smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(NC(=O)Cc3cc(F)ccc3Br)n2)o1 ZINC000159367228 565203886 /nfs/dbraw/zinc/20/38/86/565203886.db2.gz QVKAHKOCFTURTD-UHFFFAOYSA-N 0 1 379.189 3.456 20 70 GGIDMN O=C(NCc1cc(Br)ccc1F)c1cccc(-c2nnc[nH]2)c1 ZINC000159628081 565212472 /nfs/dbraw/zinc/21/24/72/565212472.db2.gz NEYMOKROANEBSX-UHFFFAOYSA-N 0 1 375.201 3.303 20 70 GGIDMN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000159620855 565212558 /nfs/dbraw/zinc/21/25/58/565212558.db2.gz OTHDRMITODQJKH-RDTXWAMCSA-N 0 1 395.341 3.345 20 70 GGIDMN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000159620717 565212655 /nfs/dbraw/zinc/21/26/55/565212655.db2.gz OTHDRMITODQJKH-KSSFIOAISA-N 0 1 395.341 3.345 20 70 GGIDMN CN(CC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700123 565215055 /nfs/dbraw/zinc/21/50/55/565215055.db2.gz KRZFDEBCEBXFDC-LSDHHAIUSA-N 0 1 379.595 3.165 20 70 GGIDMN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(CC(N)=O)CC1 ZINC000159731406 565216254 /nfs/dbraw/zinc/21/62/54/565216254.db2.gz VJXDZYIWWXJSIU-UHFFFAOYSA-N 0 1 391.313 3.031 20 70 GGIDMN Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1Br ZINC000159920271 565223916 /nfs/dbraw/zinc/22/39/16/565223916.db2.gz SICQBGDTHCFDPD-UHFFFAOYSA-N 0 1 389.297 3.157 20 70 GGIDMN O=C(CCCCOc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159970303 565226436 /nfs/dbraw/zinc/22/64/36/565226436.db2.gz NBJXUQTZYSTZQI-IYBDPMFKSA-N 0 1 381.314 3.351 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3I)n2)o1 ZINC000160186507 565235453 /nfs/dbraw/zinc/23/54/53/565235453.db2.gz UGPVERNNQPBQGT-UHFFFAOYSA-N 0 1 394.172 3.230 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3n[nH]c(C(C)C)c3Br)n2)o1 ZINC000160194365 565235481 /nfs/dbraw/zinc/23/54/81/565235481.db2.gz YHPXPINSIXZGNQ-UHFFFAOYSA-N 0 1 379.218 3.234 20 70 GGIDMN Cc1sc2ncnc(SCCC(=O)N3C[C@H]4CCC[C@@H](C3)N4)c2c1C ZINC000160279429 565238340 /nfs/dbraw/zinc/23/83/40/565238340.db2.gz LDNKKNNAZKHMMV-OKILXGFUSA-N 0 1 376.551 3.143 20 70 GGIDMN COc1cccc(CCCN(C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000160343473 565241805 /nfs/dbraw/zinc/24/18/05/565241805.db2.gz WDRLHAJDZWTMIU-UHFFFAOYSA-N 0 1 392.297 3.356 20 70 GGIDMN COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1Br ZINC000160397845 565244258 /nfs/dbraw/zinc/24/42/58/565244258.db2.gz JHSJNLPJFARFFG-UHFFFAOYSA-N 0 1 377.198 3.397 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000160858449 565262352 /nfs/dbraw/zinc/26/23/52/565262352.db2.gz HYCSRLGTAVFQMW-CQSZACIVSA-N 0 1 380.491 3.140 20 70 GGIDMN CC(C)NC(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000160938481 565265792 /nfs/dbraw/zinc/26/57/92/565265792.db2.gz QUIUGRODGRLQJT-KRWDZBQOSA-N 0 1 376.298 3.242 20 70 GGIDMN COc1ccc(Br)c(CC(=O)Nc2cc(CN(C)C)ccn2)c1 ZINC000160976410 565266495 /nfs/dbraw/zinc/26/64/95/565266495.db2.gz QMDNEZWVFBZQFJ-UHFFFAOYSA-N 0 1 378.270 3.096 20 70 GGIDMN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000161045174 565270250 /nfs/dbraw/zinc/27/02/50/565270250.db2.gz AKBDEUCRHLUOQQ-ZDUSSCGKSA-N 0 1 398.278 3.418 20 70 GGIDMN COc1cc(OC)c(NC(=O)N2CCN3CCCC[C@H]3C2)cc1Br ZINC000161087576 565272618 /nfs/dbraw/zinc/27/26/18/565272618.db2.gz PYJWJZCXNQERTL-LBPRGKRZSA-N 0 1 398.301 3.168 20 70 GGIDMN COC(=O)c1coc(S(=O)(=O)Nc2cc(Cl)ccc2Br)c1 ZINC000161110928 565273869 /nfs/dbraw/zinc/27/38/69/565273869.db2.gz DSKSUJSAQUDPDS-UHFFFAOYSA-N 0 1 394.630 3.283 20 70 GGIDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)o1 ZINC000161113584 565274024 /nfs/dbraw/zinc/27/40/24/565274024.db2.gz TUKCCLZLFKVEIT-UHFFFAOYSA-N 0 1 394.630 3.283 20 70 GGIDMN O[C@H](C1CCN(CCOc2cccc(Br)c2)CC1)C(F)(F)F ZINC000161236425 565277761 /nfs/dbraw/zinc/27/77/61/565277761.db2.gz GWAHKZGPPIFXDG-CQSZACIVSA-N 0 1 382.220 3.463 20 70 GGIDMN O[C@@H](C1CCN(CCOc2cccc(Br)c2)CC1)C(F)(F)F ZINC000161236307 565278074 /nfs/dbraw/zinc/27/80/74/565278074.db2.gz GWAHKZGPPIFXDG-AWEZNQCLSA-N 0 1 382.220 3.463 20 70 GGIDMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cnc(-c2cccs2)s1 ZINC000159430749 565206747 /nfs/dbraw/zinc/20/67/47/565206747.db2.gz WEFUJNCROGOORI-CYBMUJFWSA-N 0 1 385.580 3.165 20 70 GGIDMN CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@@H](C)c1cccc(Br)c1 ZINC000159461345 565206855 /nfs/dbraw/zinc/20/68/55/565206855.db2.gz ARXLYBSHRSHVTR-LBPRGKRZSA-N 0 1 395.301 3.256 20 70 GGIDMN CN(CC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[C@@H]1CCSC1 ZINC000159700256 565215478 /nfs/dbraw/zinc/21/54/78/565215478.db2.gz KRZFDEBCEBXFDC-HUUCEWRRSA-N 0 1 379.595 3.165 20 70 GGIDMN CCc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n[nH]1 ZINC000159847053 565220458 /nfs/dbraw/zinc/22/04/58/565220458.db2.gz VMMWTDMPPHWXMG-MEDUHNTESA-N 0 1 378.270 3.337 20 70 GGIDMN O=C(CSCc1ccc(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159992518 565226022 /nfs/dbraw/zinc/22/60/22/565226022.db2.gz ZHUPUKQTWYFJFL-OKILXGFUSA-N 0 1 387.318 3.174 20 70 GGIDMN O=S(=O)(Cc1c(F)cccc1F)NC[C@@H](c1cccs1)N1CCCC1 ZINC000160135158 565232354 /nfs/dbraw/zinc/23/23/54/565232354.db2.gz ZRWJETJSMZMOHZ-INIZCTEOSA-N 0 1 386.489 3.283 20 70 GGIDMN O=C(c1[nH]nc2ccccc21)N(CCO)Cc1cc(Br)ccc1F ZINC000160269829 565238458 /nfs/dbraw/zinc/23/84/58/565238458.db2.gz ZIHUBVSEUPPRRM-UHFFFAOYSA-N 0 1 392.228 3.099 20 70 GGIDMN CCCOc1c(Br)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1OC ZINC000160354314 565241672 /nfs/dbraw/zinc/24/16/72/565241672.db2.gz YNTVSECOFCNOFP-OKILXGFUSA-N 0 1 397.313 3.213 20 70 GGIDMN COc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)c(C)n1 ZINC000160667950 565255324 /nfs/dbraw/zinc/25/53/24/565255324.db2.gz JDDOQEXHNYVJRV-UHFFFAOYSA-N 0 1 377.285 3.332 20 70 GGIDMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(C)n1 ZINC000160669552 565256091 /nfs/dbraw/zinc/25/60/91/565256091.db2.gz FRQPDGSTCKTJOR-UHFFFAOYSA-N 0 1 375.219 3.101 20 70 GGIDMN O=C(NCCNc1ncc(Cl)cc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000160759853 565257863 /nfs/dbraw/zinc/25/78/63/565257863.db2.gz VZVDLNOLBLLFLM-UHFFFAOYSA-N 0 1 377.235 3.015 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000160887896 565262800 /nfs/dbraw/zinc/26/28/00/565262800.db2.gz ZKGMQRALGXEQLV-JTQLQIEISA-N 0 1 380.447 3.024 20 70 GGIDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2cccc(Br)c2)n1 ZINC000160898741 565264672 /nfs/dbraw/zinc/26/46/72/565264672.db2.gz QUVFZZIXIHEBBS-UHFFFAOYSA-N 0 1 387.237 3.424 20 70 GGIDMN COc1ccc(CNC(=O)CN[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000160960923 565266232 /nfs/dbraw/zinc/26/62/32/565266232.db2.gz UYDWFUWBMOYYLF-GOSISDBHSA-N 0 1 389.293 3.351 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000161013823 565269263 /nfs/dbraw/zinc/26/92/63/565269263.db2.gz GXXFIAYNVFTTIS-CYBMUJFWSA-N 0 1 380.491 3.021 20 70 GGIDMN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2F)s1 ZINC000161153198 565275525 /nfs/dbraw/zinc/27/55/25/565275525.db2.gz YZULFKNOCZUPCT-UHFFFAOYSA-N 0 1 391.511 3.389 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000161506109 565286831 /nfs/dbraw/zinc/28/68/31/565286831.db2.gz VTJFLTRNOVYTCT-SSDOTTSWSA-N 0 1 395.289 3.276 20 70 GGIDMN CC[N@H+](CCNCc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000217498550 565897247 /nfs/dbraw/zinc/89/72/47/565897247.db2.gz MGTSFEPOYRHDDC-UHFFFAOYSA-N 0 1 392.135 3.491 20 70 GGIDMN CC[N@@H+](CCNCc1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000217498550 565897250 /nfs/dbraw/zinc/89/72/50/565897250.db2.gz MGTSFEPOYRHDDC-UHFFFAOYSA-N 0 1 392.135 3.491 20 70 GGIDMN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000217084363 565897314 /nfs/dbraw/zinc/89/73/14/565897314.db2.gz ABAXVLDAUKDGSR-UHFFFAOYSA-N 0 1 375.233 3.323 20 70 GGIDMN Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630120 719112772 /nfs/dbraw/zinc/11/27/72/719112772.db2.gz VLSXKVJJLSOCHQ-PKOBYXMFSA-N 0 1 389.496 3.149 20 70 GGIDMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cnc(-c2ccsc2)s1 ZINC000159416347 565205821 /nfs/dbraw/zinc/20/58/21/565205821.db2.gz DKBQFYZYRMCYJU-CQSZACIVSA-N 0 1 385.580 3.165 20 70 GGIDMN CN(CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1CCSC1 ZINC000159599458 565211272 /nfs/dbraw/zinc/21/12/72/565211272.db2.gz ZGPABIJXSQVVCW-OAHLLOKOSA-N 0 1 383.355 3.034 20 70 GGIDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000159665033 565214177 /nfs/dbraw/zinc/21/41/77/565214177.db2.gz MHTCZUWESUJUOD-OAHLLOKOSA-N 0 1 382.961 3.451 20 70 GGIDMN CC[NH+]1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159848259 565221535 /nfs/dbraw/zinc/22/15/35/565221535.db2.gz QMNOGFLLPTWZLR-UHFFFAOYSA-N 0 1 399.713 3.004 20 70 GGIDMN O=C(Cc1csc2ccc(Cl)cc12)N1CCN(C2CCOCC2)CC1 ZINC000160252733 565237610 /nfs/dbraw/zinc/23/76/10/565237610.db2.gz JQXBATHEVXECRO-UHFFFAOYSA-N 0 1 378.925 3.420 20 70 GGIDMN COc1cccc([C@H](CNC(=O)c2ccc(C)nc2Br)N(C)C)c1 ZINC000160374017 565242519 /nfs/dbraw/zinc/24/25/19/565242519.db2.gz WACRERRANQHGPV-INIZCTEOSA-N 0 1 392.297 3.194 20 70 GGIDMN Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(Br)n1 ZINC000160370718 565242703 /nfs/dbraw/zinc/24/27/03/565242703.db2.gz UZROCNQDRSLCQD-OAHLLOKOSA-N 0 1 380.261 3.324 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Br)cc3)n2)o1 ZINC000160382049 565242948 /nfs/dbraw/zinc/24/29/48/565242948.db2.gz REVVVUKVLKTFGY-UHFFFAOYSA-N 0 1 377.198 3.153 20 70 GGIDMN O=S(=O)(Cc1ccc(F)cc1)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000160429092 565245252 /nfs/dbraw/zinc/24/52/52/565245252.db2.gz NEDXNVHBJCVHSE-UHFFFAOYSA-N 0 1 378.454 3.178 20 70 GGIDMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCN1CCCCC1 ZINC000160572889 565251658 /nfs/dbraw/zinc/25/16/58/565251658.db2.gz KUKCDQPENCDWFM-CQSZACIVSA-N 0 1 381.314 3.260 20 70 GGIDMN CCOc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1Br ZINC000160622389 565252600 /nfs/dbraw/zinc/25/26/00/565252600.db2.gz CVXFRXWRNHWFRJ-UHFFFAOYSA-N 0 1 377.285 3.414 20 70 GGIDMN CCC(CC)[C@H](NS(=O)(=O)c1scnc1C(=O)OC)c1cccs1 ZINC000160876021 565262907 /nfs/dbraw/zinc/26/29/07/565262907.db2.gz VFALYSARXSECLU-LBPRGKRZSA-N 0 1 388.536 3.447 20 70 GGIDMN C[C@H](C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923241 565264149 /nfs/dbraw/zinc/26/41/49/565264149.db2.gz QHKSNUXMSWUDJN-GJZGRUSLSA-N 0 1 395.341 3.264 20 70 GGIDMN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(Br)s2)cc1 ZINC000160965355 565266165 /nfs/dbraw/zinc/26/61/65/565266165.db2.gz HQSLAWXRIZVMRV-LLVKDONJSA-N 0 1 383.311 3.486 20 70 GGIDMN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Cl)c1Cl ZINC000160962408 565266472 /nfs/dbraw/zinc/26/64/72/565266472.db2.gz YFRLMBPBRKSRIA-NSHDSACASA-N 0 1 380.275 3.059 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000161013694 565268960 /nfs/dbraw/zinc/26/89/60/565268960.db2.gz GXXFIAYNVFTTIS-ZDUSSCGKSA-N 0 1 380.491 3.021 20 70 GGIDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c(Cl)c1 ZINC000161052831 565271534 /nfs/dbraw/zinc/27/15/34/565271534.db2.gz IOXVVCOHKRKPNL-UHFFFAOYSA-N 0 1 391.873 3.133 20 70 GGIDMN CN(C)[C@H](CNC(=O)COc1ccccc1Br)c1cccs1 ZINC000161275159 565279152 /nfs/dbraw/zinc/27/91/52/565279152.db2.gz WGLNBRDEAHBDRE-CYBMUJFWSA-N 0 1 383.311 3.309 20 70 GGIDMN Cc1ccc(-c2ncc(CN3CCCC[C@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455248 565207129 /nfs/dbraw/zinc/20/71/29/565207129.db2.gz HHPWCKHGFXKZFR-AWEZNQCLSA-N 0 1 383.539 3.005 20 70 GGIDMN C[C@H](NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)c1nnc[nH]1 ZINC000159835297 565220183 /nfs/dbraw/zinc/22/01/83/565220183.db2.gz WHNXWWDWMXCMCK-VIFPVBQESA-N 0 1 380.239 3.239 20 70 GGIDMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1Br ZINC000159920862 565224289 /nfs/dbraw/zinc/22/42/89/565224289.db2.gz ZHQRPUQNCANHSV-UHFFFAOYSA-N 0 1 389.297 3.157 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(I)c3)n2)o1 ZINC000160363040 565241371 /nfs/dbraw/zinc/24/13/71/565241371.db2.gz ZEGLYVRZHSQECK-UHFFFAOYSA-N 0 1 394.172 3.230 20 70 GGIDMN O=S(=O)(Cc1cccc(F)c1)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000160422396 565244474 /nfs/dbraw/zinc/24/44/74/565244474.db2.gz GWFVQBQKMNBHQO-UHFFFAOYSA-N 0 1 378.454 3.178 20 70 GGIDMN C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@H+](C)C1CC1 ZINC000160464365 565246435 /nfs/dbraw/zinc/24/64/35/565246435.db2.gz ZZWOQOAHUSJSTN-MRVPVSSYSA-N 0 1 399.713 3.003 20 70 GGIDMN C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@@H+](C)C1CC1 ZINC000160464365 565246440 /nfs/dbraw/zinc/24/64/40/565246440.db2.gz ZZWOQOAHUSJSTN-MRVPVSSYSA-N 0 1 399.713 3.003 20 70 GGIDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([S@](C)=O)cc1 ZINC000160781491 565258916 /nfs/dbraw/zinc/25/89/16/565258916.db2.gz SXXGOJWXBRIICA-SFDCACGMSA-N 0 1 395.322 3.476 20 70 GGIDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([S@](C)=O)cc1 ZINC000160781378 565259196 /nfs/dbraw/zinc/25/91/96/565259196.db2.gz SXXGOJWXBRIICA-DAOPMYJZSA-N 0 1 395.322 3.476 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000160793918 565259741 /nfs/dbraw/zinc/25/97/41/565259741.db2.gz BIRRQGDCUICGJK-SSDOTTSWSA-N 0 1 395.289 3.276 20 70 GGIDMN CCC(CC)[C@@H](NS(=O)(=O)c1scnc1C(=O)OC)c1cccs1 ZINC000160876152 565263221 /nfs/dbraw/zinc/26/32/21/565263221.db2.gz VFALYSARXSECLU-GFCCVEGCSA-N 0 1 388.536 3.447 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000160887754 565263359 /nfs/dbraw/zinc/26/33/59/565263359.db2.gz ZKGMQRALGXEQLV-SNVBAGLBSA-N 0 1 380.447 3.024 20 70 GGIDMN C[C@H](C(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1ccc(Br)cc1 ZINC000160923110 565264528 /nfs/dbraw/zinc/26/45/28/565264528.db2.gz QHKSNUXMSWUDJN-CABCVRRESA-N 0 1 395.341 3.264 20 70 GGIDMN Cc1cnc(CNS(=O)(=O)c2c(Cl)cc(F)cc2Br)o1 ZINC000160930306 565265541 /nfs/dbraw/zinc/26/55/41/565265541.db2.gz CBTQJXWHFMLADP-UHFFFAOYSA-N 0 1 383.626 3.017 20 70 GGIDMN CCOc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1Br ZINC000160999737 565268110 /nfs/dbraw/zinc/26/81/10/565268110.db2.gz CWODFPKQKMUELW-UHFFFAOYSA-N 0 1 388.287 3.426 20 70 GGIDMN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cccc(Br)c1 ZINC000161033490 565269850 /nfs/dbraw/zinc/26/98/50/565269850.db2.gz GIUZVKYKCIZBTC-ZDUSSCGKSA-N 0 1 398.278 3.418 20 70 GGIDMN COc1cc(OC)c(NC(=O)N2CCN(C(C)C)CC2)cc1Br ZINC000161120561 565274231 /nfs/dbraw/zinc/27/42/31/565274231.db2.gz XSHKPDDCRUNQBP-UHFFFAOYSA-N 0 1 386.290 3.024 20 70 GGIDMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161237779 565277687 /nfs/dbraw/zinc/27/76/87/565277687.db2.gz QVIZZIAZGVGNLO-UHFFFAOYSA-N 0 1 390.709 3.023 20 70 GGIDMN O=C(CCN1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000161216372 565278189 /nfs/dbraw/zinc/27/81/89/565278189.db2.gz UODZBXOMRUZGKT-OAHLLOKOSA-N 0 1 382.785 3.443 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000161356848 565282873 /nfs/dbraw/zinc/28/28/73/565282873.db2.gz OBMRHLKSAWUFOW-AWEZNQCLSA-N 0 1 382.507 3.304 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000161356724 565283241 /nfs/dbraw/zinc/28/32/41/565283241.db2.gz OBMRHLKSAWUFOW-CQSZACIVSA-N 0 1 382.507 3.304 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000161441291 565284493 /nfs/dbraw/zinc/28/44/93/565284493.db2.gz VGJLAWDDMXUHEJ-GFCCVEGCSA-N 0 1 388.898 3.259 20 70 GGIDMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000159372699 565204438 /nfs/dbraw/zinc/20/44/38/565204438.db2.gz QXAODFINRROUAP-ZDUSSCGKSA-N 0 1 393.325 3.401 20 70 GGIDMN CC(C)[C@H](CNc1ncc(Cl)cc1Br)N1CCN(C)CC1 ZINC000159562939 565210103 /nfs/dbraw/zinc/21/01/03/565210103.db2.gz NPLVHUOXVMVNMN-AWEZNQCLSA-N 0 1 375.742 3.181 20 70 GGIDMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000159620591 565212768 /nfs/dbraw/zinc/21/27/68/565212768.db2.gz OTHDRMITODQJKH-KDOFPFPSSA-N 0 1 395.341 3.345 20 70 GGIDMN CN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159606883 565212977 /nfs/dbraw/zinc/21/29/77/565212977.db2.gz MICXWPHFFIQEIU-HZMBPMFUSA-N 0 1 375.694 3.134 20 70 GGIDMN O=C(c1cc(Br)sc1Br)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159682682 565215114 /nfs/dbraw/zinc/21/51/14/565215114.db2.gz NPXBCBDMGLCUCB-OCAPTIKFSA-N 0 1 394.132 3.240 20 70 GGIDMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)c2cc(Br)ccc2n1 ZINC000159890517 565222334 /nfs/dbraw/zinc/22/23/34/565222334.db2.gz YENFPXRQDCINGJ-UHFFFAOYSA-N 0 1 376.298 3.472 20 70 GGIDMN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1 ZINC000160048445 565228841 /nfs/dbraw/zinc/22/88/41/565228841.db2.gz HADAKBJJQBPITA-CZUORRHYSA-N 0 1 399.329 3.022 20 70 GGIDMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1 ZINC000160048445 565228847 /nfs/dbraw/zinc/22/88/47/565228847.db2.gz HADAKBJJQBPITA-CZUORRHYSA-N 0 1 399.329 3.022 20 70 GGIDMN O=S(=O)(Cc1c(F)cccc1F)NC[C@H](c1cccs1)N1CCCC1 ZINC000160135297 565232942 /nfs/dbraw/zinc/23/29/42/565232942.db2.gz ZRWJETJSMZMOHZ-MRXNPFEDSA-N 0 1 386.489 3.283 20 70 GGIDMN Cc1[nH]ncc1CCCNC(=O)N[C@H](C)Cc1ccccc1Br ZINC000160165377 565233464 /nfs/dbraw/zinc/23/34/64/565233464.db2.gz XLQPOANEPOOJKF-GFCCVEGCSA-N 0 1 379.302 3.344 20 70 GGIDMN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000160317572 565240456 /nfs/dbraw/zinc/24/04/56/565240456.db2.gz OAVLDYSVBQCTEW-UHFFFAOYSA-N 0 1 397.656 3.485 20 70 GGIDMN CC[N@H+](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000160442107 565245818 /nfs/dbraw/zinc/24/58/18/565245818.db2.gz JMEHGWSEJVHEKW-UHFFFAOYSA-N 0 1 399.713 3.004 20 70 GGIDMN CC[N@@H+](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C1CC1 ZINC000160442107 565245824 /nfs/dbraw/zinc/24/58/24/565245824.db2.gz JMEHGWSEJVHEKW-UHFFFAOYSA-N 0 1 399.713 3.004 20 70 GGIDMN O=C(CN[C@H]1CCSc2ccc(Br)cc21)NCC(F)(F)F ZINC000160580921 565251616 /nfs/dbraw/zinc/25/16/16/565251616.db2.gz YRERNTCKOMRELI-JTQLQIEISA-N 0 1 383.233 3.254 20 70 GGIDMN COc1ccc(NS(=O)(=O)c2cc(Br)sc2C)c(C)n1 ZINC000160676474 565255831 /nfs/dbraw/zinc/25/58/31/565255831.db2.gz YELRWWWXVSHRNG-UHFFFAOYSA-N 0 1 377.285 3.332 20 70 GGIDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160781721 565258894 /nfs/dbraw/zinc/25/88/94/565258894.db2.gz SXXGOJWXBRIICA-SPSFWMDKSA-N 0 1 395.322 3.476 20 70 GGIDMN CC(C)NC(=O)CN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000160938640 565265604 /nfs/dbraw/zinc/26/56/04/565265604.db2.gz QUIUGRODGRLQJT-QGZVFWFLSA-N 0 1 376.298 3.242 20 70 GGIDMN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cccc(Cl)c1Cl ZINC000160962537 565266642 /nfs/dbraw/zinc/26/66/42/565266642.db2.gz YFRLMBPBRKSRIA-LLVKDONJSA-N 0 1 380.275 3.059 20 70 GGIDMN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(Br)s2)cc1 ZINC000160965240 565266864 /nfs/dbraw/zinc/26/68/64/565266864.db2.gz HQSLAWXRIZVMRV-NSHDSACASA-N 0 1 383.311 3.486 20 70 GGIDMN CCOc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1Br ZINC000161001781 565267820 /nfs/dbraw/zinc/26/78/20/565267820.db2.gz FOWSPQZKJYTNDZ-UHFFFAOYSA-N 0 1 398.282 3.316 20 70 GGIDMN COc1cc(OC)c(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1Br ZINC000161087413 565272917 /nfs/dbraw/zinc/27/29/17/565272917.db2.gz PYJWJZCXNQERTL-GFCCVEGCSA-N 0 1 398.301 3.168 20 70 GGIDMN CN(C)[C@@H](CNC(=O)COc1ccccc1Br)c1cccs1 ZINC000161275036 565278946 /nfs/dbraw/zinc/27/89/46/565278946.db2.gz WGLNBRDEAHBDRE-ZDUSSCGKSA-N 0 1 383.311 3.309 20 70 GGIDMN CCc1nc2c(s1)[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449412 565284813 /nfs/dbraw/zinc/28/48/13/565284813.db2.gz WBUOXMPIRKLSKJ-DOMZBBRYSA-N 0 1 379.551 3.342 20 70 GGIDMN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449144 565285544 /nfs/dbraw/zinc/28/55/44/565285544.db2.gz WBUOXMPIRKLSKJ-WFASDCNBSA-N 0 1 379.551 3.342 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000161505995 565286444 /nfs/dbraw/zinc/28/64/44/565286444.db2.gz VTJFLTRNOVYTCT-ZETCQYMHSA-N 0 1 395.289 3.276 20 70 GGIDMN CCn1cc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)nc1C ZINC000218220518 565898624 /nfs/dbraw/zinc/89/86/24/565898624.db2.gz LSXSWQXSPFCLND-UHFFFAOYSA-N 0 1 380.214 3.053 20 70 GGIDMN Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630117 719112983 /nfs/dbraw/zinc/11/29/83/719112983.db2.gz VLSXKVJJLSOCHQ-HKUYNNGSSA-N 0 1 389.496 3.149 20 70 GGIDMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000159372839 565203757 /nfs/dbraw/zinc/20/37/57/565203757.db2.gz QXAODFINRROUAP-CYBMUJFWSA-N 0 1 393.325 3.401 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3cc(Br)ccc3F)n2)o1 ZINC000159367073 565204765 /nfs/dbraw/zinc/20/47/65/565204765.db2.gz QDAXQLVIQKVENE-UHFFFAOYSA-N 0 1 379.189 3.456 20 70 GGIDMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cnc(-c2ccsc2)s1 ZINC000159416236 565205679 /nfs/dbraw/zinc/20/56/79/565205679.db2.gz DKBQFYZYRMCYJU-AWEZNQCLSA-N 0 1 385.580 3.165 20 70 GGIDMN CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@H](C)c1cccc(Br)c1 ZINC000159461485 565207018 /nfs/dbraw/zinc/20/70/18/565207018.db2.gz ARXLYBSHRSHVTR-GFCCVEGCSA-N 0 1 395.301 3.256 20 70 GGIDMN CC[C@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)N(C)C ZINC000159520271 565209292 /nfs/dbraw/zinc/20/92/92/565209292.db2.gz VREXWJUPYWBFRK-MRXNPFEDSA-N 0 1 379.302 3.167 20 70 GGIDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2N(C)C)c1 ZINC000159608593 565212871 /nfs/dbraw/zinc/21/28/71/565212871.db2.gz BANPBZSYZJCWLQ-UHFFFAOYSA-N 0 1 398.326 3.382 20 70 GGIDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H]2CCSC2)CC1 ZINC000159665160 565214145 /nfs/dbraw/zinc/21/41/45/565214145.db2.gz MHTCZUWESUJUOD-HNNXBMFYSA-N 0 1 382.961 3.451 20 70 GGIDMN COc1ccsc1S(=O)(=O)[N-]c1cc(C[NH+]2CCSCC2)ccc1C ZINC000159737806 565216743 /nfs/dbraw/zinc/21/67/43/565216743.db2.gz NMLWMPRSQARTPI-UHFFFAOYSA-N 0 1 398.575 3.415 20 70 GGIDMN CCc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)n[nH]1 ZINC000159847181 565221331 /nfs/dbraw/zinc/22/13/31/565221331.db2.gz VMMWTDMPPHWXMG-BZNIZROVSA-N 0 1 378.270 3.337 20 70 GGIDMN CCOCCC1(CN[C@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000159969413 565226566 /nfs/dbraw/zinc/22/65/66/565226566.db2.gz KKGVUYRXHXLYDF-HNNXBMFYSA-N 0 1 387.293 3.301 20 70 GGIDMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](C)Cc1ccccc1Br ZINC000160165246 565233626 /nfs/dbraw/zinc/23/36/26/565233626.db2.gz XLQPOANEPOOJKF-LBPRGKRZSA-N 0 1 379.302 3.344 20 70 GGIDMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N(CCCCO)C1CC1 ZINC000160183275 565234071 /nfs/dbraw/zinc/23/40/71/565234071.db2.gz SXQOHTOBHRCCQS-UHFFFAOYSA-N 0 1 378.270 3.216 20 70 GGIDMN CS(=O)(=O)Cc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1F ZINC000160313180 565239694 /nfs/dbraw/zinc/23/96/94/565239694.db2.gz VWSIXIWHYKRLBX-UHFFFAOYSA-N 0 1 379.438 3.074 20 70 GGIDMN Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(Br)n1 ZINC000160370600 565243144 /nfs/dbraw/zinc/24/31/44/565243144.db2.gz UZROCNQDRSLCQD-HNNXBMFYSA-N 0 1 380.261 3.324 20 70 GGIDMN C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@H+](C)C1CC1 ZINC000160464227 565247015 /nfs/dbraw/zinc/24/70/15/565247015.db2.gz ZZWOQOAHUSJSTN-QMMMGPOBSA-N 0 1 399.713 3.003 20 70 GGIDMN C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[N@@H+](C)C1CC1 ZINC000160464227 565247018 /nfs/dbraw/zinc/24/70/18/565247018.db2.gz ZZWOQOAHUSJSTN-QMMMGPOBSA-N 0 1 399.713 3.003 20 70 GGIDMN O=C(CN[C@@H]1CCSc2ccc(Br)cc21)NCC(F)(F)F ZINC000160580810 565251442 /nfs/dbraw/zinc/25/14/42/565251442.db2.gz YRERNTCKOMRELI-SNVBAGLBSA-N 0 1 383.233 3.254 20 70 GGIDMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCN1CCCCC1 ZINC000160572765 565251827 /nfs/dbraw/zinc/25/18/27/565251827.db2.gz KUKCDQPENCDWFM-AWEZNQCLSA-N 0 1 381.314 3.260 20 70 GGIDMN COc1cccc(OCCCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000160991736 565267317 /nfs/dbraw/zinc/26/73/17/565267317.db2.gz KTMBZGFBOZPEKM-QGZVFWFLSA-N 0 1 393.281 3.043 20 70 GGIDMN COc1cccc(OCCCN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000160991599 565267646 /nfs/dbraw/zinc/26/76/46/565267646.db2.gz KTMBZGFBOZPEKM-KRWDZBQOSA-N 0 1 393.281 3.043 20 70 GGIDMN CCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1Br ZINC000161011144 565268916 /nfs/dbraw/zinc/26/89/16/565268916.db2.gz IDQCZFFHPQFSTB-UHFFFAOYSA-N 0 1 390.230 3.493 20 70 GGIDMN COc1cc(OC)c(NC(=O)N2CCN(CC3CC3)CC2)cc1Br ZINC000161110632 565273967 /nfs/dbraw/zinc/27/39/67/565273967.db2.gz BGTOQZBVBHAIBO-UHFFFAOYSA-N 0 1 398.301 3.026 20 70 GGIDMN CCc1nc2c(s1)[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449271 565285003 /nfs/dbraw/zinc/28/50/03/565285003.db2.gz WBUOXMPIRKLSKJ-IUODEOHRSA-N 0 1 379.551 3.342 20 70 GGIDMN Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630119 719113365 /nfs/dbraw/zinc/11/33/65/719113365.db2.gz VLSXKVJJLSOCHQ-MJGOQNOKSA-N 0 1 389.496 3.149 20 70 GGIDMN Cc1ccc(-c2ncc(CN3CCCC[C@@H]3CCNS(C)(=O)=O)s2)o1 ZINC000159455102 565206633 /nfs/dbraw/zinc/20/66/33/565206633.db2.gz HHPWCKHGFXKZFR-CQSZACIVSA-N 0 1 383.539 3.005 20 70 GGIDMN CN(CC(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1CCSC1 ZINC000159599618 565211824 /nfs/dbraw/zinc/21/18/24/565211824.db2.gz ZGPABIJXSQVVCW-HNNXBMFYSA-N 0 1 383.355 3.034 20 70 GGIDMN C[C@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000159620985 565212850 /nfs/dbraw/zinc/21/28/50/565212850.db2.gz OTHDRMITODQJKH-KBXCAEBGSA-N 0 1 395.341 3.345 20 70 GGIDMN Cc1cc(C)c(NS(=O)(=O)c2ncn(C)c2Cl)c(Br)c1 ZINC000159649940 565213783 /nfs/dbraw/zinc/21/37/83/565213783.db2.gz IWOWUCGRYXYCCQ-UHFFFAOYSA-N 0 1 378.679 3.254 20 70 GGIDMN C[C@@H](NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl)c1nnc[nH]1 ZINC000159835405 565220098 /nfs/dbraw/zinc/22/00/98/565220098.db2.gz WHNXWWDWMXCMCK-SECBINFHSA-N 0 1 380.239 3.239 20 70 GGIDMN CCOCCC1(CN[C@@H](C(N)=O)c2ccc(Br)cc2F)CCC1 ZINC000159969555 565226660 /nfs/dbraw/zinc/22/66/60/565226660.db2.gz KKGVUYRXHXLYDF-OAHLLOKOSA-N 0 1 387.293 3.301 20 70 GGIDMN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1 ZINC000160048302 565229143 /nfs/dbraw/zinc/22/91/43/565229143.db2.gz HADAKBJJQBPITA-CJNGLKHVSA-N 0 1 399.329 3.022 20 70 GGIDMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@H](C)C1 ZINC000160048302 565229148 /nfs/dbraw/zinc/22/91/48/565229148.db2.gz HADAKBJJQBPITA-CJNGLKHVSA-N 0 1 399.329 3.022 20 70 GGIDMN COc1c(CNCC2=Cc3cc(Br)ccc3OC2)c(C)nn1C ZINC000160160453 565234296 /nfs/dbraw/zinc/23/42/96/565234296.db2.gz QBEKMQZHPBVOGH-UHFFFAOYSA-N 0 1 378.270 3.065 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(I)cc3)n2)o1 ZINC000160362881 565241094 /nfs/dbraw/zinc/24/10/94/565241094.db2.gz DTBCEUSZTWVQBO-UHFFFAOYSA-N 0 1 394.172 3.230 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(F)c(Br)c3)n2)o1 ZINC000160408620 565244152 /nfs/dbraw/zinc/24/41/52/565244152.db2.gz SAXFJIKEWNQDJJ-UHFFFAOYSA-N 0 1 379.189 3.456 20 70 GGIDMN O=C(COc1ccccc1Br)NC[C@H](c1ccco1)N1CCCC1 ZINC000160394953 565244210 /nfs/dbraw/zinc/24/42/10/565244210.db2.gz APRGKKWRZPJDTR-OAHLLOKOSA-N 0 1 393.281 3.374 20 70 GGIDMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160745075 565257687 /nfs/dbraw/zinc/25/76/87/565257687.db2.gz FAPWTYMDMIBVMQ-CABCVRRESA-N 0 1 379.287 3.359 20 70 GGIDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([S@@](C)=O)cc1 ZINC000160781599 565259670 /nfs/dbraw/zinc/25/96/70/565259670.db2.gz SXXGOJWXBRIICA-MYODQAERSA-N 0 1 395.322 3.476 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000160858322 565261682 /nfs/dbraw/zinc/26/16/82/565261682.db2.gz HYCSRLGTAVFQMW-AWEZNQCLSA-N 0 1 380.491 3.140 20 70 GGIDMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nc(C4CC4)cs3)cc2F)c1 ZINC000160895659 565262814 /nfs/dbraw/zinc/26/28/14/565262814.db2.gz YTHHJDNXABESNH-UHFFFAOYSA-N 0 1 378.454 3.455 20 70 GGIDMN O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1nc(-c2ccccn2)n[nH]1 ZINC000160884656 565263482 /nfs/dbraw/zinc/26/34/82/565263482.db2.gz GEZPMDMUHJBSDU-UHFFFAOYSA-N 0 1 397.236 3.292 20 70 GGIDMN COc1ccc(CNC(=O)CN[C@H]2CCc3cc(Br)ccc32)cc1 ZINC000160961024 565266399 /nfs/dbraw/zinc/26/63/99/565266399.db2.gz UYDWFUWBMOYYLF-SFHVURJKSA-N 0 1 389.293 3.351 20 70 GGIDMN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000161045065 565270519 /nfs/dbraw/zinc/27/05/19/565270519.db2.gz AKBDEUCRHLUOQQ-CYBMUJFWSA-N 0 1 398.278 3.418 20 70 GGIDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000161441157 565284206 /nfs/dbraw/zinc/28/42/06/565284206.db2.gz VGJLAWDDMXUHEJ-LBPRGKRZSA-N 0 1 388.898 3.259 20 70 GGIDMN CCc1nc2c(s1)[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)CCC2 ZINC000161449022 565285350 /nfs/dbraw/zinc/28/53/50/565285350.db2.gz WBUOXMPIRKLSKJ-SWLSCSKDSA-N 0 1 379.551 3.342 20 70 GGIDMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cnc(-c2cccs2)s1 ZINC000159430628 565206332 /nfs/dbraw/zinc/20/63/32/565206332.db2.gz WEFUJNCROGOORI-ZDUSSCGKSA-N 0 1 385.580 3.165 20 70 GGIDMN CC[C@@H](C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1)N(C)C ZINC000159520147 565209029 /nfs/dbraw/zinc/20/90/29/565209029.db2.gz VREXWJUPYWBFRK-INIZCTEOSA-N 0 1 379.302 3.167 20 70 GGIDMN CC(C)[C@@H](CNc1ncc(Cl)cc1Br)N1CCN(C)CC1 ZINC000159562811 565210764 /nfs/dbraw/zinc/21/07/64/565210764.db2.gz NPLVHUOXVMVNMN-CQSZACIVSA-N 0 1 375.742 3.181 20 70 GGIDMN CN(CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159607031 565212948 /nfs/dbraw/zinc/21/29/48/565212948.db2.gz MICXWPHFFIQEIU-YGRLFVJLSA-N 0 1 375.694 3.134 20 70 GGIDMN CC(C)c1cc(C(=O)N(CCO)Cc2cc(Br)ccc2F)n[nH]1 ZINC000160283027 565238399 /nfs/dbraw/zinc/23/83/99/565238399.db2.gz OKYMFOIFAOTJRI-UHFFFAOYSA-N 0 1 384.249 3.069 20 70 GGIDMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(Br)cc3F)n2)o1 ZINC000160292474 565239776 /nfs/dbraw/zinc/23/97/76/565239776.db2.gz VBTPCEXXSYLJSU-UHFFFAOYSA-N 0 1 395.188 3.292 20 70 GGIDMN O=C(COc1ccccc1Br)NC[C@@H](c1ccco1)N1CCCC1 ZINC000160394821 565242479 /nfs/dbraw/zinc/24/24/79/565242479.db2.gz APRGKKWRZPJDTR-HNNXBMFYSA-N 0 1 393.281 3.374 20 70 GGIDMN COc1cccc([C@@H](CNC(=O)c2ccc(C)nc2Br)N(C)C)c1 ZINC000160374154 565243028 /nfs/dbraw/zinc/24/30/28/565243028.db2.gz WACRERRANQHGPV-MRXNPFEDSA-N 0 1 392.297 3.194 20 70 GGIDMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000160744937 565257751 /nfs/dbraw/zinc/25/77/51/565257751.db2.gz FAPWTYMDMIBVMQ-HUUCEWRRSA-N 0 1 379.287 3.359 20 70 GGIDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000160782781 565258944 /nfs/dbraw/zinc/25/89/44/565258944.db2.gz CMRCVWLLSMWGCO-NSHDSACASA-N 0 1 377.238 3.467 20 70 GGIDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000160782918 565259521 /nfs/dbraw/zinc/25/95/21/565259521.db2.gz CMRCVWLLSMWGCO-LLVKDONJSA-N 0 1 377.238 3.467 20 70 GGIDMN COC(=O)CCn1nc(C)c(CN(C)Cc2ccc(Br)cc2)c1C ZINC000160799716 565260799 /nfs/dbraw/zinc/26/07/99/565260799.db2.gz ZXQYCWAUUMXQRD-UHFFFAOYSA-N 0 1 394.313 3.458 20 70 GGIDMN O=C(CCc1nc[nH]n1)NCC1(c2cccc(Br)c2)CCCC1 ZINC000160933900 565265678 /nfs/dbraw/zinc/26/56/78/565265678.db2.gz CKMKCOBXNQBRGG-UHFFFAOYSA-N 0 1 377.286 3.128 20 70 GGIDMN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000161033352 565269726 /nfs/dbraw/zinc/26/97/26/565269726.db2.gz GIUZVKYKCIZBTC-CYBMUJFWSA-N 0 1 398.278 3.418 20 70 GGIDMN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)ccc1Cl ZINC000161034041 565269976 /nfs/dbraw/zinc/26/99/76/565269976.db2.gz TWNGBQXYYLCCHN-NSHDSACASA-N 0 1 380.275 3.059 20 70 GGIDMN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1cc(Cl)ccc1Cl ZINC000161034154 565270233 /nfs/dbraw/zinc/27/02/33/565270233.db2.gz TWNGBQXYYLCCHN-LLVKDONJSA-N 0 1 380.275 3.059 20 70 GGIDMN CCCN1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000161057745 565271450 /nfs/dbraw/zinc/27/14/50/565271450.db2.gz ZFINDHDZWJUHPD-UHFFFAOYSA-N 0 1 386.290 3.026 20 70 GGIDMN COc1cc(CN(C)Cc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O ZINC000161129002 565275148 /nfs/dbraw/zinc/27/51/48/565275148.db2.gz BSHOBSXYIKQREQ-UHFFFAOYSA-N 0 1 383.275 3.498 20 70 GGIDMN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140043 565275243 /nfs/dbraw/zinc/27/52/43/565275243.db2.gz BMHGARYCKSXYHC-DNVCBOLYSA-N 0 1 385.335 3.279 20 70 GGIDMN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000161140172 565275339 /nfs/dbraw/zinc/27/53/39/565275339.db2.gz BMHGARYCKSXYHC-BEFAXECRSA-N 0 1 385.335 3.279 20 70 GGIDMN O=C(CCN1CCC([C@H](O)C(F)(F)F)CC1)Nc1ccc(Cl)cc1F ZINC000161216243 565278029 /nfs/dbraw/zinc/27/80/29/565278029.db2.gz UODZBXOMRUZGKT-HNNXBMFYSA-N 0 1 382.785 3.443 20 70 GGIDMN O=C(NCCc1ccc(F)c(Br)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000161437644 565284332 /nfs/dbraw/zinc/28/43/32/565284332.db2.gz JQEHEQLYLMDUCH-UHFFFAOYSA-N 0 1 389.228 3.346 20 70 GGIDMN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[O-] ZINC000218391775 565899849 /nfs/dbraw/zinc/89/98/49/565899849.db2.gz SMXFMLRGWYXTQO-UHFFFAOYSA-N 0 1 377.282 3.359 20 70 GGIDMN Cc1cc(S(=O)(=O)F)cnc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630118 719112828 /nfs/dbraw/zinc/11/28/28/719112828.db2.gz VLSXKVJJLSOCHQ-IEBWSBKVSA-N 0 1 389.496 3.149 20 70 GGIDMN