smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000005270113 204123088 /nfs/dbraw/zinc/12/30/88/204123088.db2.gz ASNVGJNKCFMXHS-UHFFFAOYSA-N -1 3 378.259 3.419 10 30 GGEEHM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCCC1 ZINC000067508649 205249330 /nfs/dbraw/zinc/24/93/30/205249330.db2.gz MZJMJTZYZXDTEZ-UHFFFAOYSA-N -1 3 387.436 3.193 10 30 GGEEHM C=CCN(Cc1nc(=O)c2c(-c3ccccc3OC)csc2[n-]1)C[C@@H](C)O ZINC000036207169 518800112 /nfs/dbraw/zinc/80/01/12/518800112.db2.gz XEUJAJPQSBCKBA-CYBMUJFWSA-N -1 3 385.489 3.029 10 30 GGEEHM C=CCN(Cc1nc(=O)c2c(-c3ccccc3OC)csc2[n-]1)C[C@H](C)O ZINC000036207168 518801553 /nfs/dbraw/zinc/80/15/53/518801553.db2.gz XEUJAJPQSBCKBA-ZDUSSCGKSA-N -1 3 385.489 3.029 10 30 GGEEHM C=CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2sc1=O ZINC000046141156 519263011 /nfs/dbraw/zinc/26/30/11/519263011.db2.gz FBXFOJHLVWUFCK-UHFFFAOYSA-N -1 3 376.459 3.058 10 30 GGEEHM CCCCCCCCC(=O)Nc1cc2nc3[nH]c(=O)[n-]c(=O)c3nc2cc1C ZINC000101321510 519973055 /nfs/dbraw/zinc/97/30/55/519973055.db2.gz AOTNWWCLADFYHI-UHFFFAOYSA-N -1 3 383.452 3.157 10 30 GGEEHM CCOc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1[O-] ZINC000103716962 520646790 /nfs/dbraw/zinc/64/67/90/520646790.db2.gz FFGGYPZYHJSCQO-NVNXTCNLSA-N -1 3 390.280 3.423 10 30 GGEEHM COc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c([N+](=O)[O-])cc1[O-] ZINC000059949038 521969075 /nfs/dbraw/zinc/96/90/75/521969075.db2.gz RDMVMRNIVXRKQS-CHHVJCJISA-N -1 3 389.364 3.340 10 30 GGEEHM COc1cc(/C=N/S(=O)(=O)c2cccs2)cc(Br)c1[O-] ZINC000102963124 521997965 /nfs/dbraw/zinc/99/79/65/521997965.db2.gz OJOAFWPAYNAGSH-VGOFMYFVSA-N -1 3 376.253 3.033 10 30 GGEEHM COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(O)c2[O-])C1=O ZINC000036257138 522894423 /nfs/dbraw/zinc/89/44/23/522894423.db2.gz QNJGAEQBZFPIEK-NTEUORMPSA-N -1 3 387.388 3.390 10 30 GGEEHM COc1ccccc1-c1nc(NC(=O)COc2ccc(C#N)cc2OC)n[n-]1 ZINC000058216673 524276761 /nfs/dbraw/zinc/27/67/61/524276761.db2.gz DDIYPQAMFWVUKY-UHFFFAOYSA-N -1 3 379.376 3.028 10 30 GGEEHM O=C([N-]c1nc(S(=O)(=O)Cc2ccc(F)cc2)ns1)c1cccs1 ZINC000032958463 527193504 /nfs/dbraw/zinc/19/35/04/527193504.db2.gz IFQABMVAQMCISA-UHFFFAOYSA-N -1 3 383.451 3.349 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000130517167 564684882 /nfs/dbraw/zinc/68/48/82/564684882.db2.gz UXIWEKWLUCVVDI-XHDPSFHLSA-N -1 3 387.299 3.208 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000130517375 564684962 /nfs/dbraw/zinc/68/49/62/564684962.db2.gz UXIWEKWLUCVVDI-ABAIWWIYSA-N -1 3 387.299 3.208 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000130516931 564685070 /nfs/dbraw/zinc/68/50/70/564685070.db2.gz UXIWEKWLUCVVDI-IAQYHMDHSA-N -1 3 387.299 3.208 10 30 GGEEHM CSCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cc([O-])ccc1C ZINC000131237512 564705639 /nfs/dbraw/zinc/70/56/39/564705639.db2.gz WTLLBUDGZVQSKU-UHFFFAOYSA-O -1 3 381.568 3.249 10 30 GGEEHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2sccc2C#N)ccc1F ZINC000133220610 564766358 /nfs/dbraw/zinc/76/63/58/564766358.db2.gz WXTUHYJBCQYCOG-UHFFFAOYSA-N -1 3 381.454 3.088 10 30 GGEEHM C=CCCCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000135655418 564838023 /nfs/dbraw/zinc/83/80/23/564838023.db2.gz AQQJJECQTUYCIZ-UHFFFAOYSA-N -1 3 379.309 3.086 10 30 GGEEHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000084250895 564868948 /nfs/dbraw/zinc/86/89/48/564868948.db2.gz JKXFPONVPSDTAW-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c(F)c1 ZINC000105621290 564970618 /nfs/dbraw/zinc/97/06/18/564970618.db2.gz NRCUMBAGHSIQMH-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccs1 ZINC000155234133 565065003 /nfs/dbraw/zinc/06/50/03/565065003.db2.gz WWBCDOPBRWQJDM-LBPRGKRZSA-N -1 3 386.296 3.207 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000156703731 565102135 /nfs/dbraw/zinc/10/21/35/565102135.db2.gz DKOGKSBLDDKDDE-UHFFFAOYSA-N -1 3 375.881 3.159 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000157136532 565119733 /nfs/dbraw/zinc/11/97/33/565119733.db2.gz MKTMGHMCOJOUDE-SECBINFHSA-N -1 3 375.397 3.382 10 30 GGEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000158179778 565159554 /nfs/dbraw/zinc/15/95/54/565159554.db2.gz CXRAEKLMCVZNJL-MRXNPFEDSA-N -1 3 379.503 3.076 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000159924512 565223370 /nfs/dbraw/zinc/22/33/70/565223370.db2.gz XTOCFOHLKDHKCL-LLVKDONJSA-N -1 3 375.397 3.463 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c1 ZINC000186393514 565259819 /nfs/dbraw/zinc/25/98/19/565259819.db2.gz GBVRFLZAAFVWAZ-UHFFFAOYSA-N -1 3 375.881 3.159 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000161166117 565276698 /nfs/dbraw/zinc/27/66/98/565276698.db2.gz ORATVDWOONKRJN-CYBMUJFWSA-N -1 3 387.299 3.208 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000295843373 565289578 /nfs/dbraw/zinc/28/95/78/565289578.db2.gz WPWKBWUILHBJAH-ONGXEEELSA-N -1 3 377.691 3.463 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000296151000 565304416 /nfs/dbraw/zinc/30/44/16/565304416.db2.gz KDGVVYVSQRGRRF-MRVPVSSYSA-N -1 3 393.387 3.353 10 30 GGEEHM N#CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000171713924 565446655 /nfs/dbraw/zinc/44/66/55/565446655.db2.gz VFXMDURJGTWMKI-UHFFFAOYSA-N -1 3 385.205 3.440 10 30 GGEEHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1 ZINC000390485892 565555872 /nfs/dbraw/zinc/55/58/72/565555872.db2.gz GKOIWHDOGKOKEH-UHFFFAOYSA-N -1 3 380.267 3.442 10 30 GGEEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1Cl ZINC000282642636 565789006 /nfs/dbraw/zinc/78/90/06/565789006.db2.gz UFTUXHYUDLMRPA-UHFFFAOYSA-N -1 3 387.864 3.046 10 30 GGEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332996646 565861611 /nfs/dbraw/zinc/86/16/11/565861611.db2.gz ATEYLXHDSXUKND-GOEBONIOSA-N -1 3 399.900 3.136 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000177662152 565865695 /nfs/dbraw/zinc/86/56/95/565865695.db2.gz CXDUGKZLBFYWFW-GFCCVEGCSA-N -1 3 375.397 3.463 10 30 GGEEHM O=C(CCCC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)N[O-] ZINC000222147008 565904953 /nfs/dbraw/zinc/90/49/53/565904953.db2.gz OVFFTIPIFHUVSP-UHFFFAOYSA-N -1 3 384.274 3.369 10 30 GGEEHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000599391352 566262164 /nfs/dbraw/zinc/26/21/64/566262164.db2.gz YMVRLFOBCKGTJL-NSHDSACASA-N -1 3 378.475 3.496 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000575910833 566297931 /nfs/dbraw/zinc/29/79/31/566297931.db2.gz KENWZWCCXOBZEC-SJORKVTESA-N -1 3 376.865 3.410 10 30 GGEEHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 ZINC000576573794 566359363 /nfs/dbraw/zinc/35/93/63/566359363.db2.gz UESAKZYZTSEFMF-OAHLLOKOSA-N -1 3 384.910 3.311 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000557811514 566421998 /nfs/dbraw/zinc/42/19/98/566421998.db2.gz DKDOBUCJXUVBJC-SECBINFHSA-N -1 3 386.296 3.125 10 30 GGEEHM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1cccnc1C(F)(F)F ZINC000672410226 566488236 /nfs/dbraw/zinc/48/82/36/566488236.db2.gz MLGRHGLQQAIZPU-UHFFFAOYSA-N -1 3 388.264 3.135 10 30 GGEEHM C=CCCC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000538330515 566507728 /nfs/dbraw/zinc/50/77/28/566507728.db2.gz LBHNNPGUEQMTDL-CYBMUJFWSA-N -1 3 382.507 3.294 10 30 GGEEHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000673298880 566529920 /nfs/dbraw/zinc/52/99/20/566529920.db2.gz TZHDPNZGSHBCPN-UHFFFAOYSA-N -1 3 394.265 3.387 10 30 GGEEHM C=CCCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000578765948 566551522 /nfs/dbraw/zinc/55/15/22/566551522.db2.gz UBQDTLBHSARWCT-UHFFFAOYSA-N -1 3 388.917 3.075 10 30 GGEEHM C=CC[C@@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000628492152 566561771 /nfs/dbraw/zinc/56/17/71/566561771.db2.gz OVBFXQFDZRTOPM-LLVKDONJSA-N -1 3 376.400 3.115 10 30 GGEEHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578917322 566563685 /nfs/dbraw/zinc/56/36/85/566563685.db2.gz OJJAPUSTSUOQHK-HZMBPMFUSA-N -1 3 394.718 3.362 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000579409024 566606652 /nfs/dbraw/zinc/60/66/52/566606652.db2.gz YNCQUMONTCBIRV-ZDUSSCGKSA-N -1 3 396.818 3.005 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000486833353 566627596 /nfs/dbraw/zinc/62/75/96/566627596.db2.gz PIBNZNJOSOQTMB-SSDOTTSWSA-N -1 3 379.360 3.212 10 30 GGEEHM C=CCOc1ccccc1CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000676905577 566716347 /nfs/dbraw/zinc/71/63/47/566716347.db2.gz YSGDPYRSAJWNFA-UHFFFAOYSA-N -1 3 386.926 3.034 10 30 GGEEHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000469014348 566753403 /nfs/dbraw/zinc/75/34/03/566753403.db2.gz QFEPZRFIONFWFJ-SNVBAGLBSA-N -1 3 383.285 3.090 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)CCC1 ZINC000516350126 566760315 /nfs/dbraw/zinc/76/03/15/566760315.db2.gz HKTVSYDGEBLUAP-UHFFFAOYSA-N -1 3 375.519 3.042 10 30 GGEEHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000427281928 566762971 /nfs/dbraw/zinc/76/29/71/566762971.db2.gz RNHBLZJQTRBFCH-UHFFFAOYSA-N -1 3 376.400 3.061 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cc1C#N ZINC000427295119 566764875 /nfs/dbraw/zinc/76/48/75/566764875.db2.gz IEAAYGGASHBKDF-UHFFFAOYSA-N -1 3 384.230 3.273 10 30 GGEEHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(Cl)c1Cl ZINC000610262986 566820633 /nfs/dbraw/zinc/82/06/33/566820633.db2.gz VJFFHFHHGBHIBL-UHFFFAOYSA-N -1 3 389.235 3.491 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c(C(F)(F)F)c1 ZINC000451608585 566850400 /nfs/dbraw/zinc/85/04/00/566850400.db2.gz OBWNJEKNNZSUIG-UHFFFAOYSA-N -1 3 376.400 3.062 10 30 GGEEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451731155 566870434 /nfs/dbraw/zinc/87/04/34/566870434.db2.gz CKKYIJNHMTUINU-RYUDHWBXSA-N -1 3 378.475 3.049 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000451738139 566872345 /nfs/dbraw/zinc/87/23/45/566872345.db2.gz SBSVYRIZAJRIIF-UWVGGRQHSA-N -1 3 377.691 3.463 10 30 GGEEHM C=C(C)[C@H](CC(=O)Nc1cc(I)ccc1[O-])OCC ZINC000611130139 566890682 /nfs/dbraw/zinc/89/06/82/566890682.db2.gz WEAPELGXEFUUNK-ZDUSSCGKSA-N -1 3 375.206 3.307 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c(Cl)c1 ZINC000563783285 566915852 /nfs/dbraw/zinc/91/58/52/566915852.db2.gz DEFAMOPSEGBVCX-WBVHZDCISA-N -1 3 376.865 3.410 10 30 GGEEHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000452043738 566926081 /nfs/dbraw/zinc/92/60/81/566926081.db2.gz QHXSQCIJDZMBIQ-UHFFFAOYSA-N -1 3 392.315 3.109 10 30 GGEEHM N#CCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000429979825 566973120 /nfs/dbraw/zinc/97/31/20/566973120.db2.gz LGYCZFJPJVQVPM-UHFFFAOYSA-N -1 3 397.216 3.440 10 30 GGEEHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1ccnc(OC(F)F)c1 ZINC000633731228 566985777 /nfs/dbraw/zinc/98/57/77/566985777.db2.gz KWWPGJYHCNCWCF-UHFFFAOYSA-N -1 3 390.240 3.441 10 30 GGEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036565 567004803 /nfs/dbraw/zinc/00/48/03/567004803.db2.gz JTMKUCGEXHXIFF-GOEBONIOSA-N -1 3 382.551 3.066 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(F)c1 ZINC000614839288 567143108 /nfs/dbraw/zinc/14/31/08/567143108.db2.gz SYJZBDJPBBCZEU-UHFFFAOYSA-N -1 3 376.306 3.334 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c(Cl)c1 ZINC000432293693 567145304 /nfs/dbraw/zinc/14/53/04/567145304.db2.gz KUAUPVJCRGQHSK-UHFFFAOYSA-N -1 3 389.786 3.146 10 30 GGEEHM N#Cc1cscc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000433233043 567235324 /nfs/dbraw/zinc/23/53/24/567235324.db2.gz FEDAYLXUEYIRLP-UHFFFAOYSA-N -1 3 388.250 3.274 10 30 GGEEHM C=CCOc1c(Br)cc(CNCc2ncccc2[O-])cc1OC ZINC000475342374 567242473 /nfs/dbraw/zinc/24/24/73/567242473.db2.gz LJCAMYFPDBYPDS-UHFFFAOYSA-N -1 3 379.254 3.413 10 30 GGEEHM C=CCC1(C(=O)Nc2cc(I)ccc2[O-])CCOCC1 ZINC000591773864 567297037 /nfs/dbraw/zinc/29/70/37/567297037.db2.gz MIAGQHNTLONMIW-UHFFFAOYSA-N -1 3 387.217 3.308 10 30 GGEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593525409 567421147 /nfs/dbraw/zinc/42/11/47/567421147.db2.gz FTXHSOYOJNDPMR-KRWDZBQOSA-N -1 3 378.475 3.067 10 30 GGEEHM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593531767 567421890 /nfs/dbraw/zinc/42/18/90/567421890.db2.gz HOXWUVIJJWLGLU-LBPRGKRZSA-N -1 3 377.491 3.083 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000593535956 567422329 /nfs/dbraw/zinc/42/23/29/567422329.db2.gz RFVLUJHYRCRQHG-UHFFFAOYSA-N -1 3 396.921 3.300 10 30 GGEEHM CC(C)(C)OC(=O)c1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593574086 567425577 /nfs/dbraw/zinc/42/55/77/567425577.db2.gz YGYCHSHPIXQHIL-UHFFFAOYSA-N -1 3 378.475 3.054 10 30 GGEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568076 567425626 /nfs/dbraw/zinc/42/56/26/567425626.db2.gz UVWCUXNXGFPKEI-BBRMVZONSA-N -1 3 399.900 3.136 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000593575070 567425658 /nfs/dbraw/zinc/42/56/58/567425658.db2.gz FLMWYZIUTGGTOH-CQSZACIVSA-N -1 3 376.507 3.287 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CN1CCCCC1)c1ccccc1 ZINC000593583663 567426353 /nfs/dbraw/zinc/42/63/53/567426353.db2.gz WPKQHRNZMCWCHC-MRXNPFEDSA-N -1 3 375.519 3.125 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000593605978 567428455 /nfs/dbraw/zinc/42/84/55/567428455.db2.gz NCUWWTBOJSQBIS-KRWDZBQOSA-N -1 3 376.503 3.192 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000593604297 567428562 /nfs/dbraw/zinc/42/85/62/567428562.db2.gz PVLCNYQJSYPTLH-UHFFFAOYSA-N -1 3 388.392 3.486 10 30 GGEEHM N#CCCCOc1cccnc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000550138222 567429555 /nfs/dbraw/zinc/42/95/55/567429555.db2.gz BUQVBORFPWFEIG-UHFFFAOYSA-N -1 3 390.237 3.413 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCCC1 ZINC000593623473 567429614 /nfs/dbraw/zinc/42/96/14/567429614.db2.gz MHHAEGCVSKMRPM-UHFFFAOYSA-N -1 3 394.294 3.360 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCCC1 ZINC000593623709 567430097 /nfs/dbraw/zinc/43/00/97/567430097.db2.gz NZBBNOUFAOFCKI-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000593622953 567429929 /nfs/dbraw/zinc/42/99/29/567429929.db2.gz FIUWDTNVCHGFLF-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM C[C@@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])n1cnc(C#N)n1 ZINC000594380815 567471498 /nfs/dbraw/zinc/47/14/98/567471498.db2.gz AGHHFBPSQXXVAY-VIFPVBQESA-N -1 3 392.257 3.115 10 30 GGEEHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC000478687898 567475538 /nfs/dbraw/zinc/47/55/38/567475538.db2.gz AGJWICIWBMSUKK-UHFFFAOYSA-N -1 3 386.763 3.077 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC000619753357 567479045 /nfs/dbraw/zinc/47/90/45/567479045.db2.gz XZBMPSRXWXBEQG-UHFFFAOYSA-N -1 3 399.255 3.130 10 30 GGEEHM Cc1sc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)cc1[N+](=O)[O-] ZINC000594481986 567480367 /nfs/dbraw/zinc/48/03/67/567480367.db2.gz PQXGWKWSXJJTFM-UHFFFAOYSA-N -1 3 377.447 3.194 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594486592 567480818 /nfs/dbraw/zinc/48/08/18/567480818.db2.gz BSHIWOPUXMRXJN-CQSZACIVSA-N -1 3 399.310 3.091 10 30 GGEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727554 567505335 /nfs/dbraw/zinc/50/53/35/567505335.db2.gz PZJVCQOEVGLBPQ-NSHDSACASA-N -1 3 383.720 3.026 10 30 GGEEHM N#CCC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000437831360 567510304 /nfs/dbraw/zinc/51/03/04/567510304.db2.gz BAJRULAGBGCJFL-UHFFFAOYSA-N -1 3 394.656 3.368 10 30 GGEEHM N#CCC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CC1 ZINC000437831360 567510310 /nfs/dbraw/zinc/51/03/10/567510310.db2.gz BAJRULAGBGCJFL-UHFFFAOYSA-N -1 3 394.656 3.368 10 30 GGEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594856875 567520546 /nfs/dbraw/zinc/52/05/46/567520546.db2.gz JVBZUQXZYNYECP-GFCCVEGCSA-N -1 3 379.226 3.034 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)c(Cl)c1 ZINC000594851509 567521150 /nfs/dbraw/zinc/52/11/50/567521150.db2.gz BBJZUGKBIVRQRI-HOTGVXAUSA-N -1 3 376.865 3.063 10 30 GGEEHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594869358 567521872 /nfs/dbraw/zinc/52/18/72/567521872.db2.gz HZTSNCIJRPTZCB-UHFFFAOYSA-N -1 3 387.299 3.210 10 30 GGEEHM N#C[C@@H](c1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000595290143 567551373 /nfs/dbraw/zinc/55/13/73/567551373.db2.gz VLENNMQIANTDHW-INIZCTEOSA-N -1 3 395.937 3.409 10 30 GGEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353081 567557214 /nfs/dbraw/zinc/55/72/14/567557214.db2.gz HZLSACFVTKLJAI-QZTJIDSGSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355115 567557325 /nfs/dbraw/zinc/55/73/25/567557325.db2.gz SBJVMIYVWSUYQI-MSOLQXFVSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352189 567558284 /nfs/dbraw/zinc/55/82/84/567558284.db2.gz ANCMQGSPVUKUQM-MSOLQXFVSA-N -1 3 378.881 3.248 10 30 GGEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000530154452 567575977 /nfs/dbraw/zinc/57/59/77/567575977.db2.gz RGORIIXPKHBBJX-AWEZNQCLSA-N -1 3 380.388 3.200 10 30 GGEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701333 567638736 /nfs/dbraw/zinc/63/87/36/567638736.db2.gz GFLVBBHHJCOHDO-INIZCTEOSA-N -1 3 383.242 3.355 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000553455870 567654751 /nfs/dbraw/zinc/65/47/51/567654751.db2.gz CKGXTENMOWVKJO-DOMZBBRYSA-N -1 3 377.263 3.155 10 30 GGEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2sccc2Br)c(F)c1 ZINC000481066552 567655425 /nfs/dbraw/zinc/65/54/25/567655425.db2.gz CCYSYRWVPRGGAM-UHFFFAOYSA-N -1 3 389.271 3.141 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000443224835 567741040 /nfs/dbraw/zinc/74/10/40/567741040.db2.gz JLJXDEWWHFLKAH-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM CCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@H](C)C#N ZINC000598361895 567758752 /nfs/dbraw/zinc/75/87/52/567758752.db2.gz RTODWCBQUXQMAG-MRVPVSSYSA-N -1 3 382.645 3.318 10 30 GGEEHM CCN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@H](C)C#N ZINC000598361895 567758753 /nfs/dbraw/zinc/75/87/53/567758753.db2.gz RTODWCBQUXQMAG-MRVPVSSYSA-N -1 3 382.645 3.318 10 30 GGEEHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000048234419 570221013 /nfs/dbraw/zinc/22/10/13/570221013.db2.gz ZPRFGISJWVEVRL-LLVKDONJSA-N -1 3 399.348 3.032 10 30 GGEEHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000048234419 570221016 /nfs/dbraw/zinc/22/10/16/570221016.db2.gz ZPRFGISJWVEVRL-LLVKDONJSA-N -1 3 399.348 3.032 10 30 GGEEHM COc1ccc(/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000020248034 570250127 /nfs/dbraw/zinc/25/01/27/570250127.db2.gz ODNUDZAJMYYPQF-DVSFIDLUSA-N -1 3 386.429 3.315 10 30 GGEEHM COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)OC3CCCCC3)[n-]2)cc1 ZINC000009695127 570560729 /nfs/dbraw/zinc/56/07/29/570560729.db2.gz QYQJPVNPNLSOTF-YBFXNURJSA-N -1 3 389.481 3.227 10 30 GGEEHM COc1ccc(C=NNc2nnc(SCC(=O)OC3CCCCC3)[n-]2)cc1 ZINC000009695127 570560732 /nfs/dbraw/zinc/56/07/32/570560732.db2.gz QYQJPVNPNLSOTF-YBFXNURJSA-N -1 3 389.481 3.227 10 30 GGEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)ccc1F ZINC000045319337 1404098531 /nfs/dbraw/zinc/09/85/31/1404098531.db2.gz DOPZJSGNDQZSJC-AWEZNQCLSA-N -1 3 376.453 3.123 10 30 GGEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000114673873 1412493459 /nfs/dbraw/zinc/49/34/59/1412493459.db2.gz BCBYIMUMVTYIKT-HOTGVXAUSA-N -1 3 385.489 3.281 10 30 GGEEHM C=CCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccc(OC)cc1 ZINC000254712188 1433871687 /nfs/dbraw/zinc/87/16/87/1433871687.db2.gz CGYPFYLHABZPLX-UHFFFAOYSA-N -1 3 381.457 3.448 10 30 GGEEHM C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033274693 518884510 /nfs/dbraw/zinc/88/45/10/518884510.db2.gz NDOGMBWCEBFVMJ-UHFFFAOYSA-N -1 3 384.501 3.438 10 30 GGEEHM C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2)CC1 ZINC000033274695 518884647 /nfs/dbraw/zinc/88/46/47/518884647.db2.gz RMVUHLDOCFKCFT-UHFFFAOYSA-N -1 3 384.501 3.384 10 30 GGEEHM C=CCn1c(SC(C(C)=O)=C(C)[O-])nc2sc3c(c2c1=O)CCCC3 ZINC000101404448 519198302 /nfs/dbraw/zinc/19/83/02/519198302.db2.gz NZMGTHVJOIDMFT-UHFFFAOYSA-N -1 3 376.503 3.162 10 30 GGEEHM CCCOc1ccc(CNC(=S)N/N=C\c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000058983056 520364241 /nfs/dbraw/zinc/36/42/41/520364241.db2.gz XDEMIEYOEIWOOH-NDENLUEZSA-N -1 3 388.449 3.087 10 30 GGEEHM COc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1[O-] ZINC000096765523 521981213 /nfs/dbraw/zinc/98/12/13/521981213.db2.gz QOJUBCRZCSADCX-UTCJRWHESA-N -1 3 387.407 3.281 10 30 GGEEHM CSc1noc(-c2ccc(S(=O)(=O)[N-]Cc3ccccc3)s2)c1C#N ZINC000003120110 564193233 /nfs/dbraw/zinc/19/32/33/564193233.db2.gz VAPVLGVUPAWXQU-UHFFFAOYSA-N -1 3 391.499 3.475 10 30 GGEEHM CCOC(=O)CSc1nnc([N-][NH+]=C(C)c2ccc(Br)cc2)[n-]1 ZINC000020167742 564305343 /nfs/dbraw/zinc/30/53/43/564305343.db2.gz JRUWHPTYZNKTHV-RQZCQDPDSA-N -1 3 398.286 3.059 10 30 GGEEHM CC(C)(C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000120893251 564342003 /nfs/dbraw/zinc/34/20/03/564342003.db2.gz CMERKWKFOXJSST-UHFFFAOYSA-N -1 3 386.296 3.153 10 30 GGEEHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000123730211 564459682 /nfs/dbraw/zinc/45/96/82/564459682.db2.gz OGKWTYNBPSGMEH-UHFFFAOYSA-N -1 3 385.228 3.437 10 30 GGEEHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C#N)cc1Br ZINC000127302629 564580153 /nfs/dbraw/zinc/58/01/53/564580153.db2.gz JAZPJIPFXHKWKX-UHFFFAOYSA-N -1 3 396.104 3.101 10 30 GGEEHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCCCC2)no1 ZINC000056037195 564637929 /nfs/dbraw/zinc/63/79/29/564637929.db2.gz VQXYIZLSLQSSKF-UHFFFAOYSA-N -1 3 380.857 3.041 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000130517614 564684895 /nfs/dbraw/zinc/68/48/95/564684895.db2.gz UXIWEKWLUCVVDI-NHYWBVRUSA-N -1 3 387.299 3.208 10 30 GGEEHM O=C1[N-]C(=Cc2ccc(Br)cc2)C(=O)C1=CNCc1ccccc1 ZINC000104251673 564953958 /nfs/dbraw/zinc/95/39/58/564953958.db2.gz IJGYTFDJDWWEMP-PVHNWZPTSA-N -1 3 383.245 3.163 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000110251867 565038160 /nfs/dbraw/zinc/03/81/60/565038160.db2.gz QVOVDWRQKYVGFM-NSHDSACASA-N -1 3 378.837 3.038 10 30 GGEEHM C=CCN(CC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112632256 565065328 /nfs/dbraw/zinc/06/53/28/565065328.db2.gz GJQKSUNTNQCIMW-UHFFFAOYSA-N -1 3 389.171 3.481 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000156704043 565102499 /nfs/dbraw/zinc/10/24/99/565102499.db2.gz HBQVELOTOLAKRP-UHFFFAOYSA-N -1 3 375.881 3.159 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000156936718 565111939 /nfs/dbraw/zinc/11/19/39/565111939.db2.gz JEEFQZDWHUJUHF-UHFFFAOYSA-N -1 3 378.881 3.487 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000157136687 565119758 /nfs/dbraw/zinc/11/97/58/565119758.db2.gz MKTMGHMCOJOUDE-VIFPVBQESA-N -1 3 375.397 3.382 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000157832570 565145464 /nfs/dbraw/zinc/14/54/64/565145464.db2.gz LTXMBMAAQYPKHM-NSHDSACASA-N -1 3 375.397 3.463 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000371642139 565202967 /nfs/dbraw/zinc/20/29/67/565202967.db2.gz LRCBJMGZTYKTQA-YJBOKZPZSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000170940597 565399251 /nfs/dbraw/zinc/39/92/51/565399251.db2.gz XAAGTJXBWZFXBW-UHFFFAOYSA-N -1 3 376.306 3.334 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC000170940638 565399367 /nfs/dbraw/zinc/39/93/67/565399367.db2.gz CBLBDMJOSQVDDO-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1snc(C)c1C#N ZINC000298824538 565431121 /nfs/dbraw/zinc/43/11/21/565431121.db2.gz YWWLDHNTLKJFBM-UHFFFAOYSA-N -1 3 378.435 3.222 10 30 GGEEHM C=CCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000303991604 565576199 /nfs/dbraw/zinc/57/61/99/565576199.db2.gz YEKARGLGMBDCJF-UHFFFAOYSA-N -1 3 383.105 3.456 10 30 GGEEHM C[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000513 565578973 /nfs/dbraw/zinc/57/89/73/565578973.db2.gz JMRRMYJTYBOEER-AWEZNQCLSA-N -1 3 377.897 3.010 10 30 GGEEHM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(F)cc1Br ZINC000320055121 565600465 /nfs/dbraw/zinc/60/04/65/565600465.db2.gz ZJOCEBGUDKJOBM-UHFFFAOYSA-N -1 3 384.230 3.273 10 30 GGEEHM CC1(C)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@H]1C#N ZINC000408440504 565609744 /nfs/dbraw/zinc/60/97/44/565609744.db2.gz CNDDPDKALYRMNV-HNNXBMFYSA-N -1 3 388.265 3.445 10 30 GGEEHM CC1(C)CCCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@H]1C#N ZINC000408440504 565609747 /nfs/dbraw/zinc/60/97/47/565609747.db2.gz CNDDPDKALYRMNV-HNNXBMFYSA-N -1 3 388.265 3.445 10 30 GGEEHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180185193 566041407 /nfs/dbraw/zinc/04/14/07/566041407.db2.gz PNUQHIXWXMBHNE-INIZCTEOSA-N -1 3 386.807 3.156 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000416436264 566068143 /nfs/dbraw/zinc/06/81/43/566068143.db2.gz BZRPQRMJBNOKBV-MRXNPFEDSA-N -1 3 392.278 3.145 10 30 GGEEHM COC(=O)c1ccc(NN=Cc2cc(Br)cc(OC)c2[O-])cc1 ZINC000252627623 566116208 /nfs/dbraw/zinc/11/62/08/566116208.db2.gz RYFZGZSJDGFGNZ-UHFFFAOYSA-N -1 3 379.210 3.396 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000182873435 566227934 /nfs/dbraw/zinc/22/79/34/566227934.db2.gz XPNVVJXAKPOVJX-CQSZACIVSA-N -1 3 376.306 3.418 10 30 GGEEHM N#Cc1cccc(CS(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000462618310 566333374 /nfs/dbraw/zinc/33/33/74/566333374.db2.gz LRKUGNGDFYSRPN-AWEZNQCLSA-N -1 3 383.256 3.418 10 30 GGEEHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000600654604 566356087 /nfs/dbraw/zinc/35/60/87/566356087.db2.gz BFCUHTWWGWMGEW-AWEZNQCLSA-N -1 3 378.372 3.014 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000536757295 566399797 /nfs/dbraw/zinc/39/97/97/566399797.db2.gz MNRGUHJEQVWWST-RDTXWAMCSA-N -1 3 376.865 3.268 10 30 GGEEHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000558108600 566450337 /nfs/dbraw/zinc/45/03/37/566450337.db2.gz KKBBDYIEFUQMRR-QGZVFWFLSA-N -1 3 382.844 3.158 10 30 GGEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000578007798 566482022 /nfs/dbraw/zinc/48/20/22/566482022.db2.gz KULSLILMXRWYJK-JSGCOSHPSA-N -1 3 384.910 3.333 10 30 GGEEHM Cc1nsc([N-]C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1C#N ZINC000485472750 566501107 /nfs/dbraw/zinc/50/11/07/566501107.db2.gz XFQUKXGSXIATHK-UHFFFAOYSA-N -1 3 376.804 3.257 10 30 GGEEHM C=CC(C)(C)CCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000628313722 566543908 /nfs/dbraw/zinc/54/39/08/566543908.db2.gz YGSGUAIKMWIQFD-UHFFFAOYSA-N -1 3 378.416 3.409 10 30 GGEEHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578917325 566564171 /nfs/dbraw/zinc/56/41/71/566564171.db2.gz OJJAPUSTSUOQHK-YGRLFVJLSA-N -1 3 394.718 3.362 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1C#N ZINC000427325383 566766284 /nfs/dbraw/zinc/76/62/84/566766284.db2.gz VQKGTRYTMHGHCF-UHFFFAOYSA-N -1 3 388.193 3.103 10 30 GGEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000562236441 566773782 /nfs/dbraw/zinc/77/37/82/566773782.db2.gz JNSVPDDAGWCHRK-LLVKDONJSA-N -1 3 383.720 3.026 10 30 GGEEHM N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Br ZINC000609592250 566774008 /nfs/dbraw/zinc/77/40/08/566774008.db2.gz WXXPKHICNBRCGE-MRXNPFEDSA-N -1 3 382.217 3.285 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c(F)c1 ZINC000610269319 566820292 /nfs/dbraw/zinc/82/02/92/566820292.db2.gz QEPTUJIQVYLKGD-LBPRGKRZSA-N -1 3 387.219 3.416 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000610338563 566825497 /nfs/dbraw/zinc/82/54/97/566825497.db2.gz GVWLBUBREHUOEV-NSHDSACASA-N -1 3 395.278 3.369 10 30 GGEEHM N#CCc1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610485636 566833751 /nfs/dbraw/zinc/83/37/51/566833751.db2.gz SRCAVNPTOYIXQJ-UHFFFAOYSA-N -1 3 378.169 3.315 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cc(C(F)(F)F)on1 ZINC000490456335 566853822 /nfs/dbraw/zinc/85/38/22/566853822.db2.gz ZCNOBYAQJGLPJT-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM N#CCc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000611156630 566894978 /nfs/dbraw/zinc/89/49/78/566894978.db2.gz MSMPDPLLPIQNLN-UHFFFAOYSA-N -1 3 378.169 3.315 10 30 GGEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000451899801 566902722 /nfs/dbraw/zinc/90/27/22/566902722.db2.gz KYVHEVTVKKIYAU-MNOVXSKESA-N -1 3 380.691 3.114 10 30 GGEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000451905680 566904689 /nfs/dbraw/zinc/90/46/89/566904689.db2.gz SDBVBSPKPREBMO-NEPJUHHUSA-N -1 3 380.691 3.114 10 30 GGEEHM Cc1nccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1Cl ZINC000611567008 566927287 /nfs/dbraw/zinc/92/72/87/566927287.db2.gz HDEPPRHLDAZTLL-UHFFFAOYSA-N -1 3 375.759 3.157 10 30 GGEEHM C=CCCCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564503835 566979190 /nfs/dbraw/zinc/97/91/90/566979190.db2.gz HHDMPGAJXMXPGA-UHFFFAOYSA-N -1 3 398.834 3.062 10 30 GGEEHM Cc1[nH]nc(C(F)(F)F)c1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633728703 566984038 /nfs/dbraw/zinc/98/40/38/566984038.db2.gz AGSMKQZATNHVAM-UHFFFAOYSA-N -1 3 395.235 3.495 10 30 GGEEHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000471975930 566992103 /nfs/dbraw/zinc/99/21/03/566992103.db2.gz HAHCOKAGJLJSBF-UHFFFAOYSA-N -1 3 382.800 3.247 10 30 GGEEHM N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Br)c1 ZINC000496288589 567074396 /nfs/dbraw/zinc/07/43/96/567074396.db2.gz BUGPFMREMUAPOM-MRXNPFEDSA-N -1 3 382.217 3.285 10 30 GGEEHM C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000431328506 567075422 /nfs/dbraw/zinc/07/54/22/567075422.db2.gz NHGAWMHDNYLGSC-UHFFFAOYSA-N -1 3 389.249 3.252 10 30 GGEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000588132710 567115913 /nfs/dbraw/zinc/11/59/13/567115913.db2.gz FPTHSUWTMLVNBI-UHFFFAOYSA-N -1 3 385.205 3.188 10 30 GGEEHM N#CCc1ccnc(NC(=O)c2cnc3ccc(Br)cc3c2[O-])c1 ZINC000566048255 567121420 /nfs/dbraw/zinc/12/14/20/567121420.db2.gz XAKFJRKNGIDYAA-UHFFFAOYSA-N -1 3 383.205 3.004 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cccc(C(F)(F)F)n1 ZINC000432308053 567148709 /nfs/dbraw/zinc/14/87/09/567148709.db2.gz QDYUWUAVJNEGOY-UHFFFAOYSA-N -1 3 389.786 3.146 10 30 GGEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000546766112 567156760 /nfs/dbraw/zinc/15/67/60/567156760.db2.gz QHMAALWUYPJRBG-ZDUSSCGKSA-N -1 3 392.315 3.107 10 30 GGEEHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000589221596 567166830 /nfs/dbraw/zinc/16/68/30/567166830.db2.gz HTQLEYUJRZOXLX-CQSZACIVSA-N -1 3 376.400 3.006 10 30 GGEEHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC000589559570 567182901 /nfs/dbraw/zinc/18/29/01/567182901.db2.gz QEXKOHBVDMCCIN-UHFFFAOYSA-N -1 3 386.763 3.077 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000433098786 567222081 /nfs/dbraw/zinc/22/20/81/567222081.db2.gz XMDFXGIDIODCBQ-VIFPVBQESA-N -1 3 386.296 3.125 10 30 GGEEHM N#C[C@@]1(C(=O)Nc2cc(I)ccc2[O-])CC12CCCC2 ZINC000590666601 567237594 /nfs/dbraw/zinc/23/75/94/567237594.db2.gz BZARSZYBHGLFGY-OAHLLOKOSA-N -1 3 382.201 3.409 10 30 GGEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000616425543 567245907 /nfs/dbraw/zinc/24/59/07/567245907.db2.gz MOALPWUGYXKIIP-QGZVFWFLSA-N -1 3 382.844 3.158 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000476312023 567313786 /nfs/dbraw/zinc/31/37/86/567313786.db2.gz RBMBXXUFRRZWDT-OAVHHTNSSA-N -1 3 376.865 3.443 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c1 ZINC000476441038 567324944 /nfs/dbraw/zinc/32/49/44/567324944.db2.gz XRUXMHIWFZRHCO-UHFFFAOYSA-N -1 3 385.272 3.360 10 30 GGEEHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435427506 567363446 /nfs/dbraw/zinc/36/34/46/567363446.db2.gz NEPDAFQNXRJZPJ-SNVBAGLBSA-N -1 3 385.308 3.292 10 30 GGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000548988393 567365678 /nfs/dbraw/zinc/36/56/78/567365678.db2.gz QGWVYEKMPJYEFW-UHFFFAOYSA-N -1 3 385.205 3.188 10 30 GGEEHM Cc1nccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593278794 567401828 /nfs/dbraw/zinc/40/18/28/567401828.db2.gz ZWDDOOBOKRFQEL-UHFFFAOYSA-N -1 3 394.294 3.176 10 30 GGEEHM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593280198 567403340 /nfs/dbraw/zinc/40/33/40/567403340.db2.gz GGYLGPHPAZMURK-UHFFFAOYSA-N -1 3 383.271 3.083 10 30 GGEEHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OCC ZINC000593524810 567420500 /nfs/dbraw/zinc/42/05/00/567420500.db2.gz AROBLPDIEAAMOQ-GFCCVEGCSA-N -1 3 380.491 3.457 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000593528549 567421280 /nfs/dbraw/zinc/42/12/80/567421280.db2.gz CYRYZZJXNNRBFB-NSHDSACASA-N -1 3 375.475 3.008 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccc(Cl)s1 ZINC000593545261 567422362 /nfs/dbraw/zinc/42/23/62/567422362.db2.gz REWZGLHJKKAZQV-GFCCVEGCSA-N -1 3 398.893 3.489 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593537640 567422382 /nfs/dbraw/zinc/42/23/82/567422382.db2.gz IRCGVNXWHYSMOE-LBPRGKRZSA-N -1 3 381.910 3.078 10 30 GGEEHM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593531764 567422683 /nfs/dbraw/zinc/42/26/83/567422683.db2.gz HOXWUVIJJWLGLU-GFCCVEGCSA-N -1 3 377.491 3.083 10 30 GGEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568079 567425097 /nfs/dbraw/zinc/42/50/97/567425097.db2.gz UVWCUXNXGFPKEI-XJKSGUPXSA-N -1 3 399.900 3.136 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000593575068 567425297 /nfs/dbraw/zinc/42/52/97/567425297.db2.gz FLMWYZIUTGGTOH-AWEZNQCLSA-N -1 3 376.507 3.287 10 30 GGEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568078 567425702 /nfs/dbraw/zinc/42/57/02/567425702.db2.gz UVWCUXNXGFPKEI-CZUORRHYSA-N -1 3 399.900 3.136 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000593605986 567428245 /nfs/dbraw/zinc/42/82/45/567428245.db2.gz NCUWWTBOJSQBIS-QGZVFWFLSA-N -1 3 376.503 3.192 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000593621149 567428437 /nfs/dbraw/zinc/42/84/37/567428437.db2.gz UCHHSIZUUFQAGU-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC1 ZINC000593623858 567429407 /nfs/dbraw/zinc/42/94/07/567429407.db2.gz RKJFQEVVUSSMPO-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000528547073 567435495 /nfs/dbraw/zinc/43/54/95/567435495.db2.gz MNHPEJWMTYFNNT-AWEZNQCLSA-N -1 3 388.276 3.039 10 30 GGEEHM N#CCCCCC(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000594283016 567467645 /nfs/dbraw/zinc/46/76/45/567467645.db2.gz ZBLMHQLBEMGTTG-UHFFFAOYSA-N -1 3 394.216 3.126 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594486591 567480046 /nfs/dbraw/zinc/48/00/46/567480046.db2.gz BSHIWOPUXMRXJN-AWEZNQCLSA-N -1 3 399.310 3.091 10 30 GGEEHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000503886780 567511397 /nfs/dbraw/zinc/51/13/97/567511397.db2.gz SXNXZHIJAUOPHO-UHFFFAOYSA-N -1 3 385.272 3.395 10 30 GGEEHM CO[C@@H](CC[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(F)(F)F ZINC000594778131 567511971 /nfs/dbraw/zinc/51/19/71/567511971.db2.gz GENVZHIQFJIOLI-ZDUSSCGKSA-N -1 3 392.424 3.327 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Br)CCCC1 ZINC000594792928 567513759 /nfs/dbraw/zinc/51/37/59/567513759.db2.gz DVNYZQPBVBJWBY-UHFFFAOYSA-N -1 3 375.263 3.092 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCCC1 ZINC000594870026 567522103 /nfs/dbraw/zinc/52/21/03/567522103.db2.gz YBAXEHDGXMHWSH-UHFFFAOYSA-N -1 3 375.263 3.341 10 30 GGEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354704 567557527 /nfs/dbraw/zinc/55/75/27/567557527.db2.gz QKQQTCMGSJYRHX-MSOLQXFVSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353189 567557866 /nfs/dbraw/zinc/55/78/66/567557866.db2.gz HZLSACFVTKLJAI-ROUUACIJSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354705 567558193 /nfs/dbraw/zinc/55/81/93/567558193.db2.gz QKQQTCMGSJYRHX-QZTJIDSGSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353781 567558272 /nfs/dbraw/zinc/55/82/72/567558272.db2.gz MIMYSYXRDZJJPU-QZTJIDSGSA-N -1 3 378.881 3.248 10 30 GGEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(F)c1 ZINC000480687443 567621266 /nfs/dbraw/zinc/62/12/66/567621266.db2.gz HINMXZYUZBSIDK-UHFFFAOYSA-N -1 3 377.422 3.033 10 30 GGEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000506701334 567638709 /nfs/dbraw/zinc/63/87/09/567638709.db2.gz GFLVBBHHJCOHDO-MRXNPFEDSA-N -1 3 383.242 3.355 10 30 GGEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000481079885 567657341 /nfs/dbraw/zinc/65/73/41/567657341.db2.gz XNJLOFIKLLRHNL-KRWDZBQOSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000553533092 567662306 /nfs/dbraw/zinc/66/23/06/567662306.db2.gz ILQVPDABRVJVBH-INIZCTEOSA-N -1 3 392.278 3.145 10 30 GGEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000507312008 567673544 /nfs/dbraw/zinc/67/35/44/567673544.db2.gz IMRLAQBQKVKHNP-QGZVFWFLSA-N -1 3 397.269 3.033 10 30 GGEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000507312007 567673682 /nfs/dbraw/zinc/67/36/82/567673682.db2.gz IMRLAQBQKVKHNP-KRWDZBQOSA-N -1 3 397.269 3.033 10 30 GGEEHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443082431 567730334 /nfs/dbraw/zinc/73/03/34/567730334.db2.gz AIHYMECVAPTNBL-NSHDSACASA-N -1 3 380.853 3.268 10 30 GGEEHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000443230110 567742664 /nfs/dbraw/zinc/74/26/64/567742664.db2.gz WAQPCFGFLTVXHI-UHFFFAOYSA-N -1 3 377.329 3.427 10 30 GGEEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526514 570325275 /nfs/dbraw/zinc/32/52/75/570325275.db2.gz VCEMBBDBGUJMOH-LBPRGKRZSA-N -1 3 382.449 3.069 10 30 GGEEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526514 570325278 /nfs/dbraw/zinc/32/52/78/570325278.db2.gz VCEMBBDBGUJMOH-LBPRGKRZSA-N -1 3 382.449 3.069 10 30 GGEEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526514 570325279 /nfs/dbraw/zinc/32/52/79/570325279.db2.gz VCEMBBDBGUJMOH-LBPRGKRZSA-N -1 3 382.449 3.069 10 30 GGEEHM CC1(C)OC(=O)C(=N[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000003169989 570331280 /nfs/dbraw/zinc/33/12/80/570331280.db2.gz PJCXTWNAOUKIFL-UHFFFAOYSA-N -1 3 384.232 3.328 10 30 GGEEHM N#Cc1ccc(-c2ccc(OCC(=O)N3NC=C[C@]3([O-])C(F)(F)F)cc2)cc1 ZINC000005505071 570615830 /nfs/dbraw/zinc/61/58/30/570615830.db2.gz QHHNTJYQWZFBNF-SFHVURJKSA-N -1 3 389.333 3.073 10 30 GGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2s1 ZINC000011178188 570724902 /nfs/dbraw/zinc/72/49/02/570724902.db2.gz UIKFZYRJADLNSY-UHFFFAOYSA-N -1 3 394.500 3.155 10 30 GGEEHM O=c1c(C=NC[C@@H]2CCCO2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000102643653 570856833 /nfs/dbraw/zinc/85/68/33/570856833.db2.gz ITCGAWSXFRCAGK-UQXWMBKDSA-N -1 3 396.394 3.392 10 30 GGEEHM CCOC([O-])=NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003450668 1398348900 /nfs/dbraw/zinc/34/89/00/1398348900.db2.gz LKCXJJOLBNGRGR-UHFFFAOYSA-N -1 3 384.413 3.139 10 30 GGEEHM CCOC(=O)[N-]C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003450668 1398348912 /nfs/dbraw/zinc/34/89/12/1398348912.db2.gz LKCXJJOLBNGRGR-UHFFFAOYSA-N -1 3 384.413 3.139 10 30 GGEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1F ZINC000045319341 1404098187 /nfs/dbraw/zinc/09/81/87/1404098187.db2.gz DOPZJSGNDQZSJC-CQSZACIVSA-N -1 3 376.453 3.123 10 30 GGEEHM N#Cc1c(N)n[nH]c1CCCCCN=Cc1cc(Br)ccc1[O-] ZINC000097931231 231003037 /nfs/dbraw/zinc/00/30/37/231003037.db2.gz KHMSIPBXIRGELX-KEBDBYFISA-N -1 3 376.258 3.164 10 30 GGEEHM COc1cc(NC(=S)N/N=C/c2ccc(O)cc2[O-])c(OC)cc1Cl ZINC000001048191 209293919 /nfs/dbraw/zinc/29/39/19/209293919.db2.gz UEDZLVYOFSFKJP-QGMBQPNBSA-N -1 3 381.841 3.089 10 30 GGEEHM CC/N=C1\S/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)N1CC ZINC000033349902 520206823 /nfs/dbraw/zinc/20/68/23/520206823.db2.gz IGFDMHMHOCBCGD-XJNJCNPFSA-N -1 3 385.283 3.475 10 30 GGEEHM CCN(CC)S(=O)(=O)c1ccc(C(C#N)=C([O-])c2ccc(C)c(C)c2)nc1 ZINC000058157922 520810263 /nfs/dbraw/zinc/81/02/63/520810263.db2.gz XJXVDRUDHLVFDV-SFHVURJKSA-N -1 3 385.489 3.219 10 30 GGEEHM COc1ccc(/C=N/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccccc2)cc1 ZINC000013146995 523440774 /nfs/dbraw/zinc/44/07/74/523440774.db2.gz ZNMVGHHYRVOWAY-CVKHWMOXSA-N -1 3 383.429 3.008 10 30 GGEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000121099116 564353218 /nfs/dbraw/zinc/35/32/18/564353218.db2.gz YEHRTRQPXYOWJM-HNNXBMFYSA-N -1 3 378.416 3.043 10 30 GGEEHM C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151589463 564928466 /nfs/dbraw/zinc/92/84/66/564928466.db2.gz IQTICRKYYYYXCO-LLVKDONJSA-N -1 3 375.222 3.110 10 30 GGEEHM O=C1[N-]C(=Cc2ccc(Br)cc2)C(=O)C1=CNCc1ccccc1 ZINC000104251662 564954041 /nfs/dbraw/zinc/95/40/41/564954041.db2.gz IJGYTFDJDWWEMP-VMHPKHSQSA-N -1 3 383.245 3.163 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000155184906 565063787 /nfs/dbraw/zinc/06/37/87/565063787.db2.gz OMPLIIWBZJZVPK-VIFPVBQESA-N -1 3 386.296 3.125 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c(Cl)c1 ZINC000183612412 565082392 /nfs/dbraw/zinc/08/23/92/565082392.db2.gz WUQBZHJFXIBWAD-UHFFFAOYSA-N -1 3 378.881 3.487 10 30 GGEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cs1 ZINC000157356554 565129710 /nfs/dbraw/zinc/12/97/10/565129710.db2.gz JFLQDJQHADTGDZ-UHFFFAOYSA-N -1 3 375.397 3.074 10 30 GGEEHM O=C(CCOCC(F)(F)C(F)(F)F)[N-][C@H](c1nccs1)C(F)(F)F ZINC000294067785 565197765 /nfs/dbraw/zinc/19/77/65/565197765.db2.gz ZOYGURLLYBNOOS-SSDOTTSWSA-N -1 3 386.264 3.467 10 30 GGEEHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186438750 565260624 /nfs/dbraw/zinc/26/06/24/565260624.db2.gz SKGGCEQKCQPBIB-VIFPVBQESA-N -1 3 385.205 3.438 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000295674110 565280522 /nfs/dbraw/zinc/28/05/22/565280522.db2.gz HKWJZYDTSLWBPQ-ONGXEEELSA-N -1 3 377.691 3.463 10 30 GGEEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(Cl)cc1Cl ZINC000295696122 565281446 /nfs/dbraw/zinc/28/14/46/565281446.db2.gz JOEAKQREBKFAOK-UWVGGRQHSA-N -1 3 391.276 3.141 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000295860617 565290787 /nfs/dbraw/zinc/29/07/87/565290787.db2.gz XXOWFOJYTSESQG-UWVGGRQHSA-N -1 3 377.691 3.463 10 30 GGEEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000373735623 565299339 /nfs/dbraw/zinc/29/93/39/565299339.db2.gz ILTZJNKRAUBILN-WBMJQRKESA-N -1 3 381.548 3.043 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000170940582 565399502 /nfs/dbraw/zinc/39/95/02/565399502.db2.gz MYUCFMGIVCRNCE-UHFFFAOYSA-N -1 3 376.306 3.334 10 30 GGEEHM N#Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc2n1 ZINC000301763086 565509591 /nfs/dbraw/zinc/50/95/91/565509591.db2.gz ADVISEMZRIOCOC-UHFFFAOYSA-N -1 3 392.893 3.212 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)cc1C#N ZINC000386788522 565547638 /nfs/dbraw/zinc/54/76/38/565547638.db2.gz LOIGJLQKPBDFAE-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1C#N ZINC000320339236 565601883 /nfs/dbraw/zinc/60/18/83/565601883.db2.gz JFYCOYRJQYOACM-UHFFFAOYSA-N -1 3 388.193 3.103 10 30 GGEEHM CC1(C)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)[C@@H]1C#N ZINC000408440505 565609955 /nfs/dbraw/zinc/60/99/55/565609955.db2.gz CNDDPDKALYRMNV-OAHLLOKOSA-N -1 3 388.265 3.445 10 30 GGEEHM CC1(C)CCCN(C(=O)c2cnc3ccc(Br)cc3c2[O-])[C@@H]1C#N ZINC000408440505 565609958 /nfs/dbraw/zinc/60/99/58/565609958.db2.gz CNDDPDKALYRMNV-OAHLLOKOSA-N -1 3 388.265 3.445 10 30 GGEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000177657301 565865045 /nfs/dbraw/zinc/86/50/45/565865045.db2.gz AJUALIQIWHRHGE-UHFFFAOYSA-N -1 3 375.397 3.074 10 30 GGEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000284937263 565878889 /nfs/dbraw/zinc/87/88/89/565878889.db2.gz AGFOYPZHTUPBGS-LLVKDONJSA-N -1 3 383.720 3.026 10 30 GGEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000284937269 565879618 /nfs/dbraw/zinc/87/96/18/565879618.db2.gz AGFOYPZHTUPBGS-NSHDSACASA-N -1 3 383.720 3.026 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000416436263 566068775 /nfs/dbraw/zinc/06/87/75/566068775.db2.gz BZRPQRMJBNOKBV-INIZCTEOSA-N -1 3 392.278 3.145 10 30 GGEEHM Cn1cc(C#N)cc1-c1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000556328105 566284475 /nfs/dbraw/zinc/28/44/75/566284475.db2.gz NCFWEEPYCJARDR-UHFFFAOYSA-N -1 3 396.208 3.161 10 30 GGEEHM Cn1cc(C#N)cc1-c1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000556328105 566284486 /nfs/dbraw/zinc/28/44/86/566284486.db2.gz NCFWEEPYCJARDR-UHFFFAOYSA-N -1 3 396.208 3.161 10 30 GGEEHM Cn1cc(C#N)cc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556328105 566284496 /nfs/dbraw/zinc/28/44/96/566284496.db2.gz NCFWEEPYCJARDR-UHFFFAOYSA-N -1 3 396.208 3.161 10 30 GGEEHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265855 566285061 /nfs/dbraw/zinc/28/50/61/566285061.db2.gz WQVCHGGLRZKBFZ-MFKMUULPSA-N -1 3 394.718 3.362 10 30 GGEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000535847791 566332141 /nfs/dbraw/zinc/33/21/41/566332141.db2.gz JVJULGDJIRWGCN-OAHLLOKOSA-N -1 3 388.221 3.108 10 30 GGEEHM N#CCc1cccc2c1CCN(C(=O)Cc1ccc(Br)cc1[O-])C2 ZINC000600788551 566365206 /nfs/dbraw/zinc/36/52/06/566365206.db2.gz OJNHYQSCIFMTCS-UHFFFAOYSA-N -1 3 385.261 3.348 10 30 GGEEHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000510638544 566401450 /nfs/dbraw/zinc/40/14/50/566401450.db2.gz RJZDSSZTQUVDJA-HNNXBMFYSA-N -1 3 380.828 3.325 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000557811516 566422169 /nfs/dbraw/zinc/42/21/69/566422169.db2.gz DKDOBUCJXUVBJC-VIFPVBQESA-N -1 3 386.296 3.125 10 30 GGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccc(Br)c1C ZINC000577483550 566438582 /nfs/dbraw/zinc/43/85/82/566438582.db2.gz GRSITDGUYXDWRP-UHFFFAOYSA-N -1 3 389.253 3.313 10 30 GGEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000558076782 566447861 /nfs/dbraw/zinc/44/78/61/566447861.db2.gz RKGDPUXUHSYZJA-AWEZNQCLSA-N -1 3 383.256 3.418 10 30 GGEEHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000558108599 566450739 /nfs/dbraw/zinc/45/07/39/566450739.db2.gz KKBBDYIEFUQMRR-KRWDZBQOSA-N -1 3 382.844 3.158 10 30 GGEEHM C=C(C[N-]S(=O)(=O)c1cc(Br)ccc1OC)c1ccccc1 ZINC000672423583 566488589 /nfs/dbraw/zinc/48/85/89/566488589.db2.gz FPTXIJZQLICPGS-UHFFFAOYSA-N -1 3 382.279 3.449 10 30 GGEEHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424069365 566507872 /nfs/dbraw/zinc/50/78/72/566507872.db2.gz PKDZFIYDRKEPIE-LBPRGKRZSA-N -1 3 389.315 3.432 10 30 GGEEHM C=CCCC[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000538330516 566508638 /nfs/dbraw/zinc/50/86/38/566508638.db2.gz LBHNNPGUEQMTDL-ZDUSSCGKSA-N -1 3 382.507 3.294 10 30 GGEEHM C=CC[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000628482872 566560893 /nfs/dbraw/zinc/56/08/93/566560893.db2.gz AIMLUGDYDNEGSO-LBPRGKRZSA-N -1 3 391.320 3.086 10 30 GGEEHM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(Cl)c1 ZINC000486504195 566595338 /nfs/dbraw/zinc/59/53/38/566595338.db2.gz YIOOJGZEJNFNPW-UHFFFAOYSA-N -1 3 385.228 3.437 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000579409023 566606372 /nfs/dbraw/zinc/60/63/72/566606372.db2.gz YNCQUMONTCBIRV-CYBMUJFWSA-N -1 3 396.818 3.005 10 30 GGEEHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000487363744 566666512 /nfs/dbraw/zinc/66/65/12/566666512.db2.gz GQFGDURTNMNVBE-QGZVFWFLSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)ccc1F ZINC000488857642 566752881 /nfs/dbraw/zinc/75/28/81/566752881.db2.gz MOHDBVGVVAHSQL-UHFFFAOYSA-N -1 3 376.306 3.334 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000561990421 566755588 /nfs/dbraw/zinc/75/55/88/566755588.db2.gz LXRJSWKKSOXTEL-KRWDZBQOSA-N -1 3 375.881 3.438 10 30 GGEEHM N#Cc1csc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000562200187 566770851 /nfs/dbraw/zinc/77/08/51/566770851.db2.gz PETJWTSTPJDPMP-UHFFFAOYSA-N -1 3 376.869 3.224 10 30 GGEEHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000469335431 566783163 /nfs/dbraw/zinc/78/31/63/566783163.db2.gz PYPAILUMXMRQES-JTQLQIEISA-N -1 3 383.285 3.090 10 30 GGEEHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610082857 566804791 /nfs/dbraw/zinc/80/47/91/566804791.db2.gz MJPCWGSVMFTOBC-NSHDSACASA-N -1 3 397.269 3.369 10 30 GGEEHM C=CCC(C)(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000489793645 566809389 /nfs/dbraw/zinc/80/93/89/566809389.db2.gz CTWLRJFWIMTYPD-UHFFFAOYSA-N -1 3 382.507 3.152 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c(F)c1 ZINC000610269318 566819702 /nfs/dbraw/zinc/81/97/02/566819702.db2.gz QEPTUJIQVYLKGD-GFCCVEGCSA-N -1 3 387.219 3.416 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000610338562 566825296 /nfs/dbraw/zinc/82/52/96/566825296.db2.gz GVWLBUBREHUOEV-LLVKDONJSA-N -1 3 395.278 3.369 10 30 GGEEHM N#Cc1ccc(CCC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610485764 566834905 /nfs/dbraw/zinc/83/49/05/566834905.db2.gz DWTRUEJBCLMMHU-UHFFFAOYSA-N -1 3 392.196 3.440 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000517631793 566836372 /nfs/dbraw/zinc/83/63/72/566836372.db2.gz VJTUSVQOANWKMK-PBHICJAKSA-N -1 3 376.865 3.410 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000451733771 566872677 /nfs/dbraw/zinc/87/26/77/566872677.db2.gz JDXAVNZFNOAJNE-UWVGGRQHSA-N -1 3 377.691 3.463 10 30 GGEEHM N#CC1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000563856981 566923238 /nfs/dbraw/zinc/92/32/38/566923238.db2.gz SIAKIIPEUCERQX-UHFFFAOYSA-N -1 3 388.265 3.350 10 30 GGEEHM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1cnccc1C(F)(F)F ZINC000429914951 566966602 /nfs/dbraw/zinc/96/66/02/566966602.db2.gz WENIPDLFUSLTNS-UHFFFAOYSA-N -1 3 388.264 3.135 10 30 GGEEHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1cc(C(F)(F)F)[nH]n1 ZINC000633732186 566985706 /nfs/dbraw/zinc/98/57/06/566985706.db2.gz YSSWVSUWGWHCNG-UHFFFAOYSA-N -1 3 381.208 3.186 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)CCCC1 ZINC000545357728 567043557 /nfs/dbraw/zinc/04/35/57/567043557.db2.gz AGFVUUUCQMHSDR-LBPRGKRZSA-N -1 3 375.277 3.430 10 30 GGEEHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000521852057 567082180 /nfs/dbraw/zinc/08/21/80/567082180.db2.gz XZRMXEPYWFNJFL-UHFFFAOYSA-N -1 3 398.531 3.253 10 30 GGEEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000431619497 567095711 /nfs/dbraw/zinc/09/57/11/567095711.db2.gz ILHKBXCVKVKKCT-CQSZACIVSA-N -1 3 378.475 3.248 10 30 GGEEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1 ZINC000431631606 567097570 /nfs/dbraw/zinc/09/75/70/567097570.db2.gz RYUINDFQCXOSPN-HNNXBMFYSA-N -1 3 378.475 3.248 10 30 GGEEHM N#Cc1cc(C(=O)Nc2cc(I)ccc2[O-])ccc1F ZINC000586802061 567098453 /nfs/dbraw/zinc/09/84/53/567098453.db2.gz XQVKUIRTPDCSPG-UHFFFAOYSA-N -1 3 382.132 3.260 10 30 GGEEHM CC(C)[C@@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000588067109 567111483 /nfs/dbraw/zinc/11/14/83/567111483.db2.gz WDBSQSOTDZKFBN-GFCCVEGCSA-N -1 3 382.645 3.222 10 30 GGEEHM CC(C)[C@@H](C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000588067109 567111489 /nfs/dbraw/zinc/11/14/89/567111489.db2.gz WDBSQSOTDZKFBN-GFCCVEGCSA-N -1 3 382.645 3.222 10 30 GGEEHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(I)ccc1[O-] ZINC000615137545 567166379 /nfs/dbraw/zinc/16/63/79/567166379.db2.gz DQPTXRDPXIIJAL-AWEZNQCLSA-N -1 3 375.206 3.164 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000474581995 567180842 /nfs/dbraw/zinc/18/08/42/567180842.db2.gz VQDGZUXRJDBDBP-LLVKDONJSA-N -1 3 380.857 3.064 10 30 GGEEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000590760273 567245139 /nfs/dbraw/zinc/24/51/39/567245139.db2.gz KCRHYHQYNKLQJU-AAEUAGOBSA-N -1 3 387.299 3.208 10 30 GGEEHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1 ZINC000499417623 567246549 /nfs/dbraw/zinc/24/65/49/567246549.db2.gz HVKGEEHVGDIPIY-INIZCTEOSA-N -1 3 382.217 3.285 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccs1 ZINC000433872714 567279655 /nfs/dbraw/zinc/27/96/55/567279655.db2.gz AFENTJBUKSREIQ-LBPRGKRZSA-N -1 3 386.296 3.207 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1Br ZINC000433865068 567280154 /nfs/dbraw/zinc/28/01/54/567280154.db2.gz NJUXOVYDTZKXKG-SNVBAGLBSA-N -1 3 379.226 3.177 10 30 GGEEHM Cc1onc(CC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1C#N ZINC000500151723 567302545 /nfs/dbraw/zinc/30/25/45/567302545.db2.gz WTDLOGFKGAPEIG-UHFFFAOYSA-N -1 3 376.203 3.155 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000476312027 567313606 /nfs/dbraw/zinc/31/36/06/567313606.db2.gz RBMBXXUFRRZWDT-SOZUMNATSA-N -1 3 376.865 3.443 10 30 GGEEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000592115723 567316182 /nfs/dbraw/zinc/31/61/82/567316182.db2.gz ITXIZBZMSNBLLH-OLZOCXBDSA-N -1 3 384.885 3.000 10 30 GGEEHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337137 567316344 /nfs/dbraw/zinc/31/63/44/567316344.db2.gz JWWAPKTVMNOQEA-ROUUACIJSA-N -1 3 376.865 3.229 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000435442145 567367471 /nfs/dbraw/zinc/36/74/71/567367471.db2.gz GXRJQFRCLJBIAL-JTQLQIEISA-N -1 3 375.258 3.339 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000549911013 567418128 /nfs/dbraw/zinc/41/81/28/567418128.db2.gz RGHLJDVLVPLCPQ-KBPBESRZSA-N -1 3 391.290 3.403 10 30 GGEEHM CCOc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC(F)F ZINC000593534255 567421974 /nfs/dbraw/zinc/42/19/74/567421974.db2.gz HLXBWQFHSXBWJS-UHFFFAOYSA-N -1 3 388.417 3.098 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000593534459 567422049 /nfs/dbraw/zinc/42/20/49/567422049.db2.gz ALAZQMGMNCEJQJ-UHFFFAOYSA-N -1 3 396.921 3.300 10 30 GGEEHM Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593540181 567422343 /nfs/dbraw/zinc/42/23/43/567422343.db2.gz MZQLIUJEQWVWAE-CYBMUJFWSA-N -1 3 395.937 3.386 10 30 GGEEHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567166 567425873 /nfs/dbraw/zinc/42/58/73/567425873.db2.gz OXIMFCMUKUQOAJ-OAHLLOKOSA-N -1 3 385.898 3.194 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccc(COCC(F)(F)F)c1 ZINC000593566310 567425988 /nfs/dbraw/zinc/42/59/88/567425988.db2.gz FBMQBTKXPFKNSX-UHFFFAOYSA-N -1 3 390.408 3.177 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1cncc(Br)c1)C1CC1 ZINC000593592158 567427301 /nfs/dbraw/zinc/42/73/01/567427301.db2.gz GIKPLRPBNGTZMM-CQSZACIVSA-N -1 3 398.307 3.207 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1cncc(Br)c1)C1CC1 ZINC000593592157 567427354 /nfs/dbraw/zinc/42/73/54/567427354.db2.gz GIKPLRPBNGTZMM-AWEZNQCLSA-N -1 3 398.307 3.207 10 30 GGEEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593619552 567428670 /nfs/dbraw/zinc/42/86/70/567428670.db2.gz BLEAYMXRSDNBTE-UHFFFAOYSA-N -1 3 378.475 3.050 10 30 GGEEHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(F)cc1Br ZINC000593623808 567430166 /nfs/dbraw/zinc/43/01/66/567430166.db2.gz QJMWIAJHFSHKTD-UHFFFAOYSA-N -1 3 375.263 3.259 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000594488206 567482423 /nfs/dbraw/zinc/48/24/23/567482423.db2.gz QMXPKYAXRUDETB-ZIAGYGMSSA-N -1 3 376.400 3.203 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000503722567 567504039 /nfs/dbraw/zinc/50/40/39/567504039.db2.gz DXILIIOQBBMPCM-SOZUMNATSA-N -1 3 376.865 3.443 10 30 GGEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594800047 567514432 /nfs/dbraw/zinc/51/44/32/567514432.db2.gz BJFOBNHDVIAALW-ZDUSSCGKSA-N -1 3 376.400 3.061 10 30 GGEEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1(F)F ZINC000594858647 567520335 /nfs/dbraw/zinc/52/03/35/567520335.db2.gz UKUVFZQWKVDYEF-GFCCVEGCSA-N -1 3 379.226 3.034 10 30 GGEEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1Cl ZINC000594869327 567522818 /nfs/dbraw/zinc/52/28/18/567522818.db2.gz HOBXOAYZAQGZNA-UHFFFAOYSA-N -1 3 387.864 3.190 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC000594883801 567524243 /nfs/dbraw/zinc/52/42/43/567524243.db2.gz IODDZCXPTGKJGG-UHFFFAOYSA-N -1 3 380.363 3.477 10 30 GGEEHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504329533 567529749 /nfs/dbraw/zinc/52/97/49/567529749.db2.gz ORPYDUWCMYNDAU-NSHDSACASA-N -1 3 376.247 3.179 10 30 GGEEHM N#C[C@H](c1ccc(Cl)cc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000595290144 567551240 /nfs/dbraw/zinc/55/12/40/567551240.db2.gz VLENNMQIANTDHW-MRXNPFEDSA-N -1 3 395.937 3.409 10 30 GGEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353783 567557417 /nfs/dbraw/zinc/55/74/17/567557417.db2.gz MIMYSYXRDZJJPU-ZWKOTPCHSA-N -1 3 378.881 3.248 10 30 GGEEHM C=CCCc1ccccc1NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000505035320 567557388 /nfs/dbraw/zinc/55/73/88/567557388.db2.gz LHIRPAJXRAAVAM-UHFFFAOYSA-N -1 3 379.507 3.097 10 30 GGEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355117 567557589 /nfs/dbraw/zinc/55/75/89/567557589.db2.gz SBJVMIYVWSUYQI-ROUUACIJSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353190 567557802 /nfs/dbraw/zinc/55/78/02/567557802.db2.gz HZLSACFVTKLJAI-ZWKOTPCHSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355116 567558100 /nfs/dbraw/zinc/55/81/00/567558100.db2.gz SBJVMIYVWSUYQI-QZTJIDSGSA-N -1 3 378.881 3.248 10 30 GGEEHM Cc1nsc([N-]C(=O)c2c(F)cccc2I)c1C#N ZINC000439289462 567578920 /nfs/dbraw/zinc/57/89/20/567578920.db2.gz LPGHNHPHFBFNKW-UHFFFAOYSA-N -1 3 387.177 3.319 10 30 GGEEHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000572729215 567661343 /nfs/dbraw/zinc/66/13/43/567661343.db2.gz TZXIEXZIGFLVGD-GFCCVEGCSA-N -1 3 397.216 3.438 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000553806374 567687228 /nfs/dbraw/zinc/68/72/28/567687228.db2.gz FPDMKMCKGCTFDA-WFASDCNBSA-N -1 3 395.253 3.294 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000553831434 567688914 /nfs/dbraw/zinc/68/89/14/567688914.db2.gz YMBOWSJCZUOBSD-YVMONPNESA-N -1 3 377.263 3.312 10 30 GGEEHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443253192 567743621 /nfs/dbraw/zinc/74/36/21/567743621.db2.gz RZDRTKXVVQDKEI-QZTJIDSGSA-N -1 3 376.865 3.229 10 30 GGEEHM C=CCOc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000533103710 567751701 /nfs/dbraw/zinc/75/17/01/567751701.db2.gz NYEJZZBANYEMKT-UHFFFAOYSA-N -1 3 386.926 3.034 10 30 GGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)c1ccccc1F ZINC000079071883 1409955046 /nfs/dbraw/zinc/95/50/46/1409955046.db2.gz HCJHCLDNACJKOL-UHFFFAOYSA-N -1 3 377.366 3.233 10 30 GGEEHM O=S(=O)(c1cccc(N=Cc2ccc(O)c([O-])c2O)c1)N1CCCCCC1 ZINC000254308518 1433870875 /nfs/dbraw/zinc/87/08/75/1433870875.db2.gz LHURSPOHBUZUQU-UHFFFAOYSA-N -1 3 390.461 3.119 10 30 GGEEHM COc1ccc(CSc2nnc(NN=Cc3cc(OC)ccc3O)[n-]2)cc1 ZINC000006244481 230844553 /nfs/dbraw/zinc/84/45/53/230844553.db2.gz RAQRNKPHZVGCII-VXLYETTFSA-N -1 3 385.449 3.266 10 30 GGEEHM CCCCNS(=O)(=O)c1ccc2[n-]c(Sc3ncccc3C#N)nc2c1 ZINC000007985936 221019564 /nfs/dbraw/zinc/01/95/64/221019564.db2.gz OYIIXZKIANJVOQ-UHFFFAOYSA-N -1 3 387.490 3.059 10 30 GGEEHM COc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2[O-])c(OC)c1 ZINC000097474833 523432647 /nfs/dbraw/zinc/43/26/47/523432647.db2.gz MSWZWWPCONNCTP-DAXSKMNVSA-N -1 3 391.217 3.428 10 30 GGEEHM O=C(CSc1nc(N=NC2CCCCC2)n[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000020508075 527050021 /nfs/dbraw/zinc/05/00/21/527050021.db2.gz KURBHLSCJSOYFJ-UHFFFAOYSA-N -1 3 389.441 3.176 10 30 GGEEHM O=C(CSc1nnc(N=NC2CCCCC2)[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000020508075 527050022 /nfs/dbraw/zinc/05/00/22/527050022.db2.gz KURBHLSCJSOYFJ-UHFFFAOYSA-N -1 3 389.441 3.176 10 30 GGEEHM O=C(CSc1n[n-]c(N=NC2CCCCC2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000020508075 527050023 /nfs/dbraw/zinc/05/00/23/527050023.db2.gz KURBHLSCJSOYFJ-UHFFFAOYSA-N -1 3 389.441 3.176 10 30 GGEEHM C=CCSc1nnc([N-]C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000003337342 564196639 /nfs/dbraw/zinc/19/66/39/564196639.db2.gz RFGCXJMEQZNQME-UHFFFAOYSA-N -1 3 391.446 3.065 10 30 GGEEHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055585775 564625454 /nfs/dbraw/zinc/62/54/54/564625454.db2.gz GMSNCUKEYNUYPO-UHFFFAOYSA-N -1 3 398.271 3.368 10 30 GGEEHM N#Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nc2ccccc12 ZINC000128744622 564628413 /nfs/dbraw/zinc/62/84/13/564628413.db2.gz IUYSIVPVMGFZKQ-UHFFFAOYSA-N -1 3 392.893 3.212 10 30 GGEEHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)sc1Br ZINC000150226309 564888086 /nfs/dbraw/zinc/88/80/86/564888086.db2.gz DESSKJWHLCHZEZ-UHFFFAOYSA-N -1 3 389.271 3.308 10 30 GGEEHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Br ZINC000095457181 564898881 /nfs/dbraw/zinc/89/88/81/564898881.db2.gz GDIIAKNYILYAOG-UHFFFAOYSA-N -1 3 396.222 3.338 10 30 GGEEHM C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151589402 564928171 /nfs/dbraw/zinc/92/81/71/564928171.db2.gz IQTICRKYYYYXCO-NSHDSACASA-N -1 3 375.222 3.110 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000110251870 565038474 /nfs/dbraw/zinc/03/84/74/565038474.db2.gz QVOVDWRQKYVGFM-LLVKDONJSA-N -1 3 378.837 3.038 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000371642137 565203456 /nfs/dbraw/zinc/20/34/56/565203456.db2.gz LRCBJMGZTYKTQA-MAUKXSAKSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000371642136 565203467 /nfs/dbraw/zinc/20/34/67/565203467.db2.gz LRCBJMGZTYKTQA-CRAIPNDOSA-N -1 3 376.865 3.268 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000159924384 565223855 /nfs/dbraw/zinc/22/38/55/565223855.db2.gz XTOCFOHLKDHKCL-NSHDSACASA-N -1 3 375.397 3.463 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1C#N ZINC000386833089 565549490 /nfs/dbraw/zinc/54/94/90/565549490.db2.gz UBBKAKBTPVYWTP-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cs1 ZINC000410137900 565666256 /nfs/dbraw/zinc/66/62/56/565666256.db2.gz BZKPVLWWGNZLRY-UHFFFAOYSA-N -1 3 375.397 3.074 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1nccs1 ZINC000410136297 565666278 /nfs/dbraw/zinc/66/62/78/565666278.db2.gz IPAOCSDKAYSPBS-LBPRGKRZSA-N -1 3 375.397 3.463 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1nccs1 ZINC000410136295 565666557 /nfs/dbraw/zinc/66/65/57/565666557.db2.gz IPAOCSDKAYSPBS-GFCCVEGCSA-N -1 3 375.397 3.463 10 30 GGEEHM C=CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000176666386 565793212 /nfs/dbraw/zinc/79/32/12/565793212.db2.gz PPJUWQTZNWYZLN-JTQLQIEISA-N -1 3 375.475 3.169 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000177662139 565865484 /nfs/dbraw/zinc/86/54/84/565865484.db2.gz CXDUGKZLBFYWFW-LBPRGKRZSA-N -1 3 375.397 3.463 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000364379693 566049433 /nfs/dbraw/zinc/04/94/33/566049433.db2.gz CJUFEFDIDBMQMJ-YJBOKZPZSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000364379690 566049454 /nfs/dbraw/zinc/04/94/54/566049454.db2.gz CJUFEFDIDBMQMJ-CRAIPNDOSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000182873416 566228011 /nfs/dbraw/zinc/22/80/11/566228011.db2.gz XPNVVJXAKPOVJX-AWEZNQCLSA-N -1 3 376.306 3.418 10 30 GGEEHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182876006 566228110 /nfs/dbraw/zinc/22/81/10/566228110.db2.gz XSUPOZPXQSNFRE-AWEZNQCLSA-N -1 3 376.306 3.418 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(F)c(Br)cc2F)CCCC1 ZINC000599445406 566265539 /nfs/dbraw/zinc/26/55/39/566265539.db2.gz RSWYTOZYKINWRE-UHFFFAOYSA-N -1 3 393.253 3.231 10 30 GGEEHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265856 566285430 /nfs/dbraw/zinc/28/54/30/566285430.db2.gz WQVCHGGLRZKBFZ-ZWNOBZJWSA-N -1 3 394.718 3.362 10 30 GGEEHM N#Cc1ccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000462410304 566298085 /nfs/dbraw/zinc/29/80/85/566298085.db2.gz OGHNDNAKVGHGOM-UHFFFAOYSA-N -1 3 385.272 3.363 10 30 GGEEHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000600654605 566356024 /nfs/dbraw/zinc/35/60/24/566356024.db2.gz BFCUHTWWGWMGEW-CQSZACIVSA-N -1 3 378.372 3.014 10 30 GGEEHM COc1cc(C)cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000557841430 566427057 /nfs/dbraw/zinc/42/70/57/566427057.db2.gz AVTAINLXSHWBFP-UHFFFAOYSA-N -1 3 395.278 3.116 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000557862734 566430050 /nfs/dbraw/zinc/43/00/50/566430050.db2.gz WCTHEGSUMWBGOE-UHFFFAOYSA-N -1 3 375.288 3.066 10 30 GGEEHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000447875391 566441800 /nfs/dbraw/zinc/44/18/00/566441800.db2.gz QSKCNHXTMIDQFB-JTQLQIEISA-N -1 3 383.285 3.090 10 30 GGEEHM C=CCC[C@@H](C(=O)N=c1[n-]n(C)cc1I)c1ccccc1 ZINC000602391067 566467713 /nfs/dbraw/zinc/46/77/13/566467713.db2.gz RCLRESKXXOTXIA-CYBMUJFWSA-N -1 3 395.244 3.135 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000464415832 566473879 /nfs/dbraw/zinc/47/38/79/566473879.db2.gz BQLPNHJMTVDLCW-CQSZACIVSA-N -1 3 375.288 3.064 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)ccc1Cl ZINC000603974946 566549038 /nfs/dbraw/zinc/54/90/38/566549038.db2.gz RDJHVURGNMVILS-UHFFFAOYSA-N -1 3 379.800 3.036 10 30 GGEEHM C=CC[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000628482871 566560230 /nfs/dbraw/zinc/56/02/30/566560230.db2.gz AIMLUGDYDNEGSO-GFCCVEGCSA-N -1 3 391.320 3.086 10 30 GGEEHM C=CC[C@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000628492153 566561975 /nfs/dbraw/zinc/56/19/75/566561975.db2.gz OVBFXQFDZRTOPM-NSHDSACASA-N -1 3 376.400 3.115 10 30 GGEEHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578917324 566563581 /nfs/dbraw/zinc/56/35/81/566563581.db2.gz OJJAPUSTSUOQHK-QMTHXVAHSA-N -1 3 394.718 3.362 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540069618 566625220 /nfs/dbraw/zinc/62/52/20/566625220.db2.gz XNASSLIEASTTQI-RDTXWAMCSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540069615 566625969 /nfs/dbraw/zinc/62/59/69/566625969.db2.gz XNASSLIEASTTQI-KBXCAEBGSA-N -1 3 376.865 3.268 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486826346 566626749 /nfs/dbraw/zinc/62/67/49/566626749.db2.gz PAYAWEFUJCENHL-QMMMGPOBSA-N -1 3 393.387 3.353 10 30 GGEEHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000514622961 566656548 /nfs/dbraw/zinc/65/65/48/566656548.db2.gz ZQORFJPDJKCLKT-UHFFFAOYSA-N -1 3 396.471 3.083 10 30 GGEEHM N#Cc1cc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)ccn1 ZINC000580634333 566710893 /nfs/dbraw/zinc/71/08/93/566710893.db2.gz LOUGLZNVCAUQLF-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM N#Cc1cc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)ccn1 ZINC000580634333 566710901 /nfs/dbraw/zinc/71/09/01/566710901.db2.gz LOUGLZNVCAUQLF-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM N#Cc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)ccn1 ZINC000580634333 566710905 /nfs/dbraw/zinc/71/09/05/566710905.db2.gz LOUGLZNVCAUQLF-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000609019382 566746556 /nfs/dbraw/zinc/74/65/56/566746556.db2.gz RTUMIMPQNMMKLZ-VIFPVBQESA-N -1 3 375.397 3.382 10 30 GGEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000562236447 566773391 /nfs/dbraw/zinc/77/33/91/566773391.db2.gz JNSVPDDAGWCHRK-NSHDSACASA-N -1 3 383.720 3.026 10 30 GGEEHM C=CCn1cc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2[O-])nn1 ZINC000655203997 566786554 /nfs/dbraw/zinc/78/65/54/566786554.db2.gz CCHQWFAYWFLGQJ-UHFFFAOYSA-N -1 3 379.258 3.482 10 30 GGEEHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610082856 566804514 /nfs/dbraw/zinc/80/45/14/566804514.db2.gz MJPCWGSVMFTOBC-LLVKDONJSA-N -1 3 397.269 3.369 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1F ZINC000489802755 566811462 /nfs/dbraw/zinc/81/14/62/566811462.db2.gz LJEKQUZKVPOSNB-CQSZACIVSA-N -1 3 376.306 3.260 10 30 GGEEHM Cc1nc([N-]C(=O)c2nnn(C3CC3)c2C(F)(F)F)sc1SCC#N ZINC000610412142 566829726 /nfs/dbraw/zinc/82/97/26/566829726.db2.gz XRPCMAMWNAVSJA-UHFFFAOYSA-N -1 3 388.400 3.265 10 30 GGEEHM N#Cc1cccc(CC(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610527778 566840199 /nfs/dbraw/zinc/84/01/99/566840199.db2.gz HMKNSLGBNLJWLN-UHFFFAOYSA-N -1 3 378.169 3.050 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000490467114 566855627 /nfs/dbraw/zinc/85/56/27/566855627.db2.gz BYJHXXMXLIFXDS-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000451731681 566872327 /nfs/dbraw/zinc/87/23/27/566872327.db2.gz DSAWTERJNNPNQU-UWVGGRQHSA-N -1 3 377.691 3.463 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000451734688 566872627 /nfs/dbraw/zinc/87/26/27/566872627.db2.gz KSOTXHOOIAGOKA-UWVGGRQHSA-N -1 3 377.691 3.463 10 30 GGEEHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000451803969 566884060 /nfs/dbraw/zinc/88/40/60/566884060.db2.gz SRVLAAICIZDFDL-UHFFFAOYSA-N -1 3 392.315 3.109 10 30 GGEEHM COc1cc(CNCc2cc(Br)c([O-])c(OC)c2)ccc1C#N ZINC000582815483 566897227 /nfs/dbraw/zinc/89/72/27/566897227.db2.gz WMZFJOVUIJWJMP-UHFFFAOYSA-N -1 3 377.238 3.333 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000611416017 566916819 /nfs/dbraw/zinc/91/68/19/566916819.db2.gz NYCLOKXSGWECKQ-UHFFFAOYSA-N -1 3 375.759 3.104 10 30 GGEEHM CN(Cc1cccc(C#N)c1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000544373341 566957861 /nfs/dbraw/zinc/95/78/61/566957861.db2.gz CCNATVMRYCSJJL-UHFFFAOYSA-N -1 3 396.244 3.434 10 30 GGEEHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1C#N ZINC000564410236 566974547 /nfs/dbraw/zinc/97/45/47/566974547.db2.gz UPAMCJZLYUUOCJ-UHFFFAOYSA-N -1 3 377.274 3.414 10 30 GGEEHM Cn1cc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c(C(F)F)n1 ZINC000633730147 566985674 /nfs/dbraw/zinc/98/56/74/566985674.db2.gz ZMOCFEXYHPHLFP-UHFFFAOYSA-N -1 3 377.245 3.116 10 30 GGEEHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000471984422 566992526 /nfs/dbraw/zinc/99/25/26/566992526.db2.gz NQWGTIAGYKHLFX-UHFFFAOYSA-N -1 3 382.800 3.247 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)CCCC1 ZINC000545357727 567043441 /nfs/dbraw/zinc/04/34/41/567043441.db2.gz AGFVUUUCQMHSDR-GFCCVEGCSA-N -1 3 375.277 3.430 10 30 GGEEHM CCOC(=O)c1sc([N-]C(=O)c2cnc(OC)c(Cl)c2)c(C#N)c1C ZINC000585734306 567084127 /nfs/dbraw/zinc/08/41/27/567084127.db2.gz MYSYKFIPUJNAAE-UHFFFAOYSA-N -1 3 379.825 3.414 10 30 GGEEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1 ZINC000431631607 567097401 /nfs/dbraw/zinc/09/74/01/567097401.db2.gz RYUINDFQCXOSPN-OAHLLOKOSA-N -1 3 378.475 3.248 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)s1 ZINC000431642121 567098882 /nfs/dbraw/zinc/09/88/82/567098882.db2.gz ZOAJMSGBUHPXED-CQSZACIVSA-N -1 3 378.475 3.248 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000588132970 567116223 /nfs/dbraw/zinc/11/62/23/567116223.db2.gz DIJAGLSJHQOREX-UHFFFAOYSA-N -1 3 375.759 3.104 10 30 GGEEHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000588943151 567146094 /nfs/dbraw/zinc/14/60/94/567146094.db2.gz ZVMWGZMVHJVHOQ-ZDUSSCGKSA-N -1 3 382.283 3.214 10 30 GGEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000546766111 567156270 /nfs/dbraw/zinc/15/62/70/567156270.db2.gz QHMAALWUYPJRBG-CYBMUJFWSA-N -1 3 392.315 3.107 10 30 GGEEHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432771379 567188172 /nfs/dbraw/zinc/18/81/72/567188172.db2.gz KPDOUKSKPDHVMY-UHFFFAOYSA-N -1 3 385.214 3.269 10 30 GGEEHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCC2)oc1-c1ccc(Cl)cc1 ZINC000566942864 567204013 /nfs/dbraw/zinc/20/40/13/567204013.db2.gz REGKZMMULUJSPD-UHFFFAOYSA-N -1 3 379.869 3.417 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)ccc1F ZINC000432949924 567208405 /nfs/dbraw/zinc/20/84/05/567208405.db2.gz PAMDCURVHQIXPO-AWEZNQCLSA-N -1 3 376.306 3.260 10 30 GGEEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000592115019 567316736 /nfs/dbraw/zinc/31/67/36/567316736.db2.gz CLZWNEBTBPQFET-OLZOCXBDSA-N -1 3 384.885 3.000 10 30 GGEEHM N#C[C@@]1(F)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000617659937 567327782 /nfs/dbraw/zinc/32/77/82/567327782.db2.gz CBXOLGTYAYAQPY-HNNXBMFYSA-N -1 3 398.619 3.022 10 30 GGEEHM N#C[C@@]1(F)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000617659937 567327788 /nfs/dbraw/zinc/32/77/88/567327788.db2.gz CBXOLGTYAYAQPY-HNNXBMFYSA-N -1 3 398.619 3.022 10 30 GGEEHM N#C[C@]1(F)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000617659938 567327836 /nfs/dbraw/zinc/32/78/36/567327836.db2.gz CBXOLGTYAYAQPY-OAHLLOKOSA-N -1 3 398.619 3.022 10 30 GGEEHM N#C[C@]1(F)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000617659938 567327846 /nfs/dbraw/zinc/32/78/46/567327846.db2.gz CBXOLGTYAYAQPY-OAHLLOKOSA-N -1 3 398.619 3.022 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000435442148 567367693 /nfs/dbraw/zinc/36/76/93/567367693.db2.gz GXRJQFRCLJBIAL-SNVBAGLBSA-N -1 3 375.258 3.339 10 30 GGEEHM COc1cc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC(C)C ZINC000593530447 567420930 /nfs/dbraw/zinc/42/09/30/567420930.db2.gz IMRLKWKSPUFOON-GFCCVEGCSA-N -1 3 380.491 3.455 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(COCC(F)(F)F)cc1 ZINC000593529388 567421177 /nfs/dbraw/zinc/42/11/77/567421177.db2.gz CZMDLVNCAJBATL-UHFFFAOYSA-N -1 3 390.408 3.177 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccnc(OC2CCCCC2)c1 ZINC000593538350 567422187 /nfs/dbraw/zinc/42/21/87/567422187.db2.gz LUOHTLVXRGIFGT-UHFFFAOYSA-N -1 3 377.491 3.205 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000593547335 567424378 /nfs/dbraw/zinc/42/43/78/567424378.db2.gz DEQNCMXGPHJBAH-UHFFFAOYSA-N -1 3 382.894 3.257 10 30 GGEEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593621159 567428383 /nfs/dbraw/zinc/42/83/83/567428383.db2.gz OJRZBFQXQLPJHX-UHFFFAOYSA-N -1 3 387.299 3.210 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCCC1 ZINC000593620195 567428735 /nfs/dbraw/zinc/42/87/35/567428735.db2.gz MGCZTXIFEDYNPM-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593623399 567430199 /nfs/dbraw/zinc/43/01/99/567430199.db2.gz JSCIPXARGUBKAG-ZDUSSCGKSA-N -1 3 386.901 3.116 10 30 GGEEHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000528547077 567436238 /nfs/dbraw/zinc/43/62/38/567436238.db2.gz MNHPEJWMTYFNNT-CQSZACIVSA-N -1 3 388.276 3.039 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c(F)c1 ZINC000619592157 567468594 /nfs/dbraw/zinc/46/85/94/567468594.db2.gz VDSYGSXAPPUMKV-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594481837 567480283 /nfs/dbraw/zinc/48/02/83/567480283.db2.gz VXXUSGJPTMKUKQ-UHFFFAOYSA-N -1 3 388.392 3.486 10 30 GGEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594480175 567480516 /nfs/dbraw/zinc/48/05/16/567480516.db2.gz LTCYSFLLLJUABR-HAQNSBGRSA-N -1 3 376.400 3.201 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594487781 567481772 /nfs/dbraw/zinc/48/17/72/567481772.db2.gz JJQHYBOVFFTZQF-LBPRGKRZSA-N -1 3 399.310 3.091 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594488204 567482372 /nfs/dbraw/zinc/48/23/72/567482372.db2.gz QMXPKYAXRUDETB-KGLIPLIRSA-N -1 3 376.400 3.203 10 30 GGEEHM CC(C)(C#N)c1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000594505197 567482435 /nfs/dbraw/zinc/48/24/35/567482435.db2.gz QAWMHMKVCMPWAD-UHFFFAOYSA-N -1 3 397.953 3.271 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000503722565 567503218 /nfs/dbraw/zinc/50/32/18/567503218.db2.gz DXILIIOQBBMPCM-OAVHHTNSSA-N -1 3 376.865 3.443 10 30 GGEEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479146140 567508565 /nfs/dbraw/zinc/50/85/65/567508565.db2.gz USAOOGDAFLCKRP-SNVBAGLBSA-N -1 3 383.285 3.090 10 30 GGEEHM COC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479146139 567508780 /nfs/dbraw/zinc/50/87/80/567508780.db2.gz USAOOGDAFLCKRP-JTQLQIEISA-N -1 3 383.285 3.090 10 30 GGEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594800046 567514392 /nfs/dbraw/zinc/51/43/92/567514392.db2.gz BJFOBNHDVIAALW-CYBMUJFWSA-N -1 3 376.400 3.061 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000594805114 567514788 /nfs/dbraw/zinc/51/47/88/567514788.db2.gz UNMJNJUDUCRENO-GFCCVEGCSA-N -1 3 381.910 3.078 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000594851835 567520487 /nfs/dbraw/zinc/52/04/87/567520487.db2.gz DVXQVXFTEOEONI-HOTGVXAUSA-N -1 3 376.865 3.063 10 30 GGEEHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1(F)F ZINC000594857660 567520705 /nfs/dbraw/zinc/52/07/05/567520705.db2.gz NEHIVEVSFUUXGS-LBPRGKRZSA-N -1 3 379.226 3.034 10 30 GGEEHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1(F)F ZINC000594855992 567520840 /nfs/dbraw/zinc/52/08/40/567520840.db2.gz DTLAFWYDZRWJSM-LBPRGKRZSA-N -1 3 379.226 3.034 10 30 GGEEHM N#Cc1cccc(C2([N-]S(=O)(=O)c3sccc3Cl)CCOCC2)c1 ZINC000594866475 567521967 /nfs/dbraw/zinc/52/19/67/567521967.db2.gz YWGPLSBSERTBSI-UHFFFAOYSA-N -1 3 382.894 3.257 10 30 GGEEHM N#Cc1cncc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)c1 ZINC000594868342 567522501 /nfs/dbraw/zinc/52/25/01/567522501.db2.gz DWWGRNQKWQBUEZ-UHFFFAOYSA-N -1 3 389.321 3.285 10 30 GGEEHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504296523 567528262 /nfs/dbraw/zinc/52/82/62/567528262.db2.gz DEGPNXFKNPJWCU-NSHDSACASA-N -1 3 376.247 3.179 10 30 GGEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352211 567557398 /nfs/dbraw/zinc/55/73/98/567557398.db2.gz ANCMQGSPVUKUQM-ROUUACIJSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353782 567557491 /nfs/dbraw/zinc/55/74/91/567557491.db2.gz MIMYSYXRDZJJPU-ROUUACIJSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355118 567557673 /nfs/dbraw/zinc/55/76/73/567557673.db2.gz SBJVMIYVWSUYQI-ZWKOTPCHSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352208 567557965 /nfs/dbraw/zinc/55/79/65/567557965.db2.gz ANCMQGSPVUKUQM-QZTJIDSGSA-N -1 3 378.881 3.248 10 30 GGEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000530154011 567576261 /nfs/dbraw/zinc/57/62/61/567576261.db2.gz MUDGBDLAYZKXCT-UHFFFAOYSA-N -1 3 378.372 3.099 10 30 GGEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645764430 567665940 /nfs/dbraw/zinc/66/59/40/567665940.db2.gz CZCSDFAYMMCVRZ-ONGXEEELSA-N -1 3 385.791 3.108 10 30 GGEEHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000572902126 567673839 /nfs/dbraw/zinc/67/38/39/567673839.db2.gz IZIPGDOSQVYVGE-UHFFFAOYSA-N -1 3 385.205 3.188 10 30 GGEEHM N#CC1(CC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CCOCC1 ZINC000597365495 567696408 /nfs/dbraw/zinc/69/64/08/567696408.db2.gz MNIRZFMREAGDKE-UHFFFAOYSA-N -1 3 379.247 3.454 10 30 GGEEHM Cc1nccc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1Br ZINC000574716442 567793318 /nfs/dbraw/zinc/79/33/18/567793318.db2.gz WXTVLZCLDCSOOS-UHFFFAOYSA-N -1 3 383.205 3.353 10 30 GGEEHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000048234418 570221154 /nfs/dbraw/zinc/22/11/54/570221154.db2.gz ZPRFGISJWVEVRL-NSHDSACASA-N -1 3 399.348 3.032 10 30 GGEEHM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000048234418 570221156 /nfs/dbraw/zinc/22/11/56/570221156.db2.gz ZPRFGISJWVEVRL-NSHDSACASA-N -1 3 399.348 3.032 10 30 GGEEHM CCN(CC)c1ccc(/C=N/N(C)S(=O)(=O)c2ccc(C)cc2)c([O-])c1 ZINC000005736208 570454064 /nfs/dbraw/zinc/45/40/64/570454064.db2.gz ZCYMQZPSIZTAMJ-XSFVSMFZSA-N -1 3 375.494 3.201 10 30 GGEEHM COC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)SC(=Cc2ccccc2[O-])C1=O ZINC000101727966 570900944 /nfs/dbraw/zinc/90/09/44/570900944.db2.gz AGFRQYMJSRHMAP-OQLLNIDSSA-N -1 3 398.396 3.454 10 30 GGEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)ccc1F ZINC000040070115 570907895 /nfs/dbraw/zinc/90/78/95/570907895.db2.gz PLQPIYXQTBCDRF-CQSZACIVSA-N -1 3 390.480 3.343 10 30 GGEEHM N#Cc1c(N)n[nH]c1CCCCCN=Cc1cc(Br)ccc1[O-] ZINC000006909129 1398572565 /nfs/dbraw/zinc/57/25/65/1398572565.db2.gz KHMSIPBXIRGELX-JMIUGGIZSA-N -1 3 376.258 3.164 10 30 GGEEHM COc1cc(C=NN2CCN(c3ccccc3)CC2)cc(Br)c1[O-] ZINC000254443276 1433871264 /nfs/dbraw/zinc/87/12/64/1433871264.db2.gz XKAVAODDDAYQIL-UHFFFAOYSA-N -1 3 390.281 3.319 10 30 GGEEHM CC(=[NH+][N-]c1nnc(SCC(=O)Nc2cccc(C)c2)[n-]1)c1ccncc1 ZINC000020408238 518453966 /nfs/dbraw/zinc/45/39/66/518453966.db2.gz MMYOWEJHQPIOFH-XKZIYDEJSA-N -1 3 381.465 3.075 10 30 GGEEHM O=C(/C=C\c1ccc(F)cc1)c1cccc(I)c(=O)c1[O-] ZINC000097474841 527654810 /nfs/dbraw/zinc/65/48/10/527654810.db2.gz WOMPPHVVEIGWGE-TWGQIWQCSA-N -1 3 396.155 3.392 10 30 GGEEHM C=CCNC(=O)NC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000009154651 564253109 /nfs/dbraw/zinc/25/31/09/564253109.db2.gz ZCCWJWZAIYSKKC-UHFFFAOYSA-N -1 3 383.886 3.039 10 30 GGEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000127303565 564579746 /nfs/dbraw/zinc/57/97/46/564579746.db2.gz FCNDHXJNEAACKV-MRVPVSSYSA-N -1 3 396.104 3.101 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)ccc1Cl ZINC000055576911 564624464 /nfs/dbraw/zinc/62/44/64/564624464.db2.gz XDDNCVJQIMGSBW-UHFFFAOYSA-N -1 3 385.228 3.437 10 30 GGEEHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055620387 564626154 /nfs/dbraw/zinc/62/61/54/564626154.db2.gz QJEMTCQXXKSHNI-UHFFFAOYSA-N -1 3 384.244 3.025 10 30 GGEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000107704306 565002426 /nfs/dbraw/zinc/00/24/26/565002426.db2.gz WBYKJAQSJLCAER-UHFFFAOYSA-N -1 3 375.397 3.074 10 30 GGEEHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2sccc2C#N)c(F)cc1F ZINC000110688758 565044119 /nfs/dbraw/zinc/04/41/19/565044119.db2.gz YTGDHZRVDIUMAK-UHFFFAOYSA-N -1 3 385.417 3.302 10 30 GGEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000156066905 565074612 /nfs/dbraw/zinc/07/46/12/565074612.db2.gz SYJPCDCUFTZTDB-UHFFFAOYSA-N -1 3 386.216 3.252 10 30 GGEEHM C=CCC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000158179636 565160454 /nfs/dbraw/zinc/16/04/54/565160454.db2.gz CXRAEKLMCVZNJL-INIZCTEOSA-N -1 3 379.503 3.076 10 30 GGEEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000295631347 565277091 /nfs/dbraw/zinc/27/70/91/565277091.db2.gz CSQDSOPELYGOGR-ZFWWWQNUSA-N -1 3 386.901 3.116 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000296151005 565304489 /nfs/dbraw/zinc/30/44/89/565304489.db2.gz KDGVVYVSQRGRRF-QMMMGPOBSA-N -1 3 393.387 3.353 10 30 GGEEHM Cc1ccc([O-])c[n+]1C(C(=O)c1nccs1)C(=S)[N-]C1CCCCC1 ZINC000278289190 565549556 /nfs/dbraw/zinc/54/95/56/565549556.db2.gz QPWBPAHUXQPURZ-UHFFFAOYSA-O -1 3 376.527 3.306 10 30 GGEEHM C[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049259 565579930 /nfs/dbraw/zinc/57/99/30/565579930.db2.gz UMTWAWGFYFONSV-AWEZNQCLSA-N -1 3 377.897 3.010 10 30 GGEEHM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000279826866 565635924 /nfs/dbraw/zinc/63/59/24/565635924.db2.gz CMHARNGBKWCIAE-UHFFFAOYSA-N -1 3 377.293 3.130 10 30 GGEEHM CCNC(=O)N1CCC(N(CC(=O)[O-])Cc2cc(Cl)ccc2Cl)CC1 ZINC000328602341 565636018 /nfs/dbraw/zinc/63/60/18/565636018.db2.gz BEESHECWPFDUTP-UHFFFAOYSA-N -1 3 388.295 3.278 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000282645931 565790621 /nfs/dbraw/zinc/79/06/21/565790621.db2.gz UKTCPWJRDLGSOL-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000283111879 565809384 /nfs/dbraw/zinc/80/93/84/565809384.db2.gz YHPQMXUIHWSSEO-UHFFFAOYSA-N -1 3 393.734 3.031 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000177656127 565865034 /nfs/dbraw/zinc/86/50/34/565865034.db2.gz FCMJEFOGFDYIOW-VIFPVBQESA-N -1 3 375.397 3.382 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000177656115 565865203 /nfs/dbraw/zinc/86/52/03/565865203.db2.gz FCMJEFOGFDYIOW-SECBINFHSA-N -1 3 375.397 3.382 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c(F)c1 ZINC000178878849 565943833 /nfs/dbraw/zinc/94/38/33/565943833.db2.gz DBJLYFJDEBBUGM-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182876026 566227341 /nfs/dbraw/zinc/22/73/41/566227341.db2.gz XSUPOZPXQSNFRE-CQSZACIVSA-N -1 3 376.306 3.418 10 30 GGEEHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000599337324 566255240 /nfs/dbraw/zinc/25/52/40/566255240.db2.gz YPSCMQDPVNIEDU-UHFFFAOYSA-N -1 3 375.263 3.259 10 30 GGEEHM C=CCn1c(=O)[n-]nc1SCc1cc(Br)ccc1C(=O)OC ZINC000509076541 566261696 /nfs/dbraw/zinc/26/16/96/566261696.db2.gz ZVQBCQLSTANLGZ-UHFFFAOYSA-N -1 3 384.255 3.011 10 30 GGEEHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265853 566284758 /nfs/dbraw/zinc/28/47/58/566284758.db2.gz WQVCHGGLRZKBFZ-GWCFXTLKSA-N -1 3 394.718 3.362 10 30 GGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000625327629 566306842 /nfs/dbraw/zinc/30/68/42/566306842.db2.gz IGDWYIZNMRECKI-UHFFFAOYSA-N -1 3 386.583 3.334 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000625548271 566333181 /nfs/dbraw/zinc/33/31/81/566333181.db2.gz HGGFZHDPZBDRGK-UHFFFAOYSA-N -1 3 375.277 3.179 10 30 GGEEHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C1CC1 ZINC000600653923 566355524 /nfs/dbraw/zinc/35/55/24/566355524.db2.gz QLSIENFUQZXGOC-OAHLLOKOSA-N -1 3 387.299 3.186 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000536757292 566399260 /nfs/dbraw/zinc/39/92/60/566399260.db2.gz MNRGUHJEQVWWST-KSSFIOAISA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000557838554 566426077 /nfs/dbraw/zinc/42/60/77/566426077.db2.gz GUCYSNPYSDPPQH-VIFPVBQESA-N -1 3 379.226 3.177 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)CCCC1 ZINC000557848977 566428956 /nfs/dbraw/zinc/42/89/56/566428956.db2.gz FLSVIAXJAYZGJO-UHFFFAOYSA-N -1 3 382.354 3.487 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000558095252 566449415 /nfs/dbraw/zinc/44/94/15/566449415.db2.gz KENWZWCCXOBZEC-IAGOWNOFSA-N -1 3 376.865 3.410 10 30 GGEEHM COc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccc1C#N ZINC000577806755 566465635 /nfs/dbraw/zinc/46/56/35/566465635.db2.gz AKMLNNOMPFIGOF-UHFFFAOYSA-N -1 3 390.237 3.034 10 30 GGEEHM C=CC(C)(C)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000628318750 566546250 /nfs/dbraw/zinc/54/62/50/566546250.db2.gz RLJXBTRFEBLNAG-UHFFFAOYSA-N -1 3 393.336 3.380 10 30 GGEEHM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541573725 566735009 /nfs/dbraw/zinc/73/50/09/566735009.db2.gz QOBWBGRUEVQCSI-UHFFFAOYSA-N -1 3 389.171 3.481 10 30 GGEEHM C=CCN(CC(F)(F)F)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000541573725 566735015 /nfs/dbraw/zinc/73/50/15/566735015.db2.gz QOBWBGRUEVQCSI-UHFFFAOYSA-N -1 3 389.171 3.481 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cc1C#N ZINC000427234640 566759722 /nfs/dbraw/zinc/75/97/22/566759722.db2.gz NZKYRYIDHCKBPL-UHFFFAOYSA-N -1 3 388.193 3.103 10 30 GGEEHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Br ZINC000609592249 566774432 /nfs/dbraw/zinc/77/44/32/566774432.db2.gz WXXPKHICNBRCGE-INIZCTEOSA-N -1 3 382.217 3.285 10 30 GGEEHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000469335528 566783232 /nfs/dbraw/zinc/78/32/32/566783232.db2.gz PYPAILUMXMRQES-SNVBAGLBSA-N -1 3 383.285 3.090 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000489521200 566793374 /nfs/dbraw/zinc/79/33/74/566793374.db2.gz XDGWECQJLBYFPZ-NSHDSACASA-N -1 3 390.412 3.167 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000489521198 566793682 /nfs/dbraw/zinc/79/36/82/566793682.db2.gz XDGWECQJLBYFPZ-LLVKDONJSA-N -1 3 390.412 3.167 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000451627629 566852800 /nfs/dbraw/zinc/85/28/00/566852800.db2.gz YOBMGFCCOHDQMK-UHFFFAOYSA-N -1 3 388.392 3.486 10 30 GGEEHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cc(C(F)(F)F)on1 ZINC000490474163 566856903 /nfs/dbraw/zinc/85/69/03/566856903.db2.gz ZQHIYWOTRTYBLN-UHFFFAOYSA-N -1 3 379.404 3.322 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000451738569 566872069 /nfs/dbraw/zinc/87/20/69/566872069.db2.gz SXMBQXSWXFRQEL-FZMZJTMJSA-N -1 3 394.294 3.358 10 30 GGEEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451737651 566872304 /nfs/dbraw/zinc/87/23/04/566872304.db2.gz QNNIEIHLHOVTEI-YDHLFZDLSA-N -1 3 386.901 3.114 10 30 GGEEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451737650 566872656 /nfs/dbraw/zinc/87/26/56/566872656.db2.gz QNNIEIHLHOVTEI-IPYPFGDCSA-N -1 3 386.901 3.114 10 30 GGEEHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C#N)c(Br)c1 ZINC000543637624 566895334 /nfs/dbraw/zinc/89/53/34/566895334.db2.gz GZVPSFGINKAIJD-UHFFFAOYSA-N -1 3 396.104 3.101 10 30 GGEEHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656900494 566970227 /nfs/dbraw/zinc/97/02/27/566970227.db2.gz ZNMJGHFATQFSPP-UHFFFAOYSA-N -1 3 393.734 3.031 10 30 GGEEHM Cn1ncc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1C(F)(F)F ZINC000633727905 566983781 /nfs/dbraw/zinc/98/37/81/566983781.db2.gz LLYOMCFFMNANPB-UHFFFAOYSA-N -1 3 395.235 3.197 10 30 GGEEHM C=CCCC1(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCCC1 ZINC000657064167 567009292 /nfs/dbraw/zinc/00/92/92/567009292.db2.gz CAZACTRSYVAUEY-UHFFFAOYSA-N -1 3 384.567 3.232 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CCC1 ZINC000521118113 567041506 /nfs/dbraw/zinc/04/15/06/567041506.db2.gz KAEZJSWYVUFPSI-QGZVFWFLSA-N -1 3 382.913 3.421 10 30 GGEEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000431619496 567095973 /nfs/dbraw/zinc/09/59/73/567095973.db2.gz ILHKBXCVKVKKCT-AWEZNQCLSA-N -1 3 378.475 3.248 10 30 GGEEHM CC(C)[C@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000588067110 567110626 /nfs/dbraw/zinc/11/06/26/567110626.db2.gz WDBSQSOTDZKFBN-LBPRGKRZSA-N -1 3 382.645 3.222 10 30 GGEEHM CC(C)[C@H](C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000588067110 567110632 /nfs/dbraw/zinc/11/06/32/567110632.db2.gz WDBSQSOTDZKFBN-LBPRGKRZSA-N -1 3 382.645 3.222 10 30 GGEEHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000589221594 567166903 /nfs/dbraw/zinc/16/69/03/567166903.db2.gz HTQLEYUJRZOXLX-AWEZNQCLSA-N -1 3 376.400 3.006 10 30 GGEEHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000474395272 567168395 /nfs/dbraw/zinc/16/83/95/567168395.db2.gz VWFDWLBJVSGKNL-UHFFFAOYSA-N -1 3 376.821 3.445 10 30 GGEEHM COc1ccc(CNCCOc2ccc(C#N)cc2)c(Br)c1[O-] ZINC000546881891 567168717 /nfs/dbraw/zinc/16/87/17/567168717.db2.gz JYNRANKRHBZTCI-UHFFFAOYSA-N -1 3 377.238 3.204 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000474581999 567181235 /nfs/dbraw/zinc/18/12/35/567181235.db2.gz VQDGZUXRJDBDBP-NSHDSACASA-N -1 3 380.857 3.064 10 30 GGEEHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000547713105 567241984 /nfs/dbraw/zinc/24/19/84/567241984.db2.gz PTJDGXNUYJRFME-UHFFFAOYSA-N -1 3 379.869 3.083 10 30 GGEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000592084817 567312606 /nfs/dbraw/zinc/31/26/06/567312606.db2.gz LTCYSFLLLJUABR-TXEJJXNPSA-N -1 3 376.400 3.201 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000476312024 567313691 /nfs/dbraw/zinc/31/36/91/567313691.db2.gz RBMBXXUFRRZWDT-PZROIBLQSA-N -1 3 376.865 3.443 10 30 GGEEHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435427505 567363266 /nfs/dbraw/zinc/36/32/66/567363266.db2.gz NEPDAFQNXRJZPJ-JTQLQIEISA-N -1 3 385.308 3.292 10 30 GGEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501526467 567393836 /nfs/dbraw/zinc/39/38/36/567393836.db2.gz YSCPCSQBZDPJLV-LBPRGKRZSA-N -1 3 392.315 3.107 10 30 GGEEHM C=CCOCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000618524547 567396283 /nfs/dbraw/zinc/39/62/83/567396283.db2.gz JMYFSARKUCXKPN-UHFFFAOYSA-N -1 3 399.672 3.267 10 30 GGEEHM C=CCOCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000618524547 567396286 /nfs/dbraw/zinc/39/62/86/567396286.db2.gz JMYFSARKUCXKPN-UHFFFAOYSA-N -1 3 399.672 3.267 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000593528548 567420441 /nfs/dbraw/zinc/42/04/41/567420441.db2.gz CYRYZZJXNNRBFB-LLVKDONJSA-N -1 3 375.475 3.008 10 30 GGEEHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OCC ZINC000593524811 567421238 /nfs/dbraw/zinc/42/12/38/567421238.db2.gz AROBLPDIEAAMOQ-LBPRGKRZSA-N -1 3 380.491 3.457 10 30 GGEEHM COCCSc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544016 567422078 /nfs/dbraw/zinc/42/20/78/567422078.db2.gz SUSDGTJFDFPWOL-LBPRGKRZSA-N -1 3 382.532 3.398 10 30 GGEEHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593544352 567422109 /nfs/dbraw/zinc/42/21/09/567422109.db2.gz RPXLWQQSGQMFDX-LBPRGKRZSA-N -1 3 382.532 3.335 10 30 GGEEHM COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593544351 567422656 /nfs/dbraw/zinc/42/26/56/567422656.db2.gz RPXLWQQSGQMFDX-GFCCVEGCSA-N -1 3 382.532 3.335 10 30 GGEEHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552703 567423751 /nfs/dbraw/zinc/42/37/51/567423751.db2.gz HONFTZVXCKPGPD-CRAIPNDOSA-N -1 3 376.503 3.374 10 30 GGEEHM CCOc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1OC(F)F ZINC000593559474 567423782 /nfs/dbraw/zinc/42/37/82/567423782.db2.gz JDFVCSQSBVOGMD-UHFFFAOYSA-N -1 3 388.417 3.098 10 30 GGEEHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567159 567425059 /nfs/dbraw/zinc/42/50/59/567425059.db2.gz OXIMFCMUKUQOAJ-HNNXBMFYSA-N -1 3 385.898 3.194 10 30 GGEEHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)OC(C)C ZINC000593578056 567425744 /nfs/dbraw/zinc/42/57/44/567425744.db2.gz JVSANBPZZQLGAC-HNNXBMFYSA-N -1 3 380.491 3.073 10 30 GGEEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593620577 567428339 /nfs/dbraw/zinc/42/83/39/567428339.db2.gz QQLCBFZSWRBHEY-UHFFFAOYSA-N -1 3 386.901 3.118 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000593623050 567430179 /nfs/dbraw/zinc/43/01/79/567430179.db2.gz HWNCBWOWJFYIFZ-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000478148980 567439534 /nfs/dbraw/zinc/43/95/34/567439534.db2.gz MDIRLERIBZYSHJ-UHFFFAOYSA-N -1 3 377.422 3.033 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC000594481860 567480465 /nfs/dbraw/zinc/48/04/65/567480465.db2.gz YELUKAQYHKFVNJ-UHFFFAOYSA-N -1 3 388.392 3.486 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594488203 567482239 /nfs/dbraw/zinc/48/22/39/567482239.db2.gz QMXPKYAXRUDETB-KBPBESRZSA-N -1 3 376.400 3.203 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c(Cl)c1 ZINC000503500542 567489914 /nfs/dbraw/zinc/48/99/14/567489914.db2.gz BLXKSSCFMDVCIK-UHFFFAOYSA-N -1 3 377.828 3.353 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000503722566 567503059 /nfs/dbraw/zinc/50/30/59/567503059.db2.gz DXILIIOQBBMPCM-PZROIBLQSA-N -1 3 376.865 3.443 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594853662 567520723 /nfs/dbraw/zinc/52/07/23/567520723.db2.gz VLPWFIWFKFWQOC-GJZGRUSLSA-N -1 3 376.865 3.063 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884635 567523772 /nfs/dbraw/zinc/52/37/72/567523772.db2.gz SVLMPZWKZDLKNE-UHFFFAOYSA-N -1 3 382.283 3.073 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Br)CCCCC1 ZINC000594884798 567523964 /nfs/dbraw/zinc/52/39/64/567523964.db2.gz WYFFOLFDLIPHOT-UHFFFAOYSA-N -1 3 389.290 3.482 10 30 GGEEHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504296522 567528414 /nfs/dbraw/zinc/52/84/14/567528414.db2.gz DEGPNXFKNPJWCU-LLVKDONJSA-N -1 3 376.247 3.179 10 30 GGEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354707 567557163 /nfs/dbraw/zinc/55/71/63/567557163.db2.gz QKQQTCMGSJYRHX-ROUUACIJSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354709 567558204 /nfs/dbraw/zinc/55/82/04/567558204.db2.gz QKQQTCMGSJYRHX-ZWKOTPCHSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353780 567558238 /nfs/dbraw/zinc/55/82/38/567558238.db2.gz MIMYSYXRDZJJPU-MSOLQXFVSA-N -1 3 378.881 3.248 10 30 GGEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000481077278 567657532 /nfs/dbraw/zinc/65/75/32/567657532.db2.gz USDZOXXKHLLFIP-QGZVFWFLSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000553533094 567663319 /nfs/dbraw/zinc/66/33/19/567663319.db2.gz ILQVPDABRVJVBH-MRXNPFEDSA-N -1 3 392.278 3.145 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000553831433 567689171 /nfs/dbraw/zinc/68/91/71/567689171.db2.gz YMBOWSJCZUOBSD-VMPITWQZSA-N -1 3 377.263 3.312 10 30 GGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000442809051 567709301 /nfs/dbraw/zinc/70/93/01/567709301.db2.gz JCEIRZXLVPVAIC-GFCCVEGCSA-N -1 3 387.219 3.416 10 30 GGEEHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443082428 567730166 /nfs/dbraw/zinc/73/01/66/567730166.db2.gz AIHYMECVAPTNBL-LLVKDONJSA-N -1 3 380.853 3.268 10 30 GGEEHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000532764791 567733592 /nfs/dbraw/zinc/73/35/92/567733592.db2.gz ZMZDAUZMGCSIQS-VIFPVBQESA-N -1 3 385.205 3.438 10 30 GGEEHM Cc1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)sc1Br ZINC000443227463 567741299 /nfs/dbraw/zinc/74/12/99/567741299.db2.gz POSJLLWEAWWIFK-UHFFFAOYSA-N -1 3 377.329 3.427 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000443219880 567741488 /nfs/dbraw/zinc/74/14/88/567741488.db2.gz DTYUZHDQVVFORA-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM C[C@]1(C#N)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000598414928 567763772 /nfs/dbraw/zinc/76/37/72/567763772.db2.gz JZLFGJVWZNDBLB-MRXNPFEDSA-N -1 3 394.656 3.320 10 30 GGEEHM C[C@]1(C#N)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000598414928 567763777 /nfs/dbraw/zinc/76/37/77/567763777.db2.gz JZLFGJVWZNDBLB-MRXNPFEDSA-N -1 3 394.656 3.320 10 30 GGEEHM CC(N=Nc1n[n-]c(SCC(=O)NC2CC2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000020159852 570245047 /nfs/dbraw/zinc/24/50/47/570245047.db2.gz XNOOCKBWVLBMSG-SSDVNMTOSA-N -1 3 388.541 3.180 10 30 GGEEHM CC(N=Nc1nnc(SCC(=O)NC2CC2)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000020159852 570245051 /nfs/dbraw/zinc/24/50/51/570245051.db2.gz XNOOCKBWVLBMSG-SSDVNMTOSA-N -1 3 388.541 3.180 10 30 GGEEHM CC(N=Nc1nc(SCC(=O)NC2CC2)n[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000020159852 570245053 /nfs/dbraw/zinc/24/50/53/570245053.db2.gz XNOOCKBWVLBMSG-SSDVNMTOSA-N -1 3 388.541 3.180 10 30 GGEEHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2ccccc2OC(F)F)n1 ZINC000058314227 570726996 /nfs/dbraw/zinc/72/69/96/570726996.db2.gz VXNSKPZSWBGBIO-VIFPVBQESA-N -1 3 391.334 3.073 10 30 GGEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)ccc1F ZINC000040070116 570907879 /nfs/dbraw/zinc/90/78/79/570907879.db2.gz PLQPIYXQTBCDRF-AWEZNQCLSA-N -1 3 390.480 3.343 10 30 GGEEHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177999001 1428924013 /nfs/dbraw/zinc/92/40/13/1428924013.db2.gz GBLUQPMYEWMGGX-UHFFFAOYSA-N -1 3 390.428 3.475 10 30 GGEEHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000173537341 1426712851 /nfs/dbraw/zinc/71/28/51/1426712851.db2.gz HFPFWOIFRUHSBY-UHFFFAOYSA-N -1 3 388.342 3.073 10 30 GGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1sccn1Cc1ccccc1 ZINC000254707141 1433871741 /nfs/dbraw/zinc/87/17/41/1433871741.db2.gz PBAQBXODAAJBEV-UHFFFAOYSA-N -1 3 392.484 3.247 10 30 GGEEHM N#Cc1c2c(sc1NC(=O)c1n[n-]c([N+](=O)[O-])c1Br)CCCC2 ZINC000020160649 207181494 /nfs/dbraw/zinc/18/14/94/207181494.db2.gz RPGKPWKFMXRDMY-UHFFFAOYSA-N -1 3 396.226 3.145 10 30 GGEEHM N#Cc1c2c(sc1NC(=O)c1[n-]nc([N+](=O)[O-])c1Br)CCCC2 ZINC000020160649 207181496 /nfs/dbraw/zinc/18/14/96/207181496.db2.gz RPGKPWKFMXRDMY-UHFFFAOYSA-N -1 3 396.226 3.145 10 30 GGEEHM COc1cc(Br)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)C)cc1Cl ZINC000089791182 208109426 /nfs/dbraw/zinc/10/94/26/208109426.db2.gz BKCUHBSLTXSINI-ZDUSSCGKSA-N -1 3 395.706 3.328 10 30 GGEEHM COc1cc(Br)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)C)cc1Cl ZINC000089791181 208110028 /nfs/dbraw/zinc/11/00/28/208110028.db2.gz BKCUHBSLTXSINI-CYBMUJFWSA-N -1 3 395.706 3.328 10 30 GGEEHM N#Cc1ccc(-c2cccn3nc([N-]c4cnn(C[C@H]5CCCO5)c4)nc23)cc1 ZINC000095616927 222359110 /nfs/dbraw/zinc/35/91/10/222359110.db2.gz XHCPXDAZLQCZDG-GOSISDBHSA-N -1 3 385.431 3.387 10 30 GGEEHM C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000033274692 518884024 /nfs/dbraw/zinc/88/40/24/518884024.db2.gz XUDFECYFSUZQSB-UHFFFAOYSA-N -1 3 384.501 3.438 10 30 GGEEHM CC/N=C1/S/C(=C\c2cc(Br)c([O-])c(OC)c2)C(=O)N1CC ZINC000102944386 520206992 /nfs/dbraw/zinc/20/69/92/520206992.db2.gz IGFDMHMHOCBCGD-AKIMYXQNSA-N -1 3 385.283 3.475 10 30 GGEEHM COc1cc(/C=C2\Oc3c(cc(CN(C)C)c([O-])c3C)C2=O)cc(OC)c1OC ZINC000094993465 521964931 /nfs/dbraw/zinc/96/49/31/521964931.db2.gz VSQRJSHVARCFRK-APSNUPSMSA-N -1 3 399.443 3.404 10 30 GGEEHM COCc1cc(=O)[n-]c(NC(=N)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000020459038 522906012 /nfs/dbraw/zinc/90/60/12/522906012.db2.gz RWCDZNPSFUHOSN-UHFFFAOYSA-N -1 3 399.838 3.420 10 30 GGEEHM N#CC1(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)CCCC1 ZINC000013137775 526438460 /nfs/dbraw/zinc/43/84/60/526438460.db2.gz DCHJGSPIZRHBQK-UHFFFAOYSA-N -1 3 377.470 3.465 10 30 GGEEHM C=C(C)[C@@H](CC(=O)Nc1cc(I)ccc1[O-])OCC ZINC000611130138 566891651 /nfs/dbraw/zinc/89/16/51/566891651.db2.gz WEAPELGXEFUUNK-CYBMUJFWSA-N -1 3 375.206 3.307 10 30 GGEEHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(F)cc1F ZINC000055581522 564624178 /nfs/dbraw/zinc/62/41/78/564624178.db2.gz AUVJNEPLKXIXFN-UHFFFAOYSA-N -1 3 386.763 3.077 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c(F)c1 ZINC000154466219 565040268 /nfs/dbraw/zinc/04/02/68/565040268.db2.gz KFJYSGAANVDSEI-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000155184807 565063789 /nfs/dbraw/zinc/06/37/89/565063789.db2.gz OMPLIIWBZJZVPK-SECBINFHSA-N -1 3 386.296 3.125 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccs1 ZINC000155234247 565064909 /nfs/dbraw/zinc/06/49/09/565064909.db2.gz WWBCDOPBRWQJDM-GFCCVEGCSA-N -1 3 386.296 3.207 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000371642138 565203396 /nfs/dbraw/zinc/20/33/96/565203396.db2.gz LRCBJMGZTYKTQA-QAPCUYQASA-N -1 3 376.865 3.268 10 30 GGEEHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186438762 565260858 /nfs/dbraw/zinc/26/08/58/565260858.db2.gz SKGGCEQKCQPBIB-SECBINFHSA-N -1 3 385.205 3.438 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000295495421 565269205 /nfs/dbraw/zinc/26/92/05/565269205.db2.gz BEGQDLYMGFTITL-ONGXEEELSA-N -1 3 377.691 3.463 10 30 GGEEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000373735620 565299568 /nfs/dbraw/zinc/29/95/68/565299568.db2.gz ILTZJNKRAUBILN-BLLLJJGKSA-N -1 3 381.548 3.043 10 30 GGEEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000373735622 565299772 /nfs/dbraw/zinc/29/97/72/565299772.db2.gz ILTZJNKRAUBILN-MLGOLLRUSA-N -1 3 381.548 3.043 10 30 GGEEHM Cc1nsc([N-]C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c1C#N ZINC000298766283 565428488 /nfs/dbraw/zinc/42/84/88/565428488.db2.gz VOHOGGOTZAMWGA-UHFFFAOYSA-N -1 3 379.467 3.057 10 30 GGEEHM N#Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)nc2ccc(Cl)cc12 ZINC000301802910 565510904 /nfs/dbraw/zinc/51/09/04/565510904.db2.gz XBTGJCFUAFCUBP-UHFFFAOYSA-N -1 3 392.893 3.212 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cc1C#N ZINC000314423935 565586142 /nfs/dbraw/zinc/58/61/42/565586142.db2.gz YEAQPDDQAGTGPL-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cc1C#N ZINC000314495138 565587827 /nfs/dbraw/zinc/58/78/27/565587827.db2.gz KYBSWSBBETXGGP-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332996647 565861619 /nfs/dbraw/zinc/86/16/19/565861619.db2.gz ATEYLXHDSXUKND-HOCLYGCPSA-N -1 3 399.900 3.136 10 30 GGEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180185208 566041107 /nfs/dbraw/zinc/04/11/07/566041107.db2.gz PNUQHIXWXMBHNE-MRXNPFEDSA-N -1 3 386.807 3.156 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000416433944 566068619 /nfs/dbraw/zinc/06/86/19/566068619.db2.gz RPMLUCOJMOPGLX-NSHDSACASA-N -1 3 379.226 3.177 10 30 GGEEHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000416532968 566082182 /nfs/dbraw/zinc/08/21/82/566082182.db2.gz SLULPWCLTAHTQI-UHFFFAOYSA-N -1 3 382.283 3.215 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416560641 566087210 /nfs/dbraw/zinc/08/72/10/566087210.db2.gz LRZWJBLYSWAFQR-UHFFFAOYSA-N -1 3 393.253 3.423 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000183531884 566248531 /nfs/dbraw/zinc/24/85/31/566248531.db2.gz CQVMQUMLLRVAGN-UHFFFAOYSA-N -1 3 375.881 3.159 10 30 GGEEHM C=CCCSCC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599339717 566254775 /nfs/dbraw/zinc/25/47/75/566254775.db2.gz RKVXCTCUHFGELJ-UHFFFAOYSA-N -1 3 385.429 3.181 10 30 GGEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000556323689 566285724 /nfs/dbraw/zinc/28/57/24/566285724.db2.gz RRNRWTGWPFIMRJ-KGLIPLIRSA-N -1 3 397.294 3.009 10 30 GGEEHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000535778779 566326246 /nfs/dbraw/zinc/32/62/46/566326246.db2.gz VIQYIGLZNOPBEM-VIFPVBQESA-N -1 3 380.516 3.462 10 30 GGEEHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000535778778 566326557 /nfs/dbraw/zinc/32/65/57/566326557.db2.gz VIQYIGLZNOPBEM-SECBINFHSA-N -1 3 380.516 3.462 10 30 GGEEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000462602594 566332283 /nfs/dbraw/zinc/33/22/83/566332283.db2.gz FWHZOHPBEIWNBS-UHFFFAOYSA-N -1 3 389.424 3.117 10 30 GGEEHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C1CC1 ZINC000600653921 566356231 /nfs/dbraw/zinc/35/62/31/566356231.db2.gz QLSIENFUQZXGOC-HNNXBMFYSA-N -1 3 387.299 3.186 10 30 GGEEHM CN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000484273851 566423483 /nfs/dbraw/zinc/42/34/83/566423483.db2.gz FZPFLKMGACKPIV-UHFFFAOYSA-N -1 3 396.244 3.434 10 30 GGEEHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000558076784 566447382 /nfs/dbraw/zinc/44/73/82/566447382.db2.gz RKGDPUXUHSYZJA-CQSZACIVSA-N -1 3 383.256 3.418 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000464415831 566474279 /nfs/dbraw/zinc/47/42/79/566474279.db2.gz BQLPNHJMTVDLCW-AWEZNQCLSA-N -1 3 375.288 3.064 10 30 GGEEHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424069362 566507958 /nfs/dbraw/zinc/50/79/58/566507958.db2.gz PKDZFIYDRKEPIE-GFCCVEGCSA-N -1 3 389.315 3.432 10 30 GGEEHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578917323 566564431 /nfs/dbraw/zinc/56/44/31/566564431.db2.gz OJJAPUSTSUOQHK-IINYFYTJSA-N -1 3 394.718 3.362 10 30 GGEEHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000486689305 566613891 /nfs/dbraw/zinc/61/38/91/566613891.db2.gz OQZFOZWSOGUYFD-NSHDSACASA-N -1 3 379.226 3.177 10 30 GGEEHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000486689206 566614026 /nfs/dbraw/zinc/61/40/26/566614026.db2.gz OQZFOZWSOGUYFD-LLVKDONJSA-N -1 3 379.226 3.177 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540069617 566626556 /nfs/dbraw/zinc/62/65/56/566626556.db2.gz XNASSLIEASTTQI-KSSFIOAISA-N -1 3 376.865 3.268 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486826345 566627106 /nfs/dbraw/zinc/62/71/06/566627106.db2.gz PAYAWEFUJCENHL-MRVPVSSYSA-N -1 3 393.387 3.353 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000561546737 566718100 /nfs/dbraw/zinc/71/81/00/566718100.db2.gz WVMKGLJBXVFOPW-UHFFFAOYSA-N -1 3 380.363 3.333 10 30 GGEEHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427103514 566746406 /nfs/dbraw/zinc/74/64/06/566746406.db2.gz YGUSBPZKRRNQFW-UHFFFAOYSA-N -1 3 378.841 3.064 10 30 GGEEHM CC(C)(C#N)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000541781059 566747152 /nfs/dbraw/zinc/74/71/52/566747152.db2.gz YVZOJAPRRSVQHH-UHFFFAOYSA-N -1 3 386.296 3.153 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000562386066 566786261 /nfs/dbraw/zinc/78/62/61/566786261.db2.gz CBKPERZIHLPJER-UHFFFAOYSA-N -1 3 383.189 3.050 10 30 GGEEHM C=CCCn1cc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)nn1 ZINC000655464243 566801759 /nfs/dbraw/zinc/80/17/59/566801759.db2.gz HQBKWOCHOXWLGY-UHFFFAOYSA-N -1 3 376.873 3.497 10 30 GGEEHM N#Cc1ccc(CC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610490720 566836986 /nfs/dbraw/zinc/83/69/86/566836986.db2.gz HPVSLBDFWOYWEX-UHFFFAOYSA-N -1 3 378.169 3.050 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cc(C(F)(F)F)on1 ZINC000490466141 566855494 /nfs/dbraw/zinc/85/54/94/566855494.db2.gz YQIMOAKNGRSOPE-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cc(C(F)(F)F)on1 ZINC000490475785 566857112 /nfs/dbraw/zinc/85/71/12/566857112.db2.gz GGDJNIHOJZNGRQ-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451717275 566869566 /nfs/dbraw/zinc/86/95/66/566869566.db2.gz BVJKKLVHZHGYRX-STQMWFEESA-N -1 3 376.400 3.356 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c(C(F)(F)F)c1 ZINC000582778751 566893394 /nfs/dbraw/zinc/89/33/94/566893394.db2.gz ZXMAFJMUXRNVPA-GFCCVEGCSA-N -1 3 390.452 3.389 10 30 GGEEHM C=CCOc1cccnc1C(=O)Nc1cc(I)ccc1[O-] ZINC000611406988 566916459 /nfs/dbraw/zinc/91/64/59/566916459.db2.gz NXVAENHCNTWITE-UHFFFAOYSA-N -1 3 396.184 3.209 10 30 GGEEHM CC(C)(CCC#N)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000563994478 566935152 /nfs/dbraw/zinc/93/51/52/566935152.db2.gz LAGUFVFZOSJSOA-UHFFFAOYSA-N -1 3 376.254 3.350 10 30 GGEEHM COc1ccc(CNCc2ccc(C#N)c(OC)c2)c(Br)c1[O-] ZINC000583469731 566954381 /nfs/dbraw/zinc/95/43/81/566954381.db2.gz BFMIAXROTRQBGS-UHFFFAOYSA-N -1 3 377.238 3.333 10 30 GGEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036564 567004984 /nfs/dbraw/zinc/00/49/84/567004984.db2.gz JTMKUCGEXHXIFF-GDBMZVCRSA-N -1 3 382.551 3.066 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)CCCC1 ZINC000564891262 567017598 /nfs/dbraw/zinc/01/75/98/567017598.db2.gz XAVYNMZVQHLCQB-UHFFFAOYSA-N -1 3 379.482 3.453 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CCC1 ZINC000521118112 567041829 /nfs/dbraw/zinc/04/18/29/567041829.db2.gz KAEZJSWYVUFPSI-KRWDZBQOSA-N -1 3 382.913 3.421 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)cn1 ZINC000585731221 567083990 /nfs/dbraw/zinc/08/39/90/567083990.db2.gz BGHIBQGIGGITJI-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)cn1 ZINC000585731221 567083996 /nfs/dbraw/zinc/08/39/96/567083996.db2.gz BGHIBQGIGGITJI-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000585731221 567084002 /nfs/dbraw/zinc/08/40/02/567084002.db2.gz BGHIBQGIGGITJI-UHFFFAOYSA-N -1 3 394.192 3.218 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000431642120 567099374 /nfs/dbraw/zinc/09/93/74/567099374.db2.gz ZOAJMSGBUHPXED-AWEZNQCLSA-N -1 3 378.475 3.248 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)c(F)c1 ZINC000523563084 567162294 /nfs/dbraw/zinc/16/22/94/567162294.db2.gz MTFNZXSKHJJHCA-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM N#Cc1cscc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000433236690 567235449 /nfs/dbraw/zinc/23/54/49/567235449.db2.gz RLYSOISFPAZNGV-UHFFFAOYSA-N -1 3 388.250 3.274 10 30 GGEEHM N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Br)cc1 ZINC000499417631 567246819 /nfs/dbraw/zinc/24/68/19/567246819.db2.gz HVKGEEHVGDIPIY-MRXNPFEDSA-N -1 3 382.217 3.285 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Br)cccc32)s1 ZINC000499741437 567269121 /nfs/dbraw/zinc/26/91/21/567269121.db2.gz UQUDSLXSZVDVOG-LBPRGKRZSA-N -1 3 399.291 3.184 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000475779466 567275837 /nfs/dbraw/zinc/27/58/37/567275837.db2.gz JIRVUOBPWVITES-UHFFFAOYSA-N -1 3 377.828 3.353 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1Br ZINC000433865067 567278172 /nfs/dbraw/zinc/27/81/72/567278172.db2.gz NJUXOVYDTZKXKG-JTQLQIEISA-N -1 3 379.226 3.177 10 30 GGEEHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337136 567316100 /nfs/dbraw/zinc/31/61/00/567316100.db2.gz JWWAPKTVMNOQEA-QZTJIDSGSA-N -1 3 376.865 3.229 10 30 GGEEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000592114969 567316750 /nfs/dbraw/zinc/31/67/50/567316750.db2.gz ATNXOVTXMHAROS-NEPJUHHUSA-N -1 3 384.885 3.000 10 30 GGEEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C(C)C ZINC000592353972 567332841 /nfs/dbraw/zinc/33/28/41/567332841.db2.gz XVVMAEQJWDMNFW-AWEZNQCLSA-N -1 3 375.288 3.042 10 30 GGEEHM CN(C(=O)c1cnc2ccc(Br)cc2c1[O-])c1cccc(C#N)c1 ZINC000569210728 567387201 /nfs/dbraw/zinc/38/72/01/567387201.db2.gz ZNKVRMROOZTCKQ-UHFFFAOYSA-N -1 3 382.217 3.439 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCCC1 ZINC000593623056 567429589 /nfs/dbraw/zinc/42/95/89/567429589.db2.gz HYEKLFZGULQSDT-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM CCCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593530261 567420649 /nfs/dbraw/zinc/42/06/49/567420649.db2.gz IRJOHZQKGDPPFC-UHFFFAOYSA-N -1 3 380.491 3.286 10 30 GGEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593525410 567420846 /nfs/dbraw/zinc/42/08/46/567420846.db2.gz FTXHSOYOJNDPMR-QGZVFWFLSA-N -1 3 378.475 3.067 10 30 GGEEHM CCOc1c(Cl)cc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593533054 567422167 /nfs/dbraw/zinc/42/21/67/567422167.db2.gz JFKWXEHZADCTIA-UHFFFAOYSA-N -1 3 386.882 3.159 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593537639 567422296 /nfs/dbraw/zinc/42/22/96/567422296.db2.gz IRCGVNXWHYSMOE-GFCCVEGCSA-N -1 3 381.910 3.078 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccc(Cl)s1 ZINC000593545262 567422453 /nfs/dbraw/zinc/42/24/53/567422453.db2.gz REWZGLHJKKAZQV-LBPRGKRZSA-N -1 3 398.893 3.489 10 30 GGEEHM CC(C)(C)OC(=O)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552954 567423654 /nfs/dbraw/zinc/42/36/54/567423654.db2.gz UYHRRYSOKPNUSF-UHFFFAOYSA-N -1 3 378.475 3.054 10 30 GGEEHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552704 567423987 /nfs/dbraw/zinc/42/39/87/567423987.db2.gz HONFTZVXCKPGPD-MAUKXSAKSA-N -1 3 376.503 3.374 10 30 GGEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568077 567425164 /nfs/dbraw/zinc/42/51/64/567425164.db2.gz UVWCUXNXGFPKEI-CJNGLKHVSA-N -1 3 399.900 3.136 10 30 GGEEHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)OC(C)C ZINC000593578060 567425822 /nfs/dbraw/zinc/42/58/22/567425822.db2.gz JVSANBPZZQLGAC-OAHLLOKOSA-N -1 3 380.491 3.073 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000593603532 567426787 /nfs/dbraw/zinc/42/67/87/567426787.db2.gz VSEOKPHZJYGMFV-GFCCVEGCSA-N -1 3 390.408 3.041 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000593603533 567427256 /nfs/dbraw/zinc/42/72/56/567427256.db2.gz VSEOKPHZJYGMFV-LBPRGKRZSA-N -1 3 390.408 3.041 10 30 GGEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccccc2Br)CCC1 ZINC000593616466 567428219 /nfs/dbraw/zinc/42/82/19/567428219.db2.gz LIGLUUQHBLXNIQ-UHFFFAOYSA-N -1 3 392.278 3.073 10 30 GGEEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593623398 567430111 /nfs/dbraw/zinc/43/01/11/567430111.db2.gz JSCIPXARGUBKAG-CYBMUJFWSA-N -1 3 386.901 3.116 10 30 GGEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1Cl ZINC000619753278 567478519 /nfs/dbraw/zinc/47/85/19/567478519.db2.gz UMTFTNCUMBRHTF-UHFFFAOYSA-N -1 3 375.759 3.104 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594487779 567481841 /nfs/dbraw/zinc/48/18/41/567481841.db2.gz JJQHYBOVFFTZQF-GFCCVEGCSA-N -1 3 399.310 3.091 10 30 GGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000594488205 567482276 /nfs/dbraw/zinc/48/22/76/567482276.db2.gz QMXPKYAXRUDETB-UONOGXRCSA-N -1 3 376.400 3.203 10 30 GGEEHM CO[C@H](CC[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(F)(F)F ZINC000594778130 567511883 /nfs/dbraw/zinc/51/18/83/567511883.db2.gz GENVZHIQFJIOLI-CYBMUJFWSA-N -1 3 392.424 3.327 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000594805115 567514661 /nfs/dbraw/zinc/51/46/61/567514661.db2.gz UNMJNJUDUCRENO-LBPRGKRZSA-N -1 3 381.910 3.078 10 30 GGEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1(F)F ZINC000594855989 567520412 /nfs/dbraw/zinc/52/04/12/567520412.db2.gz DTLAFWYDZRWJSM-GFCCVEGCSA-N -1 3 379.226 3.034 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)CCCC1 ZINC000595368923 567559458 /nfs/dbraw/zinc/55/94/58/567559458.db2.gz AVEUZJKCNYSMCM-ZDUSSCGKSA-N -1 3 377.293 3.030 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000553455872 567655137 /nfs/dbraw/zinc/65/51/37/567655137.db2.gz CKGXTENMOWVKJO-SWLSCSKDSA-N -1 3 377.263 3.155 10 30 GGEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000481079886 567657385 /nfs/dbraw/zinc/65/73/85/567657385.db2.gz XNJLOFIKLLRHNL-QGZVFWFLSA-N -1 3 382.844 3.158 10 30 GGEEHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000572729216 567661409 /nfs/dbraw/zinc/66/14/09/567661409.db2.gz TZXIEXZIGFLVGD-LBPRGKRZSA-N -1 3 397.216 3.438 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000553806370 567687353 /nfs/dbraw/zinc/68/73/53/567687353.db2.gz FPDMKMCKGCTFDA-DOMZBBRYSA-N -1 3 395.253 3.294 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000481578748 567689808 /nfs/dbraw/zinc/68/98/08/567689808.db2.gz HCDRIFWEVUJDDK-UHFFFAOYSA-N -1 3 377.828 3.353 10 30 GGEEHM C=CCN1CCC([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000573151759 567692229 /nfs/dbraw/zinc/69/22/29/567692229.db2.gz RUSYMOAZARAMFA-UHFFFAOYSA-N -1 3 393.734 3.031 10 30 GGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000442809061 567709877 /nfs/dbraw/zinc/70/98/77/567709877.db2.gz JCEIRZXLVPVAIC-LBPRGKRZSA-N -1 3 387.219 3.416 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000443026350 567724087 /nfs/dbraw/zinc/72/40/87/567724087.db2.gz AFBKWRWHVFLIGH-UHFFFAOYSA-N -1 3 378.881 3.487 10 30 GGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(F)cc(Br)c1 ZINC000443022746 567724739 /nfs/dbraw/zinc/72/47/39/567724739.db2.gz KTAFTTOVARTXHU-UHFFFAOYSA-N -1 3 387.205 3.077 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000443225579 567740982 /nfs/dbraw/zinc/74/09/82/567740982.db2.gz LDWVIGWYLYJXME-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443253189 567743416 /nfs/dbraw/zinc/74/34/16/567743416.db2.gz RZDRTKXVVQDKEI-MSOLQXFVSA-N -1 3 376.865 3.229 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000554972200 567760273 /nfs/dbraw/zinc/76/02/73/567760273.db2.gz GMUBPEPOEYPRFM-WBVHZDCISA-N -1 3 376.865 3.410 10 30 GGEEHM C[C@@]1(C#N)CCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000598414927 567763573 /nfs/dbraw/zinc/76/35/73/567763573.db2.gz JZLFGJVWZNDBLB-INIZCTEOSA-N -1 3 394.656 3.320 10 30 GGEEHM C[C@@]1(C#N)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000598414927 567763575 /nfs/dbraw/zinc/76/35/75/567763575.db2.gz JZLFGJVWZNDBLB-INIZCTEOSA-N -1 3 394.656 3.320 10 30 GGEEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526512 570324794 /nfs/dbraw/zinc/32/47/94/570324794.db2.gz VCEMBBDBGUJMOH-GFCCVEGCSA-N -1 3 382.449 3.069 10 30 GGEEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526512 570324795 /nfs/dbraw/zinc/32/47/95/570324795.db2.gz VCEMBBDBGUJMOH-GFCCVEGCSA-N -1 3 382.449 3.069 10 30 GGEEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526512 570324797 /nfs/dbraw/zinc/32/47/97/570324797.db2.gz VCEMBBDBGUJMOH-GFCCVEGCSA-N -1 3 382.449 3.069 10 30 GGEEHM COc1ccc(C=[NH+][N-]c2nnc(SCc3ccc([N+](=O)[O-])cc3)[n-]2)cc1 ZINC000009695130 570560684 /nfs/dbraw/zinc/56/06/84/570560684.db2.gz SBIADXBNGBDDCW-VCHYOVAHSA-N -1 3 384.421 3.460 10 30 GGEEHM COc1ccc(C=NNc2nnc(SCc3ccc([N+](=O)[O-])cc3)[n-]2)cc1 ZINC000009695130 570560685 /nfs/dbraw/zinc/56/06/85/570560685.db2.gz SBIADXBNGBDDCW-VCHYOVAHSA-N -1 3 384.421 3.460 10 30 GGEEHM N#Cc1ccc(-c2ccc(OCC(=O)N3NC=C[C@@]3([O-])C(F)(F)F)cc2)cc1 ZINC000005505070 570615197 /nfs/dbraw/zinc/61/51/97/570615197.db2.gz QHHNTJYQWZFBNF-GOSISDBHSA-N -1 3 389.333 3.073 10 30 GGEEHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2ccccc2OC(F)F)n1 ZINC000058314230 570726770 /nfs/dbraw/zinc/72/67/70/570726770.db2.gz VXNSKPZSWBGBIO-SECBINFHSA-N -1 3 391.334 3.073 10 30 GGEEHM COC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccccc2[O-])C1=O ZINC000101728135 570901169 /nfs/dbraw/zinc/90/11/69/570901169.db2.gz ZHRPTTWPJPWDKH-XNTDXEJSSA-N -1 3 398.396 3.454 10 30 GGEEHM CN(C)c1nc(=NN=Cc2cc(Cl)ccc2[O-])nc(NCc2ccccc2)[nH]1 ZINC000252592403 571001630 /nfs/dbraw/zinc/00/16/30/571001630.db2.gz BFGLCDBDQDOIFF-UHFFFAOYSA-N -1 3 397.870 3.355 10 30 GGEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000012750335 571002643 /nfs/dbraw/zinc/00/26/43/571002643.db2.gz XHJAVUDKMCANJL-UHFFFAOYSA-N -1 3 387.392 3.045 10 30 GGEEHM N#Cc1ccc(-c2cccn3nc([N-]c4cnn(C[C@@H]5CCCO5)c4)nc23)cc1 ZINC000095616926 211282728 /nfs/dbraw/zinc/28/27/28/211282728.db2.gz XHCPXDAZLQCZDG-SFHVURJKSA-N -1 3 385.431 3.387 10 30 GGEEHM COc1ccc(/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000020248032 210324624 /nfs/dbraw/zinc/32/46/24/210324624.db2.gz ODNUDZAJMYYPQF-JVMRMLDLSA-N -1 3 386.429 3.315 10 30 GGEEHM CCN(CC)S(=O)(=O)c1ccc(C(C#N)=C([O-])c2ccc(C)c(C)c2)nc1 ZINC000058157921 520809324 /nfs/dbraw/zinc/80/93/24/520809324.db2.gz XJXVDRUDHLVFDV-GOSISDBHSA-N -1 3 385.489 3.219 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 ZINC000011373245 564262706 /nfs/dbraw/zinc/26/27/06/564262706.db2.gz YVFLIMLAGJHTLP-JTQLQIEISA-N -1 3 398.271 3.171 10 30 GGEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000121099287 564353390 /nfs/dbraw/zinc/35/33/90/564353390.db2.gz YEHRTRQPXYOWJM-OAHLLOKOSA-N -1 3 378.416 3.043 10 30 GGEEHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000123675983 564457655 /nfs/dbraw/zinc/45/76/55/564457655.db2.gz AJQHKAOSEHZAAW-UHFFFAOYSA-N -1 3 385.214 3.269 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1Cl ZINC000137642609 564863220 /nfs/dbraw/zinc/86/32/20/564863220.db2.gz SJFHSRSHWUTUHJ-UHFFFAOYSA-N -1 3 385.228 3.452 10 30 GGEEHM O=C1[N-]C(=Cc2ccc(Br)cc2)C(=O)C1=CNCc1ccccc1 ZINC000104251668 564953922 /nfs/dbraw/zinc/95/39/22/564953922.db2.gz IJGYTFDJDWWEMP-OAQJMXGDSA-N -1 3 383.245 3.163 10 30 GGEEHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C#N ZINC000104634276 564957268 /nfs/dbraw/zinc/95/72/68/564957268.db2.gz RACDDEITIHPWTN-UHFFFAOYSA-N -1 3 389.380 3.262 10 30 GGEEHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1Cl ZINC000105621264 564970637 /nfs/dbraw/zinc/97/06/37/564970637.db2.gz MVMQLXFGZJZHSL-UHFFFAOYSA-N -1 3 389.235 3.491 10 30 GGEEHM C=CCC(F)(F)C(=O)[N-]Cc1csc(N(C)C(=O)C(F)(F)CC=C)n1 ZINC000293402228 565165470 /nfs/dbraw/zinc/16/54/70/565165470.db2.gz MNNXRLQWUSQUEQ-UHFFFAOYSA-N -1 3 379.379 3.145 10 30 GGEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000160835185 565261102 /nfs/dbraw/zinc/26/11/02/565261102.db2.gz BPOCJLDXDDLRFK-LLVKDONJSA-N -1 3 386.296 3.153 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000161166000 565276786 /nfs/dbraw/zinc/27/67/86/565276786.db2.gz ORATVDWOONKRJN-ZDUSSCGKSA-N -1 3 387.299 3.208 10 30 GGEEHM C=CCC(F)(F)C(=O)[N-]Cc1c(Br)cncc1Br ZINC000295789010 565287434 /nfs/dbraw/zinc/28/74/34/565287434.db2.gz RGDIYEBQSVMVRR-UHFFFAOYSA-N -1 3 384.018 3.434 10 30 GGEEHM C=CCCC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000303991892 565576719 /nfs/dbraw/zinc/57/67/19/565576719.db2.gz ZRXVMJKXUFAZFG-UHFFFAOYSA-N -1 3 383.105 3.456 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)cc1C#N ZINC000314107299 565586307 /nfs/dbraw/zinc/58/63/07/565586307.db2.gz HSNMKAFKWSOHDJ-UHFFFAOYSA-N -1 3 386.658 3.478 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282417767 565778381 /nfs/dbraw/zinc/77/83/81/565778381.db2.gz FKBHPFXSKKNJQB-UHFFFAOYSA-N -1 3 387.299 3.066 10 30 GGEEHM COC(=O)c1sc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(C)c1Cl ZINC000282429259 565779622 /nfs/dbraw/zinc/77/96/22/565779622.db2.gz FZADSDVVKBPACW-UHFFFAOYSA-N -1 3 390.914 3.105 10 30 GGEEHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000282467424 565780103 /nfs/dbraw/zinc/78/01/03/565780103.db2.gz IGFAOAXSIAHGIB-UHFFFAOYSA-N -1 3 387.299 3.066 10 30 GGEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332996645 565861153 /nfs/dbraw/zinc/86/11/53/565861153.db2.gz ATEYLXHDSXUKND-GDBMZVCRSA-N -1 3 399.900 3.136 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000364379691 566048810 /nfs/dbraw/zinc/04/88/10/566048810.db2.gz CJUFEFDIDBMQMJ-MAUKXSAKSA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000364379692 566049309 /nfs/dbraw/zinc/04/93/09/566049309.db2.gz CJUFEFDIDBMQMJ-QAPCUYQASA-N -1 3 376.865 3.268 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000416433943 566068478 /nfs/dbraw/zinc/06/84/78/566068478.db2.gz RPMLUCOJMOPGLX-LLVKDONJSA-N -1 3 379.226 3.177 10 30 GGEEHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416561166 566087198 /nfs/dbraw/zinc/08/71/98/566087198.db2.gz MVHWLDKSCAQILZ-UHFFFAOYSA-N -1 3 393.253 3.423 10 30 GGEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000599307284 566253165 /nfs/dbraw/zinc/25/31/65/566253165.db2.gz QCNUYVAMLWPPEO-UHFFFAOYSA-N -1 3 380.388 3.202 10 30 GGEEHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000599319506 566253848 /nfs/dbraw/zinc/25/38/48/566253848.db2.gz FXEGUXCNHLZVEZ-QWRGUYRKSA-N -1 3 375.263 3.257 10 30 GGEEHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000599391351 566262724 /nfs/dbraw/zinc/26/27/24/566262724.db2.gz YMVRLFOBCKGTJL-LLVKDONJSA-N -1 3 378.475 3.496 10 30 GGEEHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509265854 566284543 /nfs/dbraw/zinc/28/45/43/566284543.db2.gz WQVCHGGLRZKBFZ-GXFFZTMASA-N -1 3 394.718 3.362 10 30 GGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000625328136 566306815 /nfs/dbraw/zinc/30/68/15/566306815.db2.gz RSXNLVIKIQTNGE-UHFFFAOYSA-N -1 3 392.315 3.347 10 30 GGEEHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000462618311 566333707 /nfs/dbraw/zinc/33/37/07/566333707.db2.gz LRKUGNGDFYSRPN-CQSZACIVSA-N -1 3 383.256 3.418 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000536757267 566400379 /nfs/dbraw/zinc/40/03/79/566400379.db2.gz MNRGUHJEQVWWST-KBXCAEBGSA-N -1 3 376.865 3.268 10 30 GGEEHM C=CCC[C@H](C(=O)N=c1[n-]n(C)cc1I)c1ccccc1 ZINC000602391068 566467422 /nfs/dbraw/zinc/46/74/22/566467422.db2.gz RCLRESKXXOTXIA-ZDUSSCGKSA-N -1 3 395.244 3.135 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000486509849 566595222 /nfs/dbraw/zinc/59/52/22/566595222.db2.gz CTUINKWONYZYMX-UHFFFAOYSA-N -1 3 385.228 3.452 10 30 GGEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000425176483 566611417 /nfs/dbraw/zinc/61/14/17/566611417.db2.gz AACARFVDCMZZAP-HOCLYGCPSA-N -1 3 385.913 3.388 10 30 GGEEHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000425187590 566612994 /nfs/dbraw/zinc/61/29/94/566612994.db2.gz FTRVLMLYICPXEY-WCBMZHEXSA-N -1 3 397.216 3.438 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540069616 566626581 /nfs/dbraw/zinc/62/65/81/566626581.db2.gz XNASSLIEASTTQI-KDOFPFPSSA-N -1 3 376.865 3.268 10 30 GGEEHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C#N)c2C)c(=O)[n-]1 ZINC000425625738 566661449 /nfs/dbraw/zinc/66/14/49/566661449.db2.gz GRSTZZFRYYKCCA-UHFFFAOYSA-N -1 3 389.253 3.313 10 30 GGEEHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000487363731 566667043 /nfs/dbraw/zinc/66/70/43/566667043.db2.gz GQFGDURTNMNVBE-KRWDZBQOSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c(Cl)c1 ZINC000580780773 566723509 /nfs/dbraw/zinc/72/35/09/566723509.db2.gz DEFAMOPSEGBVCX-NVXWUHKLSA-N -1 3 376.865 3.410 10 30 GGEEHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)s1 ZINC000610262951 566820837 /nfs/dbraw/zinc/82/08/37/566820837.db2.gz JXUFZZJEFQXIIW-UHFFFAOYSA-N -1 3 389.271 3.308 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cc(C(F)(F)F)on1 ZINC000490472645 566855284 /nfs/dbraw/zinc/85/52/84/566855284.db2.gz TYFQMAYFDYPLSN-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c(C(F)(F)F)c1 ZINC000582778752 566892583 /nfs/dbraw/zinc/89/25/83/566892583.db2.gz ZXMAFJMUXRNVPA-LBPRGKRZSA-N -1 3 390.452 3.389 10 30 GGEEHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000582987755 566912176 /nfs/dbraw/zinc/91/21/76/566912176.db2.gz QRJYGKKPCZAXPH-ZDUSSCGKSA-N -1 3 382.283 3.214 10 30 GGEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036567 567005511 /nfs/dbraw/zinc/00/55/11/567005511.db2.gz JTMKUCGEXHXIFF-ZBFHGGJFSA-N -1 3 382.551 3.066 10 30 GGEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036566 567005595 /nfs/dbraw/zinc/00/55/95/567005595.db2.gz JTMKUCGEXHXIFF-HOCLYGCPSA-N -1 3 382.551 3.066 10 30 GGEEHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cscc2C#N)c(F)cc1F ZINC000584119996 567013543 /nfs/dbraw/zinc/01/35/43/567013543.db2.gz SMDINBMEJUDASN-UHFFFAOYSA-N -1 3 385.417 3.302 10 30 GGEEHM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)c1cnccc1C(F)(F)F ZINC000682369920 567039657 /nfs/dbraw/zinc/03/96/57/567039657.db2.gz LRBJZHXNBIAMOE-UHFFFAOYSA-N -1 3 388.264 3.135 10 30 GGEEHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1Cl ZINC000431181323 567063764 /nfs/dbraw/zinc/06/37/64/567063764.db2.gz JRDUJYJKNTVAIQ-UHFFFAOYSA-N -1 3 385.228 3.452 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000588109815 567114406 /nfs/dbraw/zinc/11/44/06/567114406.db2.gz PHFSAUCURWBXEO-UHFFFAOYSA-N -1 3 375.631 3.046 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c1 ZINC000432277389 567144060 /nfs/dbraw/zinc/14/40/60/567144060.db2.gz PFUOQODJANKMNZ-UHFFFAOYSA-N -1 3 389.786 3.146 10 30 GGEEHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000588943130 567146143 /nfs/dbraw/zinc/14/61/43/567146143.db2.gz ZVMWGZMVHJVHOQ-CYBMUJFWSA-N -1 3 382.283 3.214 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(C(F)(F)F)n1 ZINC000432297112 567147287 /nfs/dbraw/zinc/14/72/87/567147287.db2.gz PNRPRQQWIQRFOK-UHFFFAOYSA-N -1 3 389.786 3.146 10 30 GGEEHM C=C[C@](C)(CCOC)C(=O)Nc1cc(I)ccc1[O-] ZINC000615137547 567165992 /nfs/dbraw/zinc/16/59/92/567165992.db2.gz DQPTXRDPXIIJAL-CQSZACIVSA-N -1 3 375.206 3.164 10 30 GGEEHM COc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000547287597 567196302 /nfs/dbraw/zinc/19/63/02/567196302.db2.gz FOQSQAJDTCOROX-CYBMUJFWSA-N -1 3 391.221 3.167 10 30 GGEEHM COc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc(OC)c1[O-] ZINC000547287598 567196606 /nfs/dbraw/zinc/19/66/06/567196606.db2.gz FOQSQAJDTCOROX-ZDUSSCGKSA-N -1 3 391.221 3.167 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)ccc1F ZINC000432949925 567208154 /nfs/dbraw/zinc/20/81/54/567208154.db2.gz PAMDCURVHQIXPO-CQSZACIVSA-N -1 3 376.306 3.260 10 30 GGEEHM N#C[C@]1(C(=O)Nc2cc(I)ccc2[O-])CC12CCCC2 ZINC000590666600 567237279 /nfs/dbraw/zinc/23/72/79/567237279.db2.gz BZARSZYBHGLFGY-HNNXBMFYSA-N -1 3 382.201 3.409 10 30 GGEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000616425542 567246233 /nfs/dbraw/zinc/24/62/33/567246233.db2.gz MOALPWUGYXKIIP-KRWDZBQOSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Br)cccc32)s1 ZINC000499741430 567269954 /nfs/dbraw/zinc/26/99/54/567269954.db2.gz UQUDSLXSZVDVOG-GFCCVEGCSA-N -1 3 399.291 3.184 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000476312020 567313528 /nfs/dbraw/zinc/31/35/28/567313528.db2.gz RBMBXXUFRRZWDT-FTLABTOESA-N -1 3 376.865 3.443 10 30 GGEEHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337135 567315932 /nfs/dbraw/zinc/31/59/32/567315932.db2.gz JWWAPKTVMNOQEA-MSOLQXFVSA-N -1 3 376.865 3.229 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000435434678 567366745 /nfs/dbraw/zinc/36/67/45/567366745.db2.gz ZKADIAKRZDJTMW-UHFFFAOYSA-N -1 3 382.894 3.257 10 30 GGEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501526466 567394689 /nfs/dbraw/zinc/39/46/89/567394689.db2.gz YSCPCSQBZDPJLV-GFCCVEGCSA-N -1 3 392.315 3.107 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000593527453 567420762 /nfs/dbraw/zinc/42/07/62/567420762.db2.gz WASWEEKROZLYST-UHFFFAOYSA-N -1 3 395.937 3.216 10 30 GGEEHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccsc2C#N)N2CCCC2)cc1 ZINC000593539578 567422282 /nfs/dbraw/zinc/42/22/82/567422282.db2.gz XPOGTNWGFQCBFC-INIZCTEOSA-N -1 3 375.519 3.044 10 30 GGEEHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552706 567423507 /nfs/dbraw/zinc/42/35/07/567423507.db2.gz HONFTZVXCKPGPD-YJBOKZPZSA-N -1 3 376.503 3.374 10 30 GGEEHM Cc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(OCC(F)(F)F)c1 ZINC000593560393 567424423 /nfs/dbraw/zinc/42/44/23/567424423.db2.gz NAGFQONYJODYMU-UHFFFAOYSA-N -1 3 390.408 3.348 10 30 GGEEHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552705 567424436 /nfs/dbraw/zinc/42/44/36/567424436.db2.gz HONFTZVXCKPGPD-QAPCUYQASA-N -1 3 376.503 3.374 10 30 GGEEHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593563658 567425227 /nfs/dbraw/zinc/42/52/27/567425227.db2.gz QOVPFILXGPZTSF-UHFFFAOYSA-N -1 3 378.523 3.115 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]CCc1cccc(OCC(F)(F)F)c1 ZINC000593592934 567426626 /nfs/dbraw/zinc/42/66/26/567426626.db2.gz ZHSANRCYEIZAOE-UHFFFAOYSA-N -1 3 390.408 3.082 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CN1CCCCC1)c1ccccc1 ZINC000593583659 567427326 /nfs/dbraw/zinc/42/73/26/567427326.db2.gz WPKQHRNZMCWCHC-INIZCTEOSA-N -1 3 375.519 3.125 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC1 ZINC000593620501 567428634 /nfs/dbraw/zinc/42/86/34/567428634.db2.gz IYLGUOBQHVVPGV-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594480039 567480060 /nfs/dbraw/zinc/48/00/60/567480060.db2.gz YYEQIUNDUJOYLK-LBPRGKRZSA-N -1 3 378.416 3.307 10 30 GGEEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594480038 567480626 /nfs/dbraw/zinc/48/06/26/567480626.db2.gz YYEQIUNDUJOYLK-GFCCVEGCSA-N -1 3 378.416 3.307 10 30 GGEEHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cscc2C#N)ccc1F ZINC000551404280 567503194 /nfs/dbraw/zinc/50/31/94/567503194.db2.gz NVLPJKGIDGRPRU-UHFFFAOYSA-N -1 3 381.454 3.088 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000503722564 567503264 /nfs/dbraw/zinc/50/32/64/567503264.db2.gz DXILIIOQBBMPCM-FTLABTOESA-N -1 3 376.865 3.443 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c(Cl)c1 ZINC000503758821 567505166 /nfs/dbraw/zinc/50/51/66/567505166.db2.gz BKLQJRPHSMMIGS-UHFFFAOYSA-N -1 3 385.272 3.360 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000594779793 567511529 /nfs/dbraw/zinc/51/15/29/567511529.db2.gz VADWKMQYFJSJKL-CABZTGNLSA-N -1 3 377.691 3.463 10 30 GGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000594779435 567512213 /nfs/dbraw/zinc/51/22/13/567512213.db2.gz OBNXGCJQXAOJNE-UHFFFAOYSA-N -1 3 382.482 3.126 10 30 GGEEHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594856876 567520954 /nfs/dbraw/zinc/52/09/54/567520954.db2.gz JVBZUQXZYNYECP-LBPRGKRZSA-N -1 3 379.226 3.034 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)cn1 ZINC000594868610 567522413 /nfs/dbraw/zinc/52/24/13/567522413.db2.gz NFWZPFBKJSNQHG-UHFFFAOYSA-N -1 3 389.321 3.285 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000594869669 567522892 /nfs/dbraw/zinc/52/28/92/567522892.db2.gz PSYNBUAEAXSDSC-UHFFFAOYSA-N -1 3 375.263 3.341 10 30 GGEEHM N#CC1(c2ccc(CNCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000594959144 567528607 /nfs/dbraw/zinc/52/86/07/567528607.db2.gz UOLFYXVTRZJUBD-UHFFFAOYSA-N -1 3 395.937 3.025 10 30 GGEEHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504329532 567529761 /nfs/dbraw/zinc/52/97/61/567529761.db2.gz ORPYDUWCMYNDAU-LLVKDONJSA-N -1 3 376.247 3.179 10 30 GGEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352213 567557180 /nfs/dbraw/zinc/55/71/80/567557180.db2.gz ANCMQGSPVUKUQM-ZWKOTPCHSA-N -1 3 378.881 3.248 10 30 GGEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353079 567557902 /nfs/dbraw/zinc/55/79/02/567557902.db2.gz HZLSACFVTKLJAI-MSOLQXFVSA-N -1 3 378.881 3.248 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)CCCC1 ZINC000595368922 567558819 /nfs/dbraw/zinc/55/88/19/567558819.db2.gz AVEUZJKCNYSMCM-CYBMUJFWSA-N -1 3 377.293 3.030 10 30 GGEEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000530154454 567576485 /nfs/dbraw/zinc/57/64/85/567576485.db2.gz RGORIIXPKHBBJX-CQSZACIVSA-N -1 3 380.388 3.200 10 30 GGEEHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccc(C#N)cc3F)CCCC2)n1 ZINC000481044597 567654063 /nfs/dbraw/zinc/65/40/63/567654063.db2.gz WIQMPBRGFFJENG-UHFFFAOYSA-N -1 3 379.482 3.351 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000553455873 567655193 /nfs/dbraw/zinc/65/51/93/567655193.db2.gz CKGXTENMOWVKJO-WFASDCNBSA-N -1 3 377.263 3.155 10 30 GGEEHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc(C#N)o2)c1 ZINC000459808146 567659863 /nfs/dbraw/zinc/65/98/63/567659863.db2.gz AFTHPURRQQBEGQ-UHFFFAOYSA-N -1 3 381.841 3.087 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000553806371 567687278 /nfs/dbraw/zinc/68/72/78/567687278.db2.gz FPDMKMCKGCTFDA-IUODEOHRSA-N -1 3 395.253 3.294 10 30 GGEEHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000532764790 567732905 /nfs/dbraw/zinc/73/29/05/567732905.db2.gz ZMZDAUZMGCSIQS-SECBINFHSA-N -1 3 385.205 3.438 10 30 GGEEHM N#CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000598305799 567755011 /nfs/dbraw/zinc/75/50/11/567755011.db2.gz ZSCCSJUTQZPBDH-UHFFFAOYSA-N -1 3 388.265 3.494 10 30 GGEEHM CCN(C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)[C@@H](C)C#N ZINC000598361896 567758521 /nfs/dbraw/zinc/75/85/21/567758521.db2.gz RTODWCBQUXQMAG-QMMMGPOBSA-N -1 3 382.645 3.318 10 30 GGEEHM CCN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-])[C@@H](C)C#N ZINC000598361896 567758524 /nfs/dbraw/zinc/75/85/24/567758524.db2.gz RTODWCBQUXQMAG-QMMMGPOBSA-N -1 3 382.645 3.318 10 30 GGEEHM CCOC([O-])=NC(=O)CSc1cc(CC)c(C#N)c2nc3ccccc3n21 ZINC000005312207 570552370 /nfs/dbraw/zinc/55/23/70/570552370.db2.gz XSSUCNQOPGNGEN-UHFFFAOYSA-N -1 3 382.445 3.286 10 30 GGEEHM CCOC(=O)[N-]C(=O)CSc1cc(CC)c(C#N)c2nc3ccccc3n21 ZINC000005312207 570552375 /nfs/dbraw/zinc/55/23/75/570552375.db2.gz XSSUCNQOPGNGEN-UHFFFAOYSA-N -1 3 382.445 3.286 10 30 GGEEHM O=c1c(C=NC[C@H]2CCCO2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000102643656 570856814 /nfs/dbraw/zinc/85/68/14/570856814.db2.gz ITCGAWSXFRCAGK-INRAOFHCSA-N -1 3 396.394 3.392 10 30 GGEEHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCCCC1 ZINC000161839006 1424776362 /nfs/dbraw/zinc/77/63/62/1424776362.db2.gz WIJDBTBJSJIFLS-UHFFFAOYSA-N -1 3 375.263 3.483 10 30 GGEEHM C=CCc1cc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc(OC)c1OC ZINC000051467736 1405815697 /nfs/dbraw/zinc/81/56/97/1405815697.db2.gz DITUDXCVPIVKJS-UHFFFAOYSA-N -1 3 384.432 3.026 10 30 GGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 ZINC000014245460 221307426 /nfs/dbraw/zinc/30/74/26/221307426.db2.gz YVFLIMLAGJHTLP-SNVBAGLBSA-N -1 3 398.271 3.171 10 30 GGEEHM COC(=O)c1ccc(-c2noc(C(=O)[N-]c3ccc(C#N)c(Cl)c3)n2)cc1 ZINC000083895793 222312879 /nfs/dbraw/zinc/31/28/79/222312879.db2.gz AQSJGICGWFCDEN-UHFFFAOYSA-N -1 3 382.763 3.301 10 30 GGEEHM CC(=[NH+][N-]c1nnc(SCC(=O)Nc2c(C)cccc2C)[n-]1)c1cccnc1 ZINC000020418149 518467240 /nfs/dbraw/zinc/46/72/40/518467240.db2.gz AEURIUIYWUIGBG-OEAKJJBVSA-N -1 3 395.492 3.383 10 30 GGEEHM CN(C)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)c3ccccc3)[n-]2)cc1 ZINC000005929924 522135382 /nfs/dbraw/zinc/13/53/82/522135382.db2.gz SQOOMONQIBZIPL-UDWIEESQSA-N -1 3 380.477 3.292 10 30 GGEEHM COc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2[O-])cc1OC ZINC000097474834 523432157 /nfs/dbraw/zinc/43/21/57/523432157.db2.gz JYJAITQMASHBJO-UTCJRWHESA-N -1 3 391.217 3.428 10 30 GGEEHM COc1cccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2[O-])c1OC ZINC000097474832 525770018 /nfs/dbraw/zinc/77/00/18/525770018.db2.gz BXERHTFLZJTXRT-VURMDHGXSA-N -1 3 391.217 3.428 10 30 GGEEHM C=CCNC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000029873034 564374661 /nfs/dbraw/zinc/37/46/61/564374661.db2.gz JSQNPGSGHWDBKH-UHFFFAOYSA-N -1 3 377.516 3.249 10 30 GGEEHM C=CCCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000135653907 564838446 /nfs/dbraw/zinc/83/84/46/564838446.db2.gz HJQOSSMLWMNXCL-UHFFFAOYSA-N -1 3 384.548 3.326 10 30 GGEEHM N#Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000139046787 564867979 /nfs/dbraw/zinc/86/79/79/564867979.db2.gz SEWMIZOTAJVAJQ-UHFFFAOYSA-N -1 3 378.201 3.165 10 30 GGEEHM CCOc1cc(C#N)cc(Br)c1OCC(=O)[N-]c1onc(C)c1C ZINC000267088877 565103666 /nfs/dbraw/zinc/10/36/66/565103666.db2.gz LRPFTVVYQBBNIH-UHFFFAOYSA-N -1 3 394.225 3.342 10 30 GGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)ccc1Cl ZINC000156942953 565112288 /nfs/dbraw/zinc/11/22/88/565112288.db2.gz KRCNCUPXZUTUTI-UHFFFAOYSA-N -1 3 379.800 3.036 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCOCc2ccccc2)c1 ZINC000184277554 565125146 /nfs/dbraw/zinc/12/51/46/565125146.db2.gz KJRUGGWODWVEDI-UHFFFAOYSA-N -1 3 378.881 3.487 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000157832705 565144647 /nfs/dbraw/zinc/14/46/47/565144647.db2.gz LTXMBMAAQYPKHM-LLVKDONJSA-N -1 3 375.397 3.463 10 30 GGEEHM O=C(CCOCC(F)(F)C(F)(F)F)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000294067792 565197899 /nfs/dbraw/zinc/19/78/99/565197899.db2.gz ZOYGURLLYBNOOS-ZETCQYMHSA-N -1 3 386.264 3.467 10 30 GGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000295491972 565268940 /nfs/dbraw/zinc/26/89/40/565268940.db2.gz AZSBDDKUXLLMJB-ONGXEEELSA-N -1 3 377.691 3.463 10 30 GGEEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000373735621 565299820 /nfs/dbraw/zinc/29/98/20/565299820.db2.gz ILTZJNKRAUBILN-LRDDRELGSA-N -1 3 381.548 3.043 10 30 GGEEHM N#Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000314116807 565586159 /nfs/dbraw/zinc/58/61/59/565586159.db2.gz APLSTOKYKKOULM-UHFFFAOYSA-N -1 3 385.670 3.453 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000410146184 565667033 /nfs/dbraw/zinc/66/70/33/565667033.db2.gz USCOLBAQTAAZGC-SECBINFHSA-N -1 3 375.397 3.382 10 30 GGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000410146185 565667244 /nfs/dbraw/zinc/66/72/44/565667244.db2.gz USCOLBAQTAAZGC-VIFPVBQESA-N -1 3 375.397 3.382 10 30 GGEEHM C=CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000176666405 565793162 /nfs/dbraw/zinc/79/31/62/565793162.db2.gz PPJUWQTZNWYZLN-SNVBAGLBSA-N -1 3 375.475 3.169 10 30 GGEEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332996648 565861526 /nfs/dbraw/zinc/86/15/26/565861526.db2.gz ATEYLXHDSXUKND-ZBFHGGJFSA-N -1 3 399.900 3.136 10 30 GGEEHM C=CCCCN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179951385 566020801 /nfs/dbraw/zinc/02/08/01/566020801.db2.gz COZKXQUNHMXKBP-UHFFFAOYSA-N -1 3 396.228 3.171 10 30 GGEEHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(F)cc1Br ZINC000416492253 566076458 /nfs/dbraw/zinc/07/64/58/566076458.db2.gz CGGGIABJRDSNPN-QWRGUYRKSA-N -1 3 375.263 3.257 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000416674986 566103032 /nfs/dbraw/zinc/10/30/32/566103032.db2.gz WNPSTOQHRPVNOE-UHFFFAOYSA-N -1 3 397.216 3.440 10 30 GGEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000535847790 566331621 /nfs/dbraw/zinc/33/16/21/566331621.db2.gz JVJULGDJIRWGCN-HNNXBMFYSA-N -1 3 388.221 3.108 10 30 GGEEHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 ZINC000576573793 566359385 /nfs/dbraw/zinc/35/93/85/566359385.db2.gz UESAKZYZTSEFMF-HNNXBMFYSA-N -1 3 384.910 3.311 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000536757290 566400359 /nfs/dbraw/zinc/40/03/59/566400359.db2.gz MNRGUHJEQVWWST-KDOFPFPSSA-N -1 3 376.865 3.268 10 30 GGEEHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000510638545 566401199 /nfs/dbraw/zinc/40/11/99/566401199.db2.gz RJZDSSZTQUVDJA-OAHLLOKOSA-N -1 3 380.828 3.325 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccn3)cs2)CCCCC1 ZINC000601527916 566411412 /nfs/dbraw/zinc/41/14/12/566411412.db2.gz XNXGAWHAMPUPKJ-UHFFFAOYSA-N -1 3 376.507 3.099 10 30 GGEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000463468669 566412227 /nfs/dbraw/zinc/41/22/27/566412227.db2.gz BMFSLCLOCPYQRO-JTQLQIEISA-N -1 3 385.205 3.294 10 30 GGEEHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557808119 566420236 /nfs/dbraw/zinc/42/02/36/566420236.db2.gz KBJXTBLJHNNBRQ-UHFFFAOYSA-N -1 3 387.324 3.195 10 30 GGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000577292738 566422442 /nfs/dbraw/zinc/42/24/42/566422442.db2.gz GMUBPEPOEYPRFM-NVXWUHKLSA-N -1 3 376.865 3.410 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000557838553 566426127 /nfs/dbraw/zinc/42/61/27/566426127.db2.gz GUCYSNPYSDPPQH-SECBINFHSA-N -1 3 379.226 3.177 10 30 GGEEHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cc(Br)cc1[N+](=O)[O-] ZINC000577496613 566440644 /nfs/dbraw/zinc/44/06/44/566440644.db2.gz ITVMRLDMEDBXDO-UHFFFAOYSA-N -1 3 390.259 3.347 10 30 GGEEHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000447875392 566441910 /nfs/dbraw/zinc/44/19/10/566441910.db2.gz QSKCNHXTMIDQFB-SNVBAGLBSA-N -1 3 383.285 3.090 10 30 GGEEHM O=C([O-])CN(CCOCC(F)(F)C(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000577856798 566471259 /nfs/dbraw/zinc/47/12/59/566471259.db2.gz HUAZFHFTRHBDES-UHFFFAOYSA-N -1 3 377.256 3.066 10 30 GGEEHM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)c1cccnc1C(F)(F)F ZINC000672389646 566485530 /nfs/dbraw/zinc/48/55/30/566485530.db2.gz BECDXBOKLFJUMZ-UHFFFAOYSA-N -1 3 388.264 3.135 10 30 GGEEHM C=CC(C)(C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000628317074 566546636 /nfs/dbraw/zinc/54/66/36/566546636.db2.gz VHGXTESROPGAIU-UHFFFAOYSA-N -1 3 382.507 3.152 10 30 GGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000486833354 566626643 /nfs/dbraw/zinc/62/66/43/566626643.db2.gz PIBNZNJOSOQTMB-ZETCQYMHSA-N -1 3 379.360 3.212 10 30 GGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000513850403 566631052 /nfs/dbraw/zinc/63/10/52/566631052.db2.gz SZZBFZUHKRYAPO-UHFFFAOYSA-N -1 3 385.272 3.360 10 30 GGEEHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(F)(F)F ZINC000580171487 566670816 /nfs/dbraw/zinc/67/08/16/566670816.db2.gz PYAHNMTYROJMLM-UHFFFAOYSA-N -1 3 385.205 3.188 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)o1 ZINC000426605551 566720719 /nfs/dbraw/zinc/72/07/19/566720719.db2.gz OPJUSKUNXXEATP-UHFFFAOYSA-N -1 3 383.165 3.416 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)o1 ZINC000426605551 566720721 /nfs/dbraw/zinc/72/07/21/566720721.db2.gz OPJUSKUNXXEATP-UHFFFAOYSA-N -1 3 383.165 3.416 10 30 GGEEHM N#Cc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)o1 ZINC000426605551 566720724 /nfs/dbraw/zinc/72/07/24/566720724.db2.gz OPJUSKUNXXEATP-UHFFFAOYSA-N -1 3 383.165 3.416 10 30 GGEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000468775529 566728460 /nfs/dbraw/zinc/72/84/60/566728460.db2.gz BMFSLCLOCPYQRO-SNVBAGLBSA-N -1 3 385.205 3.294 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000609019381 566746094 /nfs/dbraw/zinc/74/60/94/566746094.db2.gz RTUMIMPQNMMKLZ-SECBINFHSA-N -1 3 375.397 3.382 10 30 GGEEHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000469014205 566753511 /nfs/dbraw/zinc/75/35/11/566753511.db2.gz QFEPZRFIONFWFJ-JTQLQIEISA-N -1 3 383.285 3.090 10 30 GGEEHM N#CC1(CS(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000561990424 566755433 /nfs/dbraw/zinc/75/54/33/566755433.db2.gz LXRJSWKKSOXTEL-QGZVFWFLSA-N -1 3 375.881 3.438 10 30 GGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)cc1C#N ZINC000427304252 566763622 /nfs/dbraw/zinc/76/36/22/566763622.db2.gz IRFKFWTYVTVVSN-UHFFFAOYSA-N -1 3 392.278 3.314 10 30 GGEEHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000516809246 566784483 /nfs/dbraw/zinc/78/44/83/566784483.db2.gz UUEWFDMHZYZVKT-UHFFFAOYSA-N -1 3 395.278 3.409 10 30 GGEEHM CCn1cc(Br)c(=O)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000542520734 566808570 /nfs/dbraw/zinc/80/85/70/566808570.db2.gz HQGKXXMMMLEIGL-UHFFFAOYSA-N -1 3 382.164 3.033 10 30 GGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1F ZINC000489802750 566811168 /nfs/dbraw/zinc/81/11/68/566811168.db2.gz LJEKQUZKVPOSNB-AWEZNQCLSA-N -1 3 376.306 3.260 10 30 GGEEHM CC(C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cc(C(F)(F)F)on1 ZINC000490475051 566857132 /nfs/dbraw/zinc/85/71/32/566857132.db2.gz GELWNNXDUMSCOS-UHFFFAOYSA-N -1 3 393.774 3.432 10 30 GGEEHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000582987750 566911940 /nfs/dbraw/zinc/91/19/40/566911940.db2.gz QRJYGKKPCZAXPH-CYBMUJFWSA-N -1 3 382.283 3.214 10 30 GGEEHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000611619286 566932642 /nfs/dbraw/zinc/93/26/42/566932642.db2.gz FSZYOWAIBLZXNN-UHFFFAOYSA-N -1 3 385.205 3.296 10 30 GGEEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1Cl ZINC000493133100 566943765 /nfs/dbraw/zinc/94/37/65/566943765.db2.gz OIRBYDUZDUFUIR-UHFFFAOYSA-N -1 3 385.228 3.452 10 30 GGEEHM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1C#N ZINC000564760181 567005934 /nfs/dbraw/zinc/00/59/34/567005934.db2.gz MGZXAINTOQNWGO-UHFFFAOYSA-N -1 3 389.235 3.491 10 30 GGEEHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Br)c1 ZINC000496288588 567073497 /nfs/dbraw/zinc/07/34/97/567073497.db2.gz BUGPFMREMUAPOM-INIZCTEOSA-N -1 3 382.217 3.285 10 30 GGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000433098785 567222517 /nfs/dbraw/zinc/22/25/17/567222517.db2.gz XMDFXGIDIODCBQ-SECBINFHSA-N -1 3 386.296 3.125 10 30 GGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccs1 ZINC000433872713 567279863 /nfs/dbraw/zinc/27/98/63/567279863.db2.gz AFENTJBUKSREIQ-GFCCVEGCSA-N -1 3 386.296 3.207 10 30 GGEEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C(C)C ZINC000592353973 567332766 /nfs/dbraw/zinc/33/27/66/567332766.db2.gz XVVMAEQJWDMNFW-CQSZACIVSA-N -1 3 375.288 3.042 10 30 GGEEHM COc1cc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC(C)C ZINC000593530449 567420979 /nfs/dbraw/zinc/42/09/79/567420979.db2.gz IMRLKWKSPUFOON-LBPRGKRZSA-N -1 3 380.491 3.455 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CCOCC1 ZINC000593543688 567422236 /nfs/dbraw/zinc/42/22/36/567422236.db2.gz OOFONXCXJJSWMV-UHFFFAOYSA-N -1 3 396.921 3.300 10 30 GGEEHM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593538632 567422441 /nfs/dbraw/zinc/42/24/41/567422441.db2.gz UFCVUHPJOBZVGN-UHFFFAOYSA-N -1 3 377.491 3.083 10 30 GGEEHM Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593540182 567422580 /nfs/dbraw/zinc/42/25/80/567422580.db2.gz MZQLIUJEQWVWAE-ZDUSSCGKSA-N -1 3 395.937 3.386 10 30 GGEEHM COCCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544014 567422672 /nfs/dbraw/zinc/42/26/72/567422672.db2.gz SUSDGTJFDFPWOL-GFCCVEGCSA-N -1 3 382.532 3.398 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)nc1 ZINC000593538833 567422735 /nfs/dbraw/zinc/42/27/35/567422735.db2.gz QLJGUAZUZBLCFH-UHFFFAOYSA-N -1 3 377.491 3.205 10 30 GGEEHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)N2CCCC2)cc1 ZINC000593539579 567422795 /nfs/dbraw/zinc/42/27/95/567422795.db2.gz XPOGTNWGFQCBFC-MRXNPFEDSA-N -1 3 375.519 3.044 10 30 GGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(CCOCc2ccccc2)CC1 ZINC000593579205 567425776 /nfs/dbraw/zinc/42/57/76/567425776.db2.gz VJILGCMTJIZHCP-UHFFFAOYSA-N -1 3 376.503 3.285 10 30 GGEEHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000593623539 567430268 /nfs/dbraw/zinc/43/02/68/567430268.db2.gz NQMRAJKIHKZSJZ-UHFFFAOYSA-N -1 3 377.691 3.465 10 30 GGEEHM C[C@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])n1cnc(C#N)n1 ZINC000594380814 567471581 /nfs/dbraw/zinc/47/15/81/567471581.db2.gz AGHHFBPSQXXVAY-SECBINFHSA-N -1 3 392.257 3.115 10 30 GGEEHM Cc1cc(Br)c(C[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000594854488 567521346 /nfs/dbraw/zinc/52/13/46/567521346.db2.gz MWJLXWKGTSPRHE-UHFFFAOYSA-N -1 3 377.329 3.322 10 30 GGEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727553 567505275 /nfs/dbraw/zinc/50/52/75/567505275.db2.gz PZJVCQOEVGLBPQ-LLVKDONJSA-N -1 3 383.720 3.026 10 30 GGEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1(F)F ZINC000594857659 567520630 /nfs/dbraw/zinc/52/06/30/567520630.db2.gz NEHIVEVSFUUXGS-GFCCVEGCSA-N -1 3 379.226 3.034 10 30 GGEEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1(F)F ZINC000594858649 567521194 /nfs/dbraw/zinc/52/11/94/567521194.db2.gz UKUVFZQWKVDYEF-LBPRGKRZSA-N -1 3 379.226 3.034 10 30 GGEEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594869513 567522175 /nfs/dbraw/zinc/52/21/75/567522175.db2.gz MLSIYPGVEGJBCA-UHFFFAOYSA-N -1 3 387.299 3.210 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884794 567524017 /nfs/dbraw/zinc/52/40/17/567524017.db2.gz WTOQXDWVBVOQHA-UHFFFAOYSA-N -1 3 382.283 3.073 10 30 GGEEHM C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000504277756 567528225 /nfs/dbraw/zinc/52/82/25/567528225.db2.gz YHSCXFTWWROURN-UHFFFAOYSA-N -1 3 384.910 3.437 10 30 GGEEHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000553455871 567655350 /nfs/dbraw/zinc/65/53/50/567655350.db2.gz CKGXTENMOWVKJO-IUODEOHRSA-N -1 3 377.263 3.155 10 30 GGEEHM O=S(=O)([N-]C1CCN(CC#Cc2ccccc2Cl)CC1)c1cccs1 ZINC000441160895 567655710 /nfs/dbraw/zinc/65/57/10/567655710.db2.gz YYOZSFSKSHSIRS-UHFFFAOYSA-N -1 3 394.949 3.196 10 30 GGEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000481077275 567656784 /nfs/dbraw/zinc/65/67/84/567656784.db2.gz USDZOXXKHLLFIP-KRWDZBQOSA-N -1 3 382.844 3.158 10 30 GGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000481602116 567691236 /nfs/dbraw/zinc/69/12/36/567691236.db2.gz VEMWUEGFZIZPEB-UHFFFAOYSA-N -1 3 377.828 3.353 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000443223224 567741314 /nfs/dbraw/zinc/74/13/14/567741314.db2.gz GAWROQHIDFWJMI-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000443218930 567741620 /nfs/dbraw/zinc/74/16/20/567741620.db2.gz FZDHAMOHFJKXRW-UHFFFAOYSA-N -1 3 375.263 3.196 10 30 GGEEHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443253195 567743869 /nfs/dbraw/zinc/74/38/69/567743869.db2.gz RZDRTKXVVQDKEI-ROUUACIJSA-N -1 3 376.865 3.229 10 30 GGEEHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443253198 567744128 /nfs/dbraw/zinc/74/41/28/567744128.db2.gz RZDRTKXVVQDKEI-ZWKOTPCHSA-N -1 3 376.865 3.229 10 30 GGEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000114673871 1412493041 /nfs/dbraw/zinc/49/30/41/1412493041.db2.gz BCBYIMUMVTYIKT-HZPDHXFCSA-N -1 3 385.489 3.281 10 30 GGEEHM