zinc/24/90/18/232249018.db2.gz RWBFDNRBGYTIPR-UWVGGRQHSA-N 0 2 287.406 2.379 20 70 CEIDLN C[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000159983471 533725644 /nfs/dbraw/zinc/72/56/44/533725644.db2.gz RWBFDNRBGYTIPR-NXEZZACHSA-N 0 2 287.406 2.379 20 70 CEIDLN CC[C@H](C)c1cc(C(=O)Nc2nc(C)no2)on1 ZINC000161251635 522035973 /nfs/dbraw/zinc/03/59/73/522035973.db2.gz CZONFWYYPFCZTH-LURJTMIESA-N 0 2 250.258 2.132 20 70 CEIDLN O=C(NCCc1cccc(O)c1)c1c(O)cc(F)cc1F ZINC000160221128 344457829 /nfs/dbraw/zinc/45/78/29/344457829.db2.gz WJSXFHUGLODLEE-UHFFFAOYSA-N 0 2 293.269 2.349 20 70 CEIDLN CCc1nc(CC(=O)N(C)Cc2cccn2C)cs1 ZINC000160795802 522249492 /nfs/dbraw/zinc/24/94/92/522249492.db2.gz PLJMJDASFDINKH-UHFFFAOYSA-N 0 2 277.393 2.245 20 70 CEIDLN COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c(C)c1 ZINC000160476100 344458925 /nfs/dbraw/zinc/45/89/25/344458925.db2.gz CTHNYBGKIYYNLR-UHFFFAOYSA-N 0 2 295.364 2.144 20 70 CEIDLN COc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)c1 ZINC000160476100 344458928 /nfs/dbraw/zinc/45/89/28/344458928.db2.gz CTHNYBGKIYYNLR-UHFFFAOYSA-N 0 2 295.364 2.144 20 70 CEIDLN COc1ccsc1S(=O)(=O)Nc1nccs1 ZINC000159473835 366917043 /nfs/dbraw/zinc/91/70/43/366917043.db2.gz YIZRKSWWJYIZOK-UHFFFAOYSA-N 0 2 276.364 2.014 20 70 CEIDLN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cl)cc2O)n[nH]1 ZINC000161486589 367090438 /nfs/dbraw/zinc/09/04/38/367090438.db2.gz QJCIEWDYTSCQEH-MRVPVSSYSA-N 0 2 293.754 2.438 20 70 CEIDLN C[C@@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000159983206 533818005 /nfs/dbraw/zinc/81/80/05/533818005.db2.gz RWBFDNRBGYTIPR-ZJUUUORDSA-N 0 2 287.406 2.379 20 70 CEIDLN Cc1cc(S(=O)(=O)Nc2nncs2)c(C)s1 ZINC000160571843 367017814 /nfs/dbraw/zinc/01/78/14/367017814.db2.gz VMCHQDKOWQKRFJ-UHFFFAOYSA-N 0 2 275.380 2.017 20 70 CEIDLN O=S(=O)(Nc1nncs1)c1ccc2c(c1)CCCC2 ZINC000160583014 367019717 /nfs/dbraw/zinc/01/97/17/367019717.db2.gz KLTFYCHPGXJIAH-UHFFFAOYSA-N 0 2 295.389 2.218 20 70 CEIDLN COc1ccc(NS(=O)(=O)c2ccccc2F)c(C)n1 ZINC000160679321 367026935 /nfs/dbraw/zinc/02/69/35/367026935.db2.gz YIPOXWLLHINIIJ-UHFFFAOYSA-N 0 2 296.323 2.339 20 70 CEIDLN C[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000159983565 232249193 /nfs/dbraw/zinc/24/91/93/232249193.db2.gz RWBFDNRBGYTIPR-VHSXEESVSA-N 0 2 287.406 2.379 20 70 CEIDLN Cc1cc(C[C@H](C)NC(=O)c2c(O)cc(F)cc2F)[nH]n1 ZINC000161400415 540816583 /nfs/dbraw/zinc/81/65/83/540816583.db2.gz SMWMXJCRWSFIAQ-ZETCQYMHSA-N 0 2 295.289 2.063 20 70 CEIDLN Cc1cc(C[C@H](C)NC(=O)c2ccc(Cl)cc2O)n[nH]1 ZINC000161486772 367090335 /nfs/dbraw/zinc/09/03/35/367090335.db2.gz QJCIEWDYTSCQEH-QMMMGPOBSA-N 0 2 293.754 2.438 20 70 CEIDLN COc1ccsc1S(=O)(=O)Nc1nc(C)cs1 ZINC000159479378 297428880 /nfs/dbraw/zinc/42/88/80/297428880.db2.gz LKCLNEMYUVDDPU-UHFFFAOYSA-N 0 2 290.391 2.322 20 70 CEIDLN Cc1cc(C[C@@H](C)NC(=O)c2c(O)cc(F)cc2F)[nH]n1 ZINC000161400277 540816613 /nfs/dbraw/zinc/81/66/13/540816613.db2.gz SMWMXJCRWSFIAQ-SSDOTTSWSA-N 0 2 295.289 2.063 20 70 CEIDLN CC1(C)C(C(=O)NS(=O)(=O)c2ccsc2)C1(C)C ZINC000160065450 528869926 /nfs/dbraw/zinc/86/99/26/528869926.db2.gz LLSCDDQZPYTMGO-UHFFFAOYSA-N 0 2 287.406 2.235 20 70 CEIDLN CC[C@@H](C)c1cc(C(=O)Nc2nc(C)no2)on1 ZINC000161251505 522423917 /nfs/dbraw/zinc/42/39/17/522423917.db2.gz CZONFWYYPFCZTH-ZCFIWIBFSA-N 0 2 250.258 2.132 20 70 CEIDLN CC(C)n1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)cn1 ZINC000161308921 528576053 /nfs/dbraw/zinc/57/60/53/528576053.db2.gz SFRIUAVIOYWMDC-UHFFFAOYSA-N 0 2 299.327 2.110 20 70 CEIDLN