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-])[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)c2ccccc21 ZINC001594725955 957000406 /nfs/dbraw/zinc/00/04/06/957000406.db2.gz GWROKZTUVWGHGZ-ZFWWWQNUSA-N -1 0 397.811 3.041 20 70 GGIDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)c2ccccc21 ZINC001594725954 957000954 /nfs/dbraw/zinc/00/09/54/957000954.db2.gz GWROKZTUVWGHGZ-UKRRQHHQSA-N -1 0 397.811 3.041 20 70 GGIDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)c2ccccc21 ZINC001605742920 972384407 /nfs/dbraw/zinc/38/44/07/972384407.db2.gz FJUSRQBAXGHVCH-IUODEOHRSA-N -1 0 397.811 3.041 20 70 GGIDRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1Cl ZINC001605851325 972594966 /nfs/dbraw/zinc/59/49/66/972594966.db2.gz CILQDJKRZQUIRB-UHFFFAOYSA-N -1 0 375.736 3.088 20 70 GGIDRM CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(C(=O)[O-])c1 ZINC001591788169 975969204 /nfs/dbraw/zinc/96/92/04/975969204.db2.gz QRASPMIQAXCOFL-UHFFFAOYSA-N -1 0 381.381 3.083 20 70 GGIDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)F)cc1C ZINC001595360620 980753569 /nfs/dbraw/zinc/75/35/69/980753569.db2.gz KBVZTXRCUXVFLZ-QGZVFWFLSA-N -1 0 393.436 3.331 20 70 GGIDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1Cl ZINC001594789543 981839944 /nfs/dbraw/zinc/83/99/44/981839944.db2.gz BYMBBXQRHPVCOS-MRXNPFEDSA-N -1 0 391.848 3.104 20 70 GGIDRM CC(C)(C)c1nc(NC(=O)c2ccc(S(=O)(=O)F)cc2)sc1C(=O)[O-] ZINC001590544654 990176795 /nfs/dbraw/zinc/17/67/95/990176795.db2.gz JAMLWZABQDCGIA-UHFFFAOYSA-N -1 0 386.426 3.049 20 70 GGIDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(S(=O)(=O)F)cc1Cl ZINC001591313380 992277226 /nfs/dbraw/zinc/27/72/26/992277226.db2.gz ZRTHYCSPUAQQTA-UHFFFAOYSA-N -1 0 393.864 3.207 20 70 GGIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000159506573 565207729 /nfs/dbraw/zinc/20/77/29/565207729.db2.gz VSUSRDXQCZMWAU-UHFFFAOYSA-N -1 0 388.536 3.035 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000159803214 565218855 /nfs/dbraw/zinc/21/88/55/565218855.db2.gz MOGWPSJAXLSOLK-UHFFFAOYSA-N -1 0 385.467 3.139 20 70 GGIDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1C ZINC000159920315 565223545 /nfs/dbraw/zinc/22/35/45/565223545.db2.gz AMTRXBRDNNSQBI-UHFFFAOYSA-N -1 0 394.503 3.334 20 70 GGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)n[nH]1 ZINC000159940753 565225200 /nfs/dbraw/zinc/22/52/00/565225200.db2.gz ABDYCLXVSIEBDH-UHFFFAOYSA-N -1 0 376.251 3.455 20 70 GGIDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2c(C)noc2C)s1)c1ccccc1 ZINC000160029090 565227296 /nfs/dbraw/zinc/22/72/96/565227296.db2.gz XBTCMVAARMMHRQ-CYBMUJFWSA-N -1 0 378.479 3.486 20 70 GGIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3ccc(C)s3)s2)c1 ZINC000160065910 565229155 /nfs/dbraw/zinc/22/91/55/565229155.db2.gz GKRDEWFALXKWKS-UHFFFAOYSA-N -1 0 381.504 3.308 20 70 GGIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3ccccc3C)s2)c1 ZINC000160082255 565230164 /nfs/dbraw/zinc/23/01/64/565230164.db2.gz IDHCLRQQFCRUMX-UHFFFAOYSA-N -1 0 375.475 3.247 20 70 GGIDRM Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3cnn(C(C)C)c3)s2)cc1 ZINC000160112829 565231088 /nfs/dbraw/zinc/23/10/88/565231088.db2.gz RVEYPVNHCWHVDI-UHFFFAOYSA-N -1 0 377.495 3.016 20 70 GGIDRM COc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cc1 ZINC000160108477 565231336 /nfs/dbraw/zinc/23/13/36/565231336.db2.gz RSOPRRAGDJRLFG-UHFFFAOYSA-N -1 0 375.475 3.247 20 70 GGIDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccn(CC(F)(F)F)n3)cc(Cl)c2O1 ZINC000160209585 565234887 /nfs/dbraw/zinc/23/48/87/565234887.db2.gz BZIAXAMEVRBMJY-QMMMGPOBSA-N -1 0 395.790 3.223 20 70 GGIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1ccccc1OC(F)(F)F ZINC000160215645 565236434 /nfs/dbraw/zinc/23/64/34/565236434.db2.gz DAGHXPZNMXTODT-UHFFFAOYSA-N -1 0 389.277 3.145 20 70 GGIDRM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000160239928 565237825 /nfs/dbraw/zinc/23/78/25/565237825.db2.gz XFKRFOQWQYKZKJ-UHFFFAOYSA-N -1 0 394.241 3.381 20 70 GGIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cccc(Br)c1 ZINC000160277521 565238483 /nfs/dbraw/zinc/23/84/83/565238483.db2.gz UCMZWMKRJXITFL-UHFFFAOYSA-N -1 0 384.177 3.009 20 70 GGIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1ccccc1Br ZINC000160277800 565238586 /nfs/dbraw/zinc/23/85/86/565238586.db2.gz XIAPVSNFAACFOG-UHFFFAOYSA-N -1 0 384.177 3.009 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)s1 ZINC000160386364 565243167 /nfs/dbraw/zinc/24/31/67/565243167.db2.gz DIAPXMOFNXNGGC-UHFFFAOYSA-N -1 0 376.507 3.486 20 70 GGIDRM O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)c1c(F)cccc1F ZINC000160444392 565245133 /nfs/dbraw/zinc/24/51/33/565245133.db2.gz OPFIJCWUSGBZJR-UHFFFAOYSA-N -1 0 382.417 3.176 20 70 GGIDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(SCc3ccccc3)n[nH]2)c1 ZINC000160443677 565245411 /nfs/dbraw/zinc/24/54/11/565245411.db2.gz GWJVZPXYWOLUNQ-UHFFFAOYSA-N -1 0 378.454 3.345 20 70 GGIDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c(Br)c1 ZINC000160469950 565247156 /nfs/dbraw/zinc/24/71/56/565247156.db2.gz ZJZYWPJTMBJAPS-UHFFFAOYSA-N -1 0 384.227 3.347 20 70 GGIDRM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nn1 ZINC000160549173 565248864 /nfs/dbraw/zinc/24/88/64/565248864.db2.gz GDDOCCIDTPJRFI-UHFFFAOYSA-N -1 0 377.495 3.131 20 70 GGIDRM CC(C)(C)c1cnc(S([O-])=CC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000160586188 565251336 /nfs/dbraw/zinc/25/13/36/565251336.db2.gz YXLJMLGKRDHXND-ZJWNCGCPSA-N -1 0 378.519 3.188 20 70 GGIDRM CC(C)(C)c1cnc(S([O-])=CC(=O)NCC2(c3ccccc3)CC2)s1 ZINC000160613522 565252807 /nfs/dbraw/zinc/25/28/07/565252807.db2.gz ZFTJKPFQHNDNPO-RUZDIDTESA-N -1 0 376.547 3.396 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000160858449 565262348 /nfs/dbraw/zinc/26/23/48/565262348.db2.gz HYCSRLGTAVFQMW-CQSZACIVSA-N -1 0 380.491 3.140 20 70 GGIDRM O=S(=O)([N-]c1nccc2sccc21)c1ccc(OCC(F)(F)F)nc1 ZINC000160924310 565264568 /nfs/dbraw/zinc/26/45/68/565264568.db2.gz XDYUETXRJNZCBX-UHFFFAOYSA-N -1 0 389.380 3.433 20 70 GGIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000161009786 565268966 /nfs/dbraw/zinc/26/89/66/565268966.db2.gz INCAILBDAGTIRD-UHFFFAOYSA-N -1 0 381.429 3.349 20 70 GGIDRM O=S(=O)([N-]c1ccccc1O[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000161045174 565270244 /nfs/dbraw/zinc/27/02/44/565270244.db2.gz AKBDEUCRHLUOQQ-ZDUSSCGKSA-N -1 0 398.278 3.418 20 70 GGIDRM COC(=O)c1coc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c1 ZINC000161110928 565273862 /nfs/dbraw/zinc/27/38/62/565273862.db2.gz DSKSUJSAQUDPDS-UHFFFAOYSA-N -1 0 394.630 3.283 20 70 GGIDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)o1 ZINC000161113584 565274019 /nfs/dbraw/zinc/27/40/19/565274019.db2.gz TUKCCLZLFKVEIT-UHFFFAOYSA-N -1 0 394.630 3.283 20 70 GGIDRM CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000161216422 565277808 /nfs/dbraw/zinc/27/78/08/565277808.db2.gz PMSYEUVBCGIKRL-UHFFFAOYSA-N -1 0 382.507 3.215 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)s1 ZINC000161309494 565280233 /nfs/dbraw/zinc/28/02/33/565280233.db2.gz YTOZTVYIVZZBCD-UHFFFAOYSA-N -1 0 387.548 3.391 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)s1 ZINC000161436289 565283707 /nfs/dbraw/zinc/28/37/07/565283707.db2.gz WHVSCXJGRWREML-UHFFFAOYSA-N -1 0 381.523 3.134 20 70 GGIDRM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)cc2C1=O ZINC000161485449 565285490 /nfs/dbraw/zinc/28/54/90/565285490.db2.gz NHAYDYKLTASAKL-UHFFFAOYSA-N -1 0 378.519 3.475 20 70 GGIDRM CC(C)(C)CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(=O)[O-] ZINC001588647061 959743948 /nfs/dbraw/zinc/74/39/48/959743948.db2.gz BKVYPBCWPKYLOI-GFCCVEGCSA-N -1 0 379.837 3.008 20 70 GGIDRM CC(C)(C)CC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)C(=O)[O-] ZINC001588649432 959752274 /nfs/dbraw/zinc/75/22/74/959752274.db2.gz UFDCTQMBELEMMV-LBPRGKRZSA-N -1 0 379.837 3.008 20 70 GGIDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(S(=O)(=O)F)ccc1Cl ZINC001594792248 981860198 /nfs/dbraw/zinc/86/01/98/981860198.db2.gz MTEYYEXHJMTZHM-MRXNPFEDSA-N -1 0 391.848 3.104 20 70 GGIDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)cc1 ZINC001589641329 987563756 /nfs/dbraw/zinc/56/37/56/987563756.db2.gz QXCGZMUQOPDSMS-UHFFFAOYSA-N -1 0 396.396 3.500 20 70 GGIDRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 ZINC001597452261 987847308 /nfs/dbraw/zinc/84/73/08/987847308.db2.gz OLYGABNBHNHBEA-UHFFFAOYSA-N -1 0 379.409 3.177 20 70 GGIDRM CC1(C)CCC[C@@](NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)(C(=O)[O-])C1 ZINC001593892768 996743432 /nfs/dbraw/zinc/74/34/32/996743432.db2.gz RPCQSVCCHLXNFR-INIZCTEOSA-N -1 0 391.848 3.152 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1c2c(nn1-c1ccccc1)CCC2 ZINC000159541890 565208951 /nfs/dbraw/zinc/20/89/51/565208951.db2.gz FYQCWNZARJYBKM-UHFFFAOYSA-N -1 0 375.475 3.232 20 70 GGIDRM CC(C)n1nccc1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000159583592 565211237 /nfs/dbraw/zinc/21/12/37/565211237.db2.gz AKMLXKKAEXPPGD-UHFFFAOYSA-N -1 0 387.303 3.093 20 70 GGIDRM Cc1nnc(NC(=O)c2cc(Br)c([O-])c(Br)c2)s1 ZINC000159613102 565213046 /nfs/dbraw/zinc/21/30/46/565213046.db2.gz OXBZWGMBWIRONX-UHFFFAOYSA-N -1 0 393.060 3.329 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000159803355 565219029 /nfs/dbraw/zinc/21/90/29/565219029.db2.gz ZVMGPZGAASCZFS-UHFFFAOYSA-N -1 0 385.467 3.139 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000159803650 565219217 /nfs/dbraw/zinc/21/92/17/565219217.db2.gz ZODWCZSVMYDLFT-UHFFFAOYSA-N -1 0 385.467 3.139 20 70 GGIDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(-c4ccsc4)s3)ccc2O1 ZINC000159919624 565223968 /nfs/dbraw/zinc/22/39/68/565223968.db2.gz LSGPSECLAZXPAJ-VIFPVBQESA-N -1 0 379.488 3.391 20 70 GGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)n[nH]1 ZINC000159953836 565225479 /nfs/dbraw/zinc/22/54/79/565225479.db2.gz OVTSMTCGVFARLZ-UHFFFAOYSA-N -1 0 388.287 3.324 20 70 GGIDRM CCCCc1cc([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)n[nH]1 ZINC000159938735 565225527 /nfs/dbraw/zinc/22/55/27/565225527.db2.gz DPEJJXSGNMZKMO-UHFFFAOYSA-N -1 0 388.852 3.304 20 70 GGIDRM CC[C@H](C)[C@@H](O)CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160034000 565228939 /nfs/dbraw/zinc/22/89/39/565228939.db2.gz HUHGVOOSRMGTFV-CPCISQLKSA-N -1 0 395.091 3.054 20 70 GGIDRM CCc1ccc(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)cc1CC ZINC000160094301 565229889 /nfs/dbraw/zinc/22/98/89/565229889.db2.gz KCAVRVTZDXWDTO-UHFFFAOYSA-N -1 0 381.519 3.157 20 70 GGIDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(Br)c1 ZINC000160266087 565239087 /nfs/dbraw/zinc/23/90/87/565239087.db2.gz ZLTXPFJUZBGUAA-UHFFFAOYSA-N -1 0 398.204 3.317 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cn2)s1 ZINC000160353427 565241319 /nfs/dbraw/zinc/24/13/19/565241319.db2.gz LVPYGNCNYPMVFP-UHFFFAOYSA-N -1 0 381.523 3.078 20 70 GGIDRM O=C(NCCc1ccco1)c1cc(Br)c([O-])c(Br)c1 ZINC000160549960 565250193 /nfs/dbraw/zinc/25/01/93/565250193.db2.gz IFIKSONNNHVAHW-UHFFFAOYSA-N -1 0 389.043 3.483 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)cc1Br ZINC000160622954 565253317 /nfs/dbraw/zinc/25/33/17/565253317.db2.gz NJHXPDLDVZFYDG-UHFFFAOYSA-N -1 0 388.287 3.426 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1Br ZINC000160636234 565254439 /nfs/dbraw/zinc/25/44/39/565254439.db2.gz VVAYVIZVQRTJFL-UHFFFAOYSA-N -1 0 392.300 3.063 20 70 GGIDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Br)s2)c(C)n1 ZINC000160667950 565255311 /nfs/dbraw/zinc/25/53/11/565255311.db2.gz JDDOQEXHNYVJRV-UHFFFAOYSA-N -1 0 377.285 3.332 20 70 GGIDRM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(C)n1 ZINC000160669552 565256084 /nfs/dbraw/zinc/25/60/84/565256084.db2.gz FRQPDGSTCKTJOR-UHFFFAOYSA-N -1 0 375.219 3.101 20 70 GGIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1nc2cc3c(cc2s1)OCCO3 ZINC000160883773 565262689 /nfs/dbraw/zinc/26/26/89/565262689.db2.gz BQQOAFACIKAWIE-UHFFFAOYSA-N -1 0 380.422 3.149 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)c1oc2ccccc2c1C ZINC000160887896 565262792 /nfs/dbraw/zinc/26/27/92/565262792.db2.gz ZKGMQRALGXEQLV-JTQLQIEISA-N -1 0 380.447 3.024 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C(N)=O)s2)cs1 ZINC000160895714 565263037 /nfs/dbraw/zinc/26/30/37/565263037.db2.gz UYJXSQNNKLOPBY-UHFFFAOYSA-N -1 0 379.488 3.080 20 70 GGIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000160940946 565265107 /nfs/dbraw/zinc/26/51/07/565265107.db2.gz UHNORTXBRGSKOI-UHFFFAOYSA-N -1 0 395.279 3.008 20 70 GGIDRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000160954703 565265228 /nfs/dbraw/zinc/26/52/28/565265228.db2.gz HPCVXTZZDUCHTP-CYBMUJFWSA-N -1 0 383.901 3.424 20 70 GGIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000160951005 565265649 /nfs/dbraw/zinc/26/56/49/565265649.db2.gz VUOGVDJELWITGI-UHFFFAOYSA-N -1 0 384.380 3.264 20 70 GGIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000161010587 565269122 /nfs/dbraw/zinc/26/91/22/565269122.db2.gz RCETVMDUDMUQSI-UHFFFAOYSA-N -1 0 381.429 3.349 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)c2ccccc21 ZINC000161013823 565269256 /nfs/dbraw/zinc/26/92/56/565269256.db2.gz GXXFIAYNVFTTIS-CYBMUJFWSA-N -1 0 380.491 3.021 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)s1 ZINC000161153198 565275517 /nfs/dbraw/zinc/27/55/17/565275517.db2.gz YZULFKNOCZUPCT-UHFFFAOYSA-N -1 0 391.511 3.389 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)s1 ZINC000161309764 565280092 /nfs/dbraw/zinc/28/00/92/565280092.db2.gz WWLUROOOSDKNEW-UHFFFAOYSA-N -1 0 387.548 3.391 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000161506109 565286823 /nfs/dbraw/zinc/28/68/23/565286823.db2.gz VTJFLTRNOVYTCT-SSDOTTSWSA-N -1 0 395.289 3.276 20 70 GGIDRM CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000217084363 565897312 /nfs/dbraw/zinc/89/73/12/565897312.db2.gz ABAXVLDAUKDGSR-UHFFFAOYSA-N -1 0 375.233 3.323 20 70 GGIDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)c2ccccc21 ZINC001594725952 957001346 /nfs/dbraw/zinc/00/13/46/957001346.db2.gz GWROKZTUVWGHGZ-DZGCQCFKSA-N -1 0 397.811 3.041 20 70 GGIDRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)F)cc1Cl ZINC001574804601 957850863 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CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2OCCC(N)=O)s1 ZINC000161219445 565277475 /nfs/dbraw/zinc/27/74/75/565277475.db2.gz WHGJHBYDWBOSBC-UHFFFAOYSA-N -1 0 382.507 3.101 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)s1 ZINC000161241227 565277654 /nfs/dbraw/zinc/27/76/54/565277654.db2.gz MGHAKPRSLKNITO-UHFFFAOYSA-N -1 0 376.507 3.486 20 70 GGIDRM O=C([O-])CCc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2Cl)c1 ZINC001595064133 951533857 /nfs/dbraw/zinc/53/38/57/951533857.db2.gz BRBASOZLUIMQEH-UHFFFAOYSA-N -1 0 385.800 3.268 20 70 GGIDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1Cl ZINC001594789542 981840341 /nfs/dbraw/zinc/84/03/41/981840341.db2.gz BYMBBXQRHPVCOS-INIZCTEOSA-N -1 0 391.848 3.104 20 70 GGIDRM COc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccc1S(=O)(=O)F ZINC001599356714 998191515 /nfs/dbraw/zinc/19/15/15/998191515.db2.gz SSXHBAWNQSBFKZ-UHFFFAOYSA-N -1 0 399.421 3.243 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000159521068 565209271 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CC[C@@H](c1nnc([N-]S(=O)(=O)c2cnn(CC)c2)s1)c1ccccc1 ZINC000160036360 565228970 /nfs/dbraw/zinc/22/89/70/565228970.db2.gz BZKUZMAMOCLXII-CQSZACIVSA-N -1 0 377.495 3.097 20 70 GGIDRM CC[C@H](C)[C@H](O)CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160033739 565229225 /nfs/dbraw/zinc/22/92/25/565229225.db2.gz HUHGVOOSRMGTFV-WRWORJQWSA-N -1 0 395.091 3.054 20 70 GGIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3cccc(F)c3)s2)c1 ZINC000160072714 565230374 /nfs/dbraw/zinc/23/03/74/565230374.db2.gz MUGOFGOLTSGGTD-UHFFFAOYSA-N -1 0 379.438 3.077 20 70 GGIDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160229152 565236586 /nfs/dbraw/zinc/23/65/86/565236586.db2.gz GPZHADAVXGPZPS-UHFFFAOYSA-N -1 0 398.204 3.317 20 70 GGIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cccc(OC(F)(F)F)c1 ZINC000160282255 565239167 /nfs/dbraw/zinc/23/91/67/565239167.db2.gz PHFIMBOSUJPOIC-UHFFFAOYSA-N -1 0 389.277 3.145 20 70 GGIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1n[nH]c(SCc2ccccc2)n1 ZINC000160422396 565244464 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COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000160793918 565259735 /nfs/dbraw/zinc/25/97/35/565259735.db2.gz BIRRQGDCUICGJK-SSDOTTSWSA-N -1 0 395.289 3.276 20 70 GGIDRM CCC(CC)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1cccs1 ZINC000160876152 565263218 /nfs/dbraw/zinc/26/32/18/565263218.db2.gz VFALYSARXSECLU-GFCCVEGCSA-N -1 0 388.536 3.447 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)c1oc2ccccc2c1C ZINC000160887754 565263351 /nfs/dbraw/zinc/26/33/51/565263351.db2.gz ZKGMQRALGXEQLV-SNVBAGLBSA-N -1 0 380.447 3.024 20 70 GGIDRM Cc1ccc(S(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)c(Br)c1 ZINC000160952426 565265318 /nfs/dbraw/zinc/26/53/18/565265318.db2.gz QIVYKTRNEUOCFI-UHFFFAOYSA-N -1 0 391.316 3.177 20 70 GGIDRM Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)o1 ZINC000160930306 565265535 /nfs/dbraw/zinc/26/55/35/565265535.db2.gz CBTQJXWHFMLADP-UHFFFAOYSA-N -1 0 383.626 3.017 20 70 GGIDRM Cc1cc(S(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)sc1Br ZINC000160937639 565265645 /nfs/dbraw/zinc/26/56/45/565265645.db2.gz 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ZINC000160550393 565250571 /nfs/dbraw/zinc/25/05/71/565250571.db2.gz ISCNJJZJGNVJFV-UHFFFAOYSA-N -1 0 388.536 3.409 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1Br ZINC000160621981 565253226 /nfs/dbraw/zinc/25/32/26/565253226.db2.gz XEKHTVHATOYKLM-UHFFFAOYSA-N -1 0 377.285 3.414 20 70 GGIDRM O=C(NCc1ccncc1)c1cc(Br)c([O-])c(Br)c1 ZINC000160739899 565257755 /nfs/dbraw/zinc/25/77/55/565257755.db2.gz VFLRMIWREPANNV-UHFFFAOYSA-N -1 0 386.043 3.242 20 70 GGIDRM O=C(NCc1cccnc1)c1cc(Br)c([O-])c(Br)c1 ZINC000160741414 565258291 /nfs/dbraw/zinc/25/82/91/565258291.db2.gz XLCPBOVVWCZCAS-UHFFFAOYSA-N -1 0 386.043 3.242 20 70 GGIDRM CCOCCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160851649 565262094 /nfs/dbraw/zinc/26/20/94/565262094.db2.gz XNWOHTCRXPZKBG-UHFFFAOYSA-N -1 0 381.064 3.074 20 70 GGIDRM CC(=O)Nc1ccc2nc([N-]S(=O)(=O)Cc3cccc(F)c3)sc2c1 ZINC000160893439 565262921 /nfs/dbraw/zinc/26/29/21/565262921.db2.gz CJKVIMWDMQLDCH-UHFFFAOYSA-N -1 0 379.438 3.336 20 70 GGIDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2nccc3sccc32)c(F)c1 ZINC000160928877 565264190 /nfs/dbraw/zinc/26/41/90/565264190.db2.gz RBEXJMRPOYHIMU-UHFFFAOYSA-N -1 0 383.401 3.334 20 70 GGIDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nnc(C(C)C)s3)cc2F)c1 ZINC000161009312 565268523 /nfs/dbraw/zinc/26/85/23/565268523.db2.gz YKTCHJZDTNONGY-UHFFFAOYSA-N -1 0 381.458 3.096 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1Br ZINC000161011144 565268908 /nfs/dbraw/zinc/26/89/08/565268908.db2.gz IDQCZFFHPQFSTB-UHFFFAOYSA-N -1 0 390.230 3.493 20 70 GGIDRM O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1ccccc1Br ZINC000161033623 565270274 /nfs/dbraw/zinc/27/02/74/565270274.db2.gz RIIXDNXTBPMTGC-GFCCVEGCSA-N -1 0 398.278 3.418 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)s1 ZINC000161204512 565276059 /nfs/dbraw/zinc/27/60/59/565276059.db2.gz WHIZMBFOAPYLKO-UHFFFAOYSA-N -1 0 382.507 3.101 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(N)=O)c3)s2)cs1 ZINC000161263752 565279052 /nfs/dbraw/zinc/27/90/52/565279052.db2.gz AXLAGOMRESPGNU-UHFFFAOYSA-N -1 0 379.488 3.080 20 70 GGIDRM CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000161341144 565281898 /nfs/dbraw/zinc/28/18/98/565281898.db2.gz ZXLDHEHPQNXIDA-UHFFFAOYSA-N -1 0 382.507 3.215 20 70 GGIDRM C[C@H]1CCC[C@@H](C(=O)Nc2nnc([N-]S(=O)(=O)c3ccccc3)s2)C1 ZINC000161410155 565284175 /nfs/dbraw/zinc/28/41/75/565284175.db2.gz CYBYLLVHTKOPSH-NWDGAFQWSA-N -1 0 380.495 3.104 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(NC(N)=O)cc3)s2)cs1 ZINC000161435659 565284256 /nfs/dbraw/zinc/28/42/56/565284256.db2.gz KXJMSTKFCLMOFK-UHFFFAOYSA-N -1 0 394.503 3.471 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(NC(N)=O)c3)s2)cs1 ZINC000161453078 565285405 /nfs/dbraw/zinc/28/54/05/565285405.db2.gz FBHODSXHXJEQFA-UHFFFAOYSA-N -1 0 394.503 3.471 20 70 GGIDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1 ZINC000217934882 565898523 /nfs/dbraw/zinc/89/85/23/565898523.db2.gz ZTCWHUXTKGWKJB-UHFFFAOYSA-N -1 0 380.491 3.390 20 70 GGIDRM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cc(-c2ccccn2)ccc1Cl ZINC000159518662 570709116 /nfs/dbraw/zinc/70/91/16/570709116.db2.gz OLQUMZNSYBKQQN-CQSZACIVSA-N -1 0 394.880 3.031 20 70 GGIDRM O=C([O-])c1c(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)sc2c1CCCC2 ZINC001601360782 970981529 /nfs/dbraw/zinc/98/15/29/970981529.db2.gz DQLYOUKXFDLFJC-UHFFFAOYSA-N -1 0 397.449 3.165 20 70 GGIDRM C[C@H]1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)F)c3)c2C(=O)[O-])C1 ZINC001589364650 954179085 /nfs/dbraw/zinc/17/90/85/954179085.db2.gz VWUHJUAQMLDSKJ-VIFPVBQESA-N -1 0 397.449 3.482 20 70 GGIDRM CC(C)(C)CC[C@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(=O)[O-] ZINC001588647066 959743576 /nfs/dbraw/zinc/74/35/76/959743576.db2.gz BKVYPBCWPKYLOI-LBPRGKRZSA-N -1 0 379.837 3.008 20 70 GGIDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1Cl)C(=O)[O-] ZINC001588649427 959751964 /nfs/dbraw/zinc/75/19/64/959751964.db2.gz UFDCTQMBELEMMV-GFCCVEGCSA-N -1 0 379.837 3.008 20 70 GGIDRM CC(C)Oc1ccc(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)c(C(=O)[O-])c1 ZINC001591786656 975959122 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20 70 GGIDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 ZINC000159506283 565208042 /nfs/dbraw/zinc/20/80/42/565208042.db2.gz CCCBVHCRXFRVKQ-UHFFFAOYSA-N -1 0 379.507 3.471 20 70 GGIDRM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1 ZINC000159641699 565213671 /nfs/dbraw/zinc/21/36/71/565213671.db2.gz NWWTVHZBAKPDBJ-UHFFFAOYSA-N -1 0 390.690 3.364 20 70 GGIDRM Cc1cc(C)c([N-]S(=O)(=O)c2ncn(C)c2Cl)c(Br)c1 ZINC000159649940 565213779 /nfs/dbraw/zinc/21/37/79/565213779.db2.gz IWOWUCGRYXYCCQ-UHFFFAOYSA-N -1 0 378.679 3.254 20 70 GGIDRM Cc1cc(CNC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1Cl ZINC000159661312 565214042 /nfs/dbraw/zinc/21/40/42/565214042.db2.gz YZVRLJGIVXWYBM-UHFFFAOYSA-N -1 0 376.869 3.288 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159694587 565214894 /nfs/dbraw/zinc/21/48/94/565214894.db2.gz IWTFWPOQNASKER-CHWSQXEVSA-N -1 0 382.507 3.171 20 70 GGIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)NC)c1 ZINC000159900835 565222371 /nfs/dbraw/zinc/22/23/71/565222371.db2.gz VAYIVGQFDZZPPT-UHFFFAOYSA-N -1 0 380.853 3.093 20 70 GGIDRM C[C@@H](O)CCN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000159920273 565224196 /nfs/dbraw/zinc/22/41/96/565224196.db2.gz MHVRQZIWZATNDJ-MRVPVSSYSA-N -1 0 392.670 3.381 20 70 GGIDRM O=C(NCC1(C2CC2)CC1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000159982132 565226260 /nfs/dbraw/zinc/22/62/60/565226260.db2.gz ISLMTEKEFBVISL-UHFFFAOYSA-N -1 0 376.503 3.469 20 70 GGIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3ccc(C)cc3)s2)c1 ZINC000160088401 565230112 /nfs/dbraw/zinc/23/01/12/565230112.db2.gz IBWFFSIVLFKTGI-UHFFFAOYSA-N -1 0 375.475 3.247 20 70 GGIDRM CCc1ccc(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1CC ZINC000160093872 565230461 /nfs/dbraw/zinc/23/04/61/565230461.db2.gz HGJDVFHXQZVQOV-UHFFFAOYSA-N -1 0 381.519 3.157 20 70 GGIDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(F)c1Cl ZINC000160146036 565232922 /nfs/dbraw/zinc/23/29/22/565232922.db2.gz VPYOSAIWZNRIDW-UHFFFAOYSA-N -1 0 378.828 3.045 20 70 GGIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)c1C ZINC000160170033 565234130 /nfs/dbraw/zinc/23/41/30/565234130.db2.gz JSHODDNOMYGTDH-UHFFFAOYSA-N -1 0 384.889 3.404 20 70 GGIDRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000160214945 565236726 /nfs/dbraw/zinc/23/67/26/565236726.db2.gz JUAUZTMHAMOAPK-UHFFFAOYSA-N -1 0 392.221 3.329 20 70 GGIDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)o1 ZINC000160371193 565243240 /nfs/dbraw/zinc/24/32/40/565243240.db2.gz QTJWXVTXGCRLJZ-UHFFFAOYSA-N -1 0 394.630 3.283 20 70 GGIDRM Cc1cccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c1Br ZINC000160476420 565246525 /nfs/dbraw/zinc/24/65/25/565246525.db2.gz GHDMKOJDOOMFEK-UHFFFAOYSA-N -1 0 384.227 3.347 20 70 GGIDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(C(F)F)s3)cc(Cl)c2O1 ZINC000160462746 565247106 /nfs/dbraw/zinc/24/71/06/565247106.db2.gz PGEOKPMVUPOVRJ-YFKPBYRVSA-N -1 0 381.813 3.253 20 70 GGIDRM C[C@@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C[C@H](C)O1 ZINC000160651193 565253793 /nfs/dbraw/zinc/25/37/93/565253793.db2.gz FKAUNQLZETYBSD-OCAPTIKFSA-N -1 0 393.075 3.167 20 70 GGIDRM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000160639834 565254411 /nfs/dbraw/zinc/25/44/11/565254411.db2.gz DAWACLGJMDSPLZ-UHFFFAOYSA-N -1 0 388.287 3.413 20 70 GGIDRM O=C(NCc1ccccn1)c1cc(Br)c([O-])c(Br)c1 ZINC000160737720 565257926 /nfs/dbraw/zinc/25/79/26/565257926.db2.gz FSRRIPFAOGOKMF-UHFFFAOYSA-N -1 0 386.043 3.242 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000160858322 565261676 /nfs/dbraw/zinc/26/16/76/565261676.db2.gz HYCSRLGTAVFQMW-AWEZNQCLSA-N -1 0 380.491 3.140 20 70 GGIDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000160864689 565262113 /nfs/dbraw/zinc/26/21/13/565262113.db2.gz BWVYNRJEELFTCM-UHFFFAOYSA-N -1 0 380.422 3.331 20 70 GGIDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nc(C4CC4)cs3)cc2F)c1 ZINC000160895659 565262807 /nfs/dbraw/zinc/26/28/07/565262807.db2.gz YTHHJDNXABESNH-UHFFFAOYSA-N -1 0 378.454 3.455 20 70 GGIDRM CSc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)nc1 ZINC000160922435 565264422 /nfs/dbraw/zinc/26/44/22/565264422.db2.gz FFXYVKVNXKANPJ-UHFFFAOYSA-N -1 0 378.454 3.238 20 70 GGIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000160935950 565265280 /nfs/dbraw/zinc/26/52/80/565265280.db2.gz VKFWKASHVIOIJY-UHFFFAOYSA-N -1 0 395.279 3.008 20 70 GGIDRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000160954842 565265610 /nfs/dbraw/zinc/26/56/10/565265610.db2.gz HPCVXTZZDUCHTP-ZDUSSCGKSA-N -1 0 383.901 3.424 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2OC)cc1Br ZINC000160979141 565266280 /nfs/dbraw/zinc/26/62/80/565266280.db2.gz RBXFRLGHABIHEN-UHFFFAOYSA-N -1 0 387.255 3.052 20 70 GGIDRM O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000161045065 565270515 /nfs/dbraw/zinc/27/05/15/565270515.db2.gz AKBDEUCRHLUOQQ-CYBMUJFWSA-N -1 0 398.278 3.418 20 70 GGIDRM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(F)ccc1OC(F)F ZINC000161106714 565273613 /nfs/dbraw/zinc/27/36/13/565273613.db2.gz VKUQPHDZENKYHF-UHFFFAOYSA-N -1 0 379.331 3.387 20 70 GGIDRM C[C@@H]1CCC[C@@H](C(=O)Nc2nnc([N-]S(=O)(=O)c3ccccc3)s2)C1 ZINC000161410029 565283572 /nfs/dbraw/zinc/28/35/72/565283572.db2.gz CYBYLLVHTKOPSH-VXGBXAGGSA-N -1 0 380.495 3.104 20 70 GGIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1Cl)C(C)C ZINC000161441157 565284199 /nfs/dbraw/zinc/28/41/99/565284199.db2.gz VGJLAWDDMXUHEJ-LBPRGKRZSA-N -1 0 388.898 3.259 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3C(=O)NC4)s2)cs1 ZINC000161475176 565285382 /nfs/dbraw/zinc/28/53/82/565285382.db2.gz JDPDEDDQXDOPGY-UHFFFAOYSA-N -1 0 391.499 3.224 20 70 GGIDRM O=C(NCCc1ccc(Br)s1)c1nn(-c2ccccc2)cc1[O-] ZINC000217990002 565898365 /nfs/dbraw/zinc/89/83/65/565898365.db2.gz HZGXBTBKSIMOKX-UHFFFAOYSA-N -1 0 392.278 3.374 20 70 GGIDRM O=C([O-])CCc1cccc(NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)c1 ZINC001595064177 951535216 /nfs/dbraw/zinc/53/52/16/951535216.db2.gz GCWZSDBZJVSXRL-UHFFFAOYSA-N -1 0 385.800 3.268 20 70 GGIDRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1Cl ZINC001594803959 953766072 /nfs/dbraw/zinc/76/60/72/953766072.db2.gz OYGUSROAGBKWGE-UHFFFAOYSA-N -1 0 375.736 3.088 20 70 GGIDRM CC(C)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)c(C(=O)[O-])c1 ZINC001591965922 976562170 /nfs/dbraw/zinc/56/21/70/976562170.db2.gz WKRIVASBDCCDEF-UHFFFAOYSA-N -1 0 379.409 3.348 20 70 GGIDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1 ZINC001599811723 988348469 /nfs/dbraw/zinc/34/84/69/988348469.db2.gz VYJVALYLGNKFHJ-OAHLLOKOSA-N -1 0 397.449 3.013 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1nc(CN2CCC[C@H](C)C2)cs1 ZINC000159521206 565209377 /nfs/dbraw/zinc/20/93/77/565209377.db2.gz FIDQAHSUCBFOQF-NSHDSACASA-N -1 0 387.552 3.246 20 70 GGIDRM Cc1csc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)n1 ZINC000159578454 565211492 /nfs/dbraw/zinc/21/14/92/565211492.db2.gz YJSBWDARKQTIFD-UHFFFAOYSA-N -1 0 376.301 3.081 20 70 GGIDRM CCc1cnc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000159627814 565213122 /nfs/dbraw/zinc/21/31/22/565213122.db2.gz SCNDXWDKMBXWBU-UHFFFAOYSA-N -1 0 390.328 3.335 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000159694343 565215145 /nfs/dbraw/zinc/21/51/45/565215145.db2.gz IWTFWPOQNASKER-BETUJISGSA-N -1 0 382.507 3.171 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000159694480 565215160 /nfs/dbraw/zinc/21/51/60/565215160.db2.gz IWTFWPOQNASKER-STQMWFEESA-N -1 0 382.507 3.171 20 70 GGIDRM CN(CCC1CC1)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000159720570 565216469 /nfs/dbraw/zinc/21/64/69/565216469.db2.gz KIUCVKJVIHSULR-UHFFFAOYSA-N -1 0 380.495 3.208 20 70 GGIDRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1-c1nncn1C(C)C ZINC000159816065 565219532 /nfs/dbraw/zinc/21/95/32/565219532.db2.gz SMAVTWOKIBMMNE-UHFFFAOYSA-N -1 0 378.479 3.397 20 70 GGIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000159942861 565224680 /nfs/dbraw/zinc/22/46/80/565224680.db2.gz VMIOBONFZVVMHI-UHFFFAOYSA-N -1 0 388.287 3.324 20 70 GGIDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2cnn(CC)c2)s1)c1ccccc1 ZINC000160036225 565229059 /nfs/dbraw/zinc/22/90/59/565229059.db2.gz BZKUZMAMOCLXII-AWEZNQCLSA-N -1 0 377.495 3.097 20 70 GGIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3ccccc3F)s2)c1 ZINC000160075915 565229859 /nfs/dbraw/zinc/22/98/59/565229859.db2.gz LMDOXUMIAJBLKJ-UHFFFAOYSA-N -1 0 379.438 3.077 20 70 GGIDRM CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1C ZINC000160138679 565232601 /nfs/dbraw/zinc/23/26/01/565232601.db2.gz UDTIFGSXQDYNLY-UHFFFAOYSA-N -1 0 385.873 3.232 20 70 GGIDRM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000160287884 565240123 /nfs/dbraw/zinc/24/01/23/565240123.db2.gz ZXHPMQIVSWTWNJ-UHFFFAOYSA-N -1 0 388.536 3.409 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)s1 ZINC000160335667 565241700 /nfs/dbraw/zinc/24/17/00/565241700.db2.gz IGBVIMPZGORFRK-UHFFFAOYSA-N -1 0 381.523 3.078 20 70 GGIDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n(-c2ncccn2)n1 ZINC000160414407 565243839 /nfs/dbraw/zinc/24/38/39/565243839.db2.gz ATZSDQJAJRBRBN-UHFFFAOYSA-N -1 0 377.495 3.131 20 70 GGIDRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)ccc1Br ZINC000160464980 565246540 /nfs/dbraw/zinc/24/65/40/565246540.db2.gz MSHMJIHSHJWCEZ-UHFFFAOYSA-N -1 0 384.227 3.347 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cn2)s1 ZINC000160559237 565250855 /nfs/dbraw/zinc/25/08/55/565250855.db2.gz DHYZWHMWVZWAGZ-UHFFFAOYSA-N -1 0 379.507 3.368 20 70 GGIDRM CC(C)(C)c1cnc(S([O-])=CC(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000160586005 565251400 /nfs/dbraw/zinc/25/14/00/565251400.db2.gz YXLJMLGKRDHXND-YMXBGEKHSA-N -1 0 378.519 3.188 20 70 GGIDRM CC(C)(C)c1cnc(S([O-])=CC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000160586308 565251994 /nfs/dbraw/zinc/25/19/94/565251994.db2.gz YXLJMLGKRDHXND-CANCMXDXSA-N -1 0 378.519 3.188 20 70 GGIDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1Br ZINC000160639961 565254090 /nfs/dbraw/zinc/25/40/90/565254090.db2.gz XKCOAPLTMMBCSN-UHFFFAOYSA-N -1 0 388.287 3.495 20 70 GGIDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)s2)cs1 ZINC000160883515 565263428 /nfs/dbraw/zinc/26/34/28/565263428.db2.gz NZYDQMVKWXYLRR-UHFFFAOYSA-N -1 0 379.488 3.080 20 70 GGIDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1nc(SC(C)C)n[nH]1 ZINC000160954710 565265209 /nfs/dbraw/zinc/26/52/09/565265209.db2.gz BHNHERZKRLPEIS-UHFFFAOYSA-N -1 0 397.345 3.238 20 70 GGIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000160938212 565265302 /nfs/dbraw/zinc/26/53/02/565265302.db2.gz IEJPZUINXOBOEW-UHFFFAOYSA-N -1 0 384.380 3.264 20 70 GGIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000161009914 565269359 /nfs/dbraw/zinc/26/93/59/565269359.db2.gz ULWQMJBAYYBWMO-UHFFFAOYSA-N -1 0 381.429 3.349 20 70 GGIDRM O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000161033352 565269718 /nfs/dbraw/zinc/26/97/18/565269718.db2.gz GIUZVKYKCIZBTC-CYBMUJFWSA-N -1 0 398.278 3.418 20 70 GGIDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1-n1cnnn1 ZINC000161152680 565275008 /nfs/dbraw/zinc/27/50/08/565275008.db2.gz UHECNHHVPSAHGI-UHFFFAOYSA-N -1 0 377.495 3.131 20 70 GGIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)s1 ZINC000161129634 565275064 /nfs/dbraw/zinc/27/50/64/565275064.db2.gz VOKSXCMDYUJXGP-UHFFFAOYSA-N -1 0 379.507 3.376 20 70 GGIDRM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000161196187 565276971 /nfs/dbraw/zinc/27/69/71/565276971.db2.gz ULOLAUGGORLGFZ-UHFFFAOYSA-N -1 0 377.495 3.131 20 70 GGIDRM C[C@@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)[C@@H](C)CO1 ZINC000161430441 565284319 /nfs/dbraw/zinc/28/43/19/565284319.db2.gz UPXUPMGVIKLVBE-JGVFFNPUSA-N -1 0 393.075 3.167 20 70 GGIDRM C[C@H]1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)[C@@H](C)CO1 ZINC000161430571 565284353 /nfs/dbraw/zinc/28/43/53/565284353.db2.gz UPXUPMGVIKLVBE-YUMQZZPRSA-N -1 0 393.075 3.167 20 70 GGIDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)nc1C ZINC000218220417 565898277 /nfs/dbraw/zinc/89/82/77/565898277.db2.gz HEWVFFDBYPRHFF-UHFFFAOYSA-N -1 0 378.679 3.428 20 70 GGIDRM