smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001600185942 970774734 /nfs/dbraw/zinc/77/47/34/970774734.db2.gz HBBZNHIWSYLNPL-ZYJWKWEGSA-N -1 0 381.407 3.120 20 50 GGGDRM CC(=O)c1ccc(Nc2ccccc2C(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001602772522 971504051 /nfs/dbraw/zinc/50/40/51/971504051.db2.gz CWFZALVVMMAFQV-UHFFFAOYSA-N -1 0 390.399 3.483 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1c(Cl)cc(F)cc1Br ZINC001595262055 949680202 /nfs/dbraw/zinc/68/02/02/949680202.db2.gz OZIGGYGIKPGNFT-UHFFFAOYSA-N -1 0 388.580 3.092 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589645659 949731167 /nfs/dbraw/zinc/73/11/67/949731167.db2.gz NNMKMEWNROPTIU-MRXNPFEDSA-N -1 0 378.469 3.154 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001589656028 949818745 /nfs/dbraw/zinc/81/87/45/949818745.db2.gz PLOXYAIVJDWQGU-MDZDMXLPSA-N -1 0 387.461 3.351 20 50 GGGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001589660105 949858238 /nfs/dbraw/zinc/85/82/38/949858238.db2.gz DKHYJJLWFZYADA-GZTJUZNOSA-N -1 0 383.423 3.463 20 50 GGGDRM CC(C)(C)C[C@@H](NC(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1)c1ccc(F)cc1 ZINC001573842604 950152042 /nfs/dbraw/zinc/15/20/42/950152042.db2.gz IZKYTDVQQHRNCE-OAHLLOKOSA-N -1 0 398.446 3.204 20 50 GGGDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C1 ZINC001595012371 951257625 /nfs/dbraw/zinc/25/76/25/951257625.db2.gz CUUGGTJREKDVPE-DHSIGJKJSA-N -1 0 380.282 3.195 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)[O-])c2C)cc1 ZINC001592255273 951318308 /nfs/dbraw/zinc/31/83/08/951318308.db2.gz JJSCKIWCKZXTRT-CRRKTRLDSA-N -1 0 395.459 3.379 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)CCC(=O)[O-])c2C)cc1 ZINC001592255287 951318885 /nfs/dbraw/zinc/31/88/85/951318885.db2.gz LBFMMSUUNYMSSH-AQTBWJFISA-N -1 0 395.459 3.333 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNc2cccc3c2OC(F)(F)O3)c1 ZINC001595064474 951537574 /nfs/dbraw/zinc/53/75/74/951537574.db2.gz XGYDCYWAAJUZIF-UHFFFAOYSA-N -1 0 379.319 3.174 20 50 GGGDRM O=C([O-])COc1cccc(C(=O)NN=c2[nH]c3ccc(Cl)cc3s2)c1 ZINC001595123403 951985350 /nfs/dbraw/zinc/98/53/50/951985350.db2.gz XDDQTKXESLGEIZ-UHFFFAOYSA-N -1 0 377.809 3.170 20 50 GGGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1cc(Br)ccc1F ZINC001595136513 952057063 /nfs/dbraw/zinc/05/70/63/952057063.db2.gz KEHMHYUFFYYLFM-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM O=C([O-])c1cccc(CNC(=O)NNc2cccc(F)c2Br)c1 ZINC001594771765 953564676 /nfs/dbraw/zinc/56/46/76/953564676.db2.gz WSXAUKCFSYWTRW-UHFFFAOYSA-N -1 0 382.189 3.113 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001593628769 953575305 /nfs/dbraw/zinc/57/53/05/953575305.db2.gz SBWZKEGUTPMBQV-GFCCVEGCSA-N -1 0 386.290 3.385 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001593628770 953575952 /nfs/dbraw/zinc/57/59/52/953575952.db2.gz SBWZKEGUTPMBQV-LBPRGKRZSA-N -1 0 386.290 3.385 20 50 GGGDRM CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001602959374 971944340 /nfs/dbraw/zinc/94/43/40/971944340.db2.gz TXWBXOBLAREESR-UHFFFAOYSA-N -1 0 392.415 3.284 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNc2ccc(OC(F)F)cc2)c2ccccc21 ZINC001594780155 953623787 /nfs/dbraw/zinc/62/37/87/953623787.db2.gz LBIOLIRCEMZMKI-CABCVRRESA-N -1 0 377.347 3.227 20 50 GGGDRM O=C([O-])c1c(F)ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c1Cl ZINC001594780424 953625038 /nfs/dbraw/zinc/62/50/38/953625038.db2.gz PSQZNTOLRAIOMM-UHFFFAOYSA-N -1 0 386.698 3.373 20 50 GGGDRM O=C([O-])C1CCC(NC(=O)NNc2ccc(Cl)c(Br)c2)CC1 ZINC001594780211 953625165 /nfs/dbraw/zinc/62/51/65/953625165.db2.gz NTSRSWDSADCHKA-UHFFFAOYSA-N -1 0 390.665 3.372 20 50 GGGDRM O=C([O-])c1ncccc1NC(=O)NNc1ccc(Cl)c(Br)c1 ZINC001594780557 953626306 /nfs/dbraw/zinc/62/63/06/953626306.db2.gz XBILVOULXGYEFX-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC001594780948 953627842 /nfs/dbraw/zinc/62/78/42/953627842.db2.gz AWUYFTOEXSPYOT-UHFFFAOYSA-N -1 0 387.396 3.115 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccccc1COCc1ccccc1 ZINC001594781750 953635566 /nfs/dbraw/zinc/63/55/66/953635566.db2.gz UZLMDTSQBHYUNB-UHFFFAOYSA-N -1 0 377.400 3.254 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc2ccc(Br)cc2c1 ZINC001594781654 953635572 /nfs/dbraw/zinc/63/55/72/953635572.db2.gz RQZKNVDJEQLZBF-UHFFFAOYSA-N -1 0 386.205 3.452 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001594781806 953636974 /nfs/dbraw/zinc/63/69/74/953636974.db2.gz IIDKIXDYISXFMX-UHFFFAOYSA-N -1 0 381.270 3.088 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)C(F)=Cc1ccc(F)c(C(F)(F)F)c1 ZINC001594782318 953644581 /nfs/dbraw/zinc/64/45/81/953644581.db2.gz XZMVHYDCQHGVPW-GHXNOFRVSA-N -1 0 387.264 3.391 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC001594811317 953826386 /nfs/dbraw/zinc/82/63/86/953826386.db2.gz NXZSVYGPNPBDDX-UHFFFAOYSA-N -1 0 397.416 3.242 20 50 GGGDRM CN(C)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1C(F)(F)F ZINC001593711357 954190773 /nfs/dbraw/zinc/19/07/73/954190773.db2.gz WRMQUKDRVAOUHM-UHFFFAOYSA-N -1 0 383.330 3.013 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2cc(Cl)ccc2Br)CCSCC1 ZINC001594864601 954311489 /nfs/dbraw/zinc/31/14/89/954311489.db2.gz ICKMRYZRGVGHKQ-UHFFFAOYSA-N -1 0 393.690 3.144 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2cc(C(F)(F)F)ccc2Br)CCC1 ZINC001594864706 954312892 /nfs/dbraw/zinc/31/28/92/954312892.db2.gz LJYJWZIYSBCNHU-UHFFFAOYSA-N -1 0 381.148 3.166 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC001594902816 954648776 /nfs/dbraw/zinc/64/87/76/954648776.db2.gz OVUJUDDZIRKPCO-IAGOWNOFSA-N -1 0 379.865 3.059 20 50 GGGDRM CCC(CC)(CNC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)C(=O)[O-] ZINC001589481490 954979748 /nfs/dbraw/zinc/97/97/48/954979748.db2.gz DFCQXXFYYGGJJI-BFERYNQYSA-N -1 0 389.496 3.227 20 50 GGGDRM CC[C@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC001589539686 955191461 /nfs/dbraw/zinc/19/14/61/955191461.db2.gz WUBJKCMHLTUCQR-ZCFIWIBFSA-N -1 0 399.072 3.493 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000737051451 955218547 /nfs/dbraw/zinc/21/85/47/955218547.db2.gz TYKAWOALJMBGPP-ACSPXDACSA-N -1 0 379.460 3.234 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000737825592 955227795 /nfs/dbraw/zinc/22/77/95/955227795.db2.gz AKSBIUWNTOCMEM-CXUHLZMHSA-N -1 0 385.395 3.134 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000738060102 955231406 /nfs/dbraw/zinc/23/14/06/955231406.db2.gz NYNRNAXKYPTIMH-HNIBHBHRSA-N -1 0 395.459 3.485 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)Nc2cnn(CC(=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000738378403 955239088 /nfs/dbraw/zinc/23/90/88/955239088.db2.gz FYSLIXDLNZAECM-RQZCQDPDSA-N -1 0 395.463 3.437 20 50 GGGDRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCO1 ZINC000738547934 955249107 /nfs/dbraw/zinc/24/91/07/955249107.db2.gz JGDIVZVZVOBHJG-JOYOIKCWSA-N -1 0 398.790 3.223 20 50 GGGDRM N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000774119354 955325724 /nfs/dbraw/zinc/32/57/24/955325724.db2.gz NAGDTDMMNQYAJA-DHDCSXOGSA-N -1 0 376.397 3.449 20 50 GGGDRM Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)c1Cl ZINC000814735861 955358142 /nfs/dbraw/zinc/35/81/42/955358142.db2.gz GKCDHNNTKDZLQD-UHFFFAOYSA-N -1 0 387.610 3.086 20 50 GGGDRM CC(C)C[C@@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000818626927 955416296 /nfs/dbraw/zinc/41/62/96/955416296.db2.gz BWQIEESSECZLKZ-KRWDZBQOSA-N -1 0 398.463 3.436 20 50 GGGDRM CC(C)C[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br)CC(=O)[O-] ZINC001603042025 972103699 /nfs/dbraw/zinc/10/36/99/972103699.db2.gz CRFVSTYCECDNKD-JCKWVBRZSA-N -1 0 382.298 3.345 20 50 GGGDRM O=C([O-])[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C[C@H]1c1ccccc1 ZINC000843334617 955639196 /nfs/dbraw/zinc/63/91/96/955639196.db2.gz CNRKPPOEWNWCQZ-XMFUBXPQSA-N -1 0 392.293 3.267 20 50 GGGDRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC000849312195 955783736 /nfs/dbraw/zinc/78/37/36/955783736.db2.gz WZABTMVCOPQACC-INIZCTEOSA-N -1 0 379.865 3.235 20 50 GGGDRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589079336 955841140 /nfs/dbraw/zinc/84/11/40/955841140.db2.gz OAUPFDPCLJOEKT-SECBINFHSA-N -1 0 396.216 3.003 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000852946731 955864289 /nfs/dbraw/zinc/86/42/89/955864289.db2.gz BIEVFNSAAMJPIY-SECBINFHSA-N -1 0 382.041 3.310 20 50 GGGDRM C[C@](NC(=O)NNc1ncccc1C(=O)[O-])(c1ccc(F)cc1)C(F)(F)F ZINC001589108914 956053130 /nfs/dbraw/zinc/05/31/30/956053130.db2.gz SXKKLKQBPLTDFC-HNNXBMFYSA-N -1 0 386.305 3.023 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001593956358 956430615 /nfs/dbraw/zinc/43/06/15/956430615.db2.gz TWZZZUPQWFWEEF-ZMRLWYNFSA-N -1 0 395.459 3.161 20 50 GGGDRM CC(C)c1nccn1Cc1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001603110231 972188898 /nfs/dbraw/zinc/18/88/98/972188898.db2.gz YQHBYMCUJOGGCN-UHFFFAOYSA-N -1 0 394.435 3.297 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CC=Cc1ccc(Br)cc1 ZINC001594678911 956685263 /nfs/dbraw/zinc/68/52/63/956685263.db2.gz NUCSDWHTGMFVBH-HNQUOIGGSA-N -1 0 376.210 3.089 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC001594689892 956739469 /nfs/dbraw/zinc/73/94/69/956739469.db2.gz BCLBJADDUOPFME-UHFFFAOYSA-N -1 0 386.795 3.164 20 50 GGGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC001589219864 956762079 /nfs/dbraw/zinc/76/20/79/956762079.db2.gz SFZGSTSSFMBVSX-CYBMUJFWSA-N -1 0 395.175 3.412 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC001594702444 956813973 /nfs/dbraw/zinc/81/39/73/956813973.db2.gz DPPNFCSUSKIEPT-UHFFFAOYSA-N -1 0 390.610 3.262 20 50 GGGDRM C[C@]1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@@H]1Br ZINC001589246305 956924377 /nfs/dbraw/zinc/92/43/77/956924377.db2.gz CXRHXNRULHPEGB-ISVAXAHUSA-N -1 0 379.613 3.472 20 50 GGGDRM Cc1cc(Br)cc(Cl)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594272057 957684547 /nfs/dbraw/zinc/68/45/47/957684547.db2.gz OTBNWZCIOVUMSS-UHFFFAOYSA-N -1 0 384.617 3.261 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C(=O)[O-])c1C ZINC001594024261 957693320 /nfs/dbraw/zinc/69/33/20/957693320.db2.gz NFQSCNKJRNAANW-BOPFTXTBSA-N -1 0 381.432 3.304 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C)n1CC(C)C ZINC001594300543 957900868 /nfs/dbraw/zinc/90/08/68/957900868.db2.gz MRIKVGBBDTTWJS-FVIRYLMMSA-N -1 0 393.487 3.480 20 50 GGGDRM COc1cc(C)c(Br)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594054036 958008467 /nfs/dbraw/zinc/00/84/67/958008467.db2.gz ASDYNMAYPRDBPN-UHFFFAOYSA-N -1 0 395.213 3.008 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC001594337327 958276546 /nfs/dbraw/zinc/27/65/46/958276546.db2.gz RUAPAAQYADZALD-FRTKNVGNSA-N -1 0 377.444 3.289 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC001594337328 958276564 /nfs/dbraw/zinc/27/65/64/958276564.db2.gz RUAPAAQYADZALD-GNTJEMSZSA-N -1 0 377.444 3.289 20 50 GGGDRM COc1ccc(NNC(=O)Nc2cccc(CC(=O)[O-])c2)c(Br)c1 ZINC001594105443 958462311 /nfs/dbraw/zinc/46/23/11/958462311.db2.gz MDCKJTDCJUELSL-UHFFFAOYSA-N -1 0 394.225 3.233 20 50 GGGDRM Cc1ccc(Oc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cn2)cc1 ZINC001594377033 958599090 /nfs/dbraw/zinc/59/90/90/958599090.db2.gz WCVYUXPIPPRVJP-UHFFFAOYSA-N -1 0 379.376 3.424 20 50 GGGDRM Cc1cccc(Br)c1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594386706 958682502 /nfs/dbraw/zinc/68/25/02/958682502.db2.gz WRYPRBFNYORTFK-UHFFFAOYSA-N -1 0 378.226 3.282 20 50 GGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC001573390356 958692459 /nfs/dbraw/zinc/69/24/59/958692459.db2.gz JRKXVDKYFIZUSQ-KRWDZBQOSA-N -1 0 395.415 3.003 20 50 GGGDRM Cc1cccc(COc2cccc(CC(=O)NNc3ncccc3C(=O)[O-])c2)c1 ZINC001594403516 958870095 /nfs/dbraw/zinc/87/00/95/958870095.db2.gz OVTSDZUTDUPSFO-UHFFFAOYSA-N -1 0 391.427 3.353 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001573454707 958886578 /nfs/dbraw/zinc/88/65/78/958886578.db2.gz HVYTYZGXIZVJET-UHFFFAOYSA-N -1 0 387.396 3.275 20 50 GGGDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C3(C(=O)[O-])CC=CC3)cc2C1 ZINC001588643054 959712266 /nfs/dbraw/zinc/71/22/66/959712266.db2.gz KPOMTIVAVPEEBG-CYBMUJFWSA-N -1 0 390.505 3.081 20 50 GGGDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C3(CC(=O)[O-])CCC3)cc2C1 ZINC001588644075 959722425 /nfs/dbraw/zinc/72/24/25/959722425.db2.gz ZVRLWYJQYOTBLG-CYBMUJFWSA-N -1 0 392.521 3.305 20 50 GGGDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC001588653201 960401937 /nfs/dbraw/zinc/40/19/37/960401937.db2.gz SHUDSHGGYKFWKH-HNNXBMFYSA-N -1 0 375.918 3.416 20 50 GGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccccc1C(=O)[O-] ZINC001603280485 972508458 /nfs/dbraw/zinc/50/84/58/972508458.db2.gz ZVGVHMTUGCQKIY-CYBMUJFWSA-N -1 0 393.399 3.158 20 50 GGGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C ZINC001573757462 960567834 /nfs/dbraw/zinc/56/78/34/960567834.db2.gz CSCYZKSOYHNCRS-FYXHJSOBSA-N -1 0 383.423 3.462 20 50 GGGDRM O=C([O-])c1ccc(CNC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC001605800488 972514106 /nfs/dbraw/zinc/51/41/06/972514106.db2.gz WHKCNETVLLSYRD-UHFFFAOYSA-N -1 0 397.218 3.228 20 50 GGGDRM Cc1cc2cc(C(=O)NNc3ncccc3C(=O)[O-])oc2c(Br)c1 ZINC001574307987 960753239 /nfs/dbraw/zinc/75/32/39/960753239.db2.gz PLZQZNLLCLUZLF-UHFFFAOYSA-N -1 0 390.193 3.354 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)n1-c1ccccc1F ZINC001574325720 960845909 /nfs/dbraw/zinc/84/59/09/960845909.db2.gz AHZAOQCIKLFUMK-ZSOIEALJSA-N -1 0 393.378 3.200 20 50 GGGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C1 ZINC001573819191 960936063 /nfs/dbraw/zinc/93/60/63/960936063.db2.gz LMJRYHYAMGOVST-JCGIZDLHSA-N -1 0 380.282 3.195 20 50 GGGDRM Cc1cc2c(o1)c(C(=O)NNc1ncccc1C(=O)[O-])ccc2Br ZINC001574344701 960962338 /nfs/dbraw/zinc/96/23/38/960962338.db2.gz UPAJSDWORCBLCG-UHFFFAOYSA-N -1 0 390.193 3.354 20 50 GGGDRM Cc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])c(-c2nc(C3CC3)no2)c1 ZINC001574375483 961094522 /nfs/dbraw/zinc/09/45/22/961094522.db2.gz WSKVNOAMDPQSNX-UHFFFAOYSA-N -1 0 394.391 3.164 20 50 GGGDRM CC(C)(CCNC(=O)NNc1ccc(Cl)cc1Br)C(=O)[O-] ZINC001588773567 961262743 /nfs/dbraw/zinc/26/27/43/961262743.db2.gz YDQXEAUHSADMNQ-UHFFFAOYSA-N -1 0 378.654 3.230 20 50 GGGDRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001574411284 961291682 /nfs/dbraw/zinc/29/16/82/961291682.db2.gz PUDLMQXUYOZDBO-UHFFFAOYSA-N -1 0 386.799 3.076 20 50 GGGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3ccc4c(c3)OCO4)o2)cc1 ZINC000254313438 961320301 /nfs/dbraw/zinc/32/03/01/961320301.db2.gz SLJILAGNJSINLG-UHFFFAOYSA-N -1 0 378.340 3.137 20 50 GGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001588808625 961503021 /nfs/dbraw/zinc/50/30/21/961503021.db2.gz VMYAVPBFICCZEJ-DOMZBBRYSA-N -1 0 380.510 3.017 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573920440 961532618 /nfs/dbraw/zinc/53/26/18/961532618.db2.gz ZJEAOJKSSFJDSU-GBKYUFMXSA-N -1 0 378.428 3.151 20 50 GGGDRM N#Cc1ccc(NNC(=O)NCc2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001574488518 961695192 /nfs/dbraw/zinc/69/51/92/961695192.db2.gz QYANHKGSWCQDPP-UHFFFAOYSA-N -1 0 378.310 3.102 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588867730 962032120 /nfs/dbraw/zinc/03/21/20/962032120.db2.gz HFCDNMRKPODQCB-UHFFFAOYSA-N -1 0 390.480 3.298 20 50 GGGDRM O=C([O-])C1(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)CCCCCC1 ZINC001574579011 962096453 /nfs/dbraw/zinc/09/64/53/962096453.db2.gz RTCDBZRZKXTKAS-UHFFFAOYSA-N -1 0 378.494 3.203 20 50 GGGDRM CC(C)COc1ccc(C2(C(=O)NNc3ncccc3C(=O)[O-])CCC2)cc1 ZINC001588877683 962135040 /nfs/dbraw/zinc/13/50/40/962135040.db2.gz NLJFBPDZYBVZBV-UHFFFAOYSA-N -1 0 383.448 3.380 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(Br)c(F)c1)CC(=O)[O-] ZINC001588894314 962223007 /nfs/dbraw/zinc/22/30/07/962223007.db2.gz NJIHJDFQEXVLPA-JTQLQIEISA-N -1 0 390.253 3.351 20 50 GGGDRM C[C@@H](CC(=O)NNc1ncccc1C(=O)[O-])c1ccc(F)c(Br)c1 ZINC001588988742 962788368 /nfs/dbraw/zinc/78/83/68/962788368.db2.gz HASQQFPFJGALTM-VIFPVBQESA-N -1 0 396.216 3.318 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCCC(=O)[O-])c2C)cc1 ZINC001574193849 962858752 /nfs/dbraw/zinc/85/87/52/962858752.db2.gz HHOSYSFNRDFCPM-AQTBWJFISA-N -1 0 395.459 3.381 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2Br)C1 ZINC001605815555 972544958 /nfs/dbraw/zinc/54/49/58/972544958.db2.gz NYAPELHZNUHVCC-JGVFFNPUSA-N -1 0 395.175 3.412 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001605820782 972548596 /nfs/dbraw/zinc/54/85/96/972548596.db2.gz DDFAPPNQESROEE-UHFFFAOYSA-N -1 0 383.339 3.255 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001605821247 972553844 /nfs/dbraw/zinc/55/38/44/972553844.db2.gz YXFODTOOVYTGGN-UHFFFAOYSA-N -1 0 390.705 3.480 20 50 GGGDRM CSc1nc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2s1 ZINC001604971439 972561561 /nfs/dbraw/zinc/56/15/61/972561561.db2.gz YLXCYFIGOXUYIV-UHFFFAOYSA-N -1 0 375.435 3.260 20 50 GGGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001603320412 972635448 /nfs/dbraw/zinc/63/54/48/972635448.db2.gz FHUXFOQSGYFVRG-CQSZACIVSA-N -1 0 394.642 3.300 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)C2(C(=O)[O-])CCCCCC2)c(C)n1-c1ccccc1 ZINC001605120801 972781719 /nfs/dbraw/zinc/78/17/19/972781719.db2.gz RHILQSLXLRRTID-UHFFFAOYSA-N -1 0 397.475 3.280 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605163777 972855607 /nfs/dbraw/zinc/85/56/07/972855607.db2.gz FUWPNDNZPGAHEU-ZXMBATIKSA-N -1 0 381.407 3.073 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001605163786 972855882 /nfs/dbraw/zinc/85/58/82/972855882.db2.gz GDKBVZUSWBEXLC-OVCLIPMQSA-N -1 0 383.835 3.198 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1-c1ccccc1F ZINC001605164211 972857084 /nfs/dbraw/zinc/85/70/84/972857084.db2.gz OANTXEQUUOBXKK-ZDLGFXPLSA-N -1 0 395.434 3.463 20 50 GGGDRM O=C([O-])CCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001606101881 973280313 /nfs/dbraw/zinc/28/03/13/973280313.db2.gz YMSSWMGDZAOWNQ-UHFFFAOYSA-N -1 0 397.818 3.181 20 50 GGGDRM O=C([O-])CCC1CCN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)CC1 ZINC001606125995 973368425 /nfs/dbraw/zinc/36/84/25/973368425.db2.gz NIMLYRLWPRWGAC-YJBOKZPZSA-N -1 0 380.282 3.195 20 50 GGGDRM CC[C@H](C(=O)NNc1ncccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001603488390 973418420 /nfs/dbraw/zinc/41/84/20/973418420.db2.gz LSTBGLOBXURJCD-LBPRGKRZSA-N -1 0 378.226 3.179 20 50 GGGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001603489316 973424351 /nfs/dbraw/zinc/42/43/51/973424351.db2.gz YWICVBKWTVHQGP-PGNDWZGLSA-N -1 0 395.459 3.331 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC001604514747 973448945 /nfs/dbraw/zinc/44/89/45/973448945.db2.gz LRVTYUVRRIGMBK-KHAFMBKQSA-N -1 0 397.431 3.262 20 50 GGGDRM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605459824 973549000 /nfs/dbraw/zinc/54/90/00/973549000.db2.gz RSZMZWPFPSMGIE-UHFFFAOYSA-N -1 0 390.758 3.293 20 50 GGGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1cccc(OC(F)F)c1Br ZINC001603526099 973566522 /nfs/dbraw/zinc/56/65/22/973566522.db2.gz XIQYFXOATHURMM-UHFFFAOYSA-N -1 0 395.200 3.385 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1cccc(F)c1Br)C(=O)[O-] ZINC001603536891 973592269 /nfs/dbraw/zinc/59/22/69/973592269.db2.gz UIIVLUHXEXLQHW-UHFFFAOYSA-N -1 0 376.226 3.105 20 50 GGGDRM CC[C@H](CNC(=O)NNc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC001603566111 973690856 /nfs/dbraw/zinc/69/08/56/973690856.db2.gz VLTLOLTZLJEHMG-SSDOTTSWSA-N -1 0 398.179 3.205 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC001603566114 973691049 /nfs/dbraw/zinc/69/10/49/973691049.db2.gz VLTLOLTZLJEHMG-ZETCQYMHSA-N -1 0 398.179 3.205 20 50 GGGDRM O=C([O-])COc1cccc(C(=O)NNc2ccc(OCc3ccccc3)cc2)c1 ZINC001606291244 973693078 /nfs/dbraw/zinc/69/30/78/973693078.db2.gz BSROUNZETXCLLM-UHFFFAOYSA-N -1 0 392.411 3.486 20 50 GGGDRM CCCN(C(=O)c1ccccc1NC(=O)NNc1ncccc1C(=O)[O-])C(C)C ZINC001603655051 974027861 /nfs/dbraw/zinc/02/78/61/974027861.db2.gz RJJFRXUYJGNXRM-UHFFFAOYSA-N -1 0 399.451 3.189 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC001606528546 974036152 /nfs/dbraw/zinc/03/61/52/974036152.db2.gz LTAXUUVXLSOHKN-UHFFFAOYSA-N -1 0 390.237 3.107 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001606528871 974040025 /nfs/dbraw/zinc/04/00/25/974040025.db2.gz SQVLNVXUDYEIIF-UHFFFAOYSA-N -1 0 399.410 3.389 20 50 GGGDRM O=C([O-])c1c(F)ccc(NC(=O)NNC(=O)CCCc2ccccc2)c1Cl ZINC001605676448 974088205 /nfs/dbraw/zinc/08/82/05/974088205.db2.gz XIUHEPJSLHTYSP-UHFFFAOYSA-N -1 0 393.802 3.353 20 50 GGGDRM CC(C)Oc1c(NC(=O)N2C[C@@H]3[C@@H](Br)[C@@H]3C2)cccc1C(=O)[O-] ZINC001591743794 975762834 /nfs/dbraw/zinc/76/28/34/975762834.db2.gz CXTCGRQPJLQOGT-PJXYFTJBSA-N -1 0 383.242 3.029 20 50 GGGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNc1ccc2c(cc[nH]c2=O)c1 ZINC001591769733 975896731 /nfs/dbraw/zinc/89/67/31/975896731.db2.gz YDNSSGOVJUDSKZ-UHFFFAOYSA-N -1 0 396.403 3.162 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591923457 976400395 /nfs/dbraw/zinc/40/03/95/976400395.db2.gz PUPZBRQEHQDRQJ-UHFFFAOYSA-N -1 0 392.847 3.166 20 50 GGGDRM CC(C)c1ccc(N2CC[C@H](C(=O)NNc3cccc(F)c3C(=O)[O-])C2=O)cc1 ZINC001591959233 976533957 /nfs/dbraw/zinc/53/39/57/976533957.db2.gz DEXCKBRUIKPGJE-OAHLLOKOSA-N -1 0 399.422 3.144 20 50 GGGDRM CC(C)c1ccc(OCCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001591973213 976574109 /nfs/dbraw/zinc/57/41/09/976574109.db2.gz VMCOBBNYOUTWGI-UHFFFAOYSA-N -1 0 375.400 3.352 20 50 GGGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001591998053 976645382 /nfs/dbraw/zinc/64/53/82/976645382.db2.gz LYBYOYRNPDJYOJ-IIBYNOLFSA-N -1 0 397.500 3.386 20 50 GGGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001591998051 976645515 /nfs/dbraw/zinc/64/55/15/976645515.db2.gz LYBYOYRNPDJYOJ-IERDGZPVSA-N -1 0 397.500 3.386 20 50 GGGDRM CC(C)c1nccnc1NNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592040048 976765124 /nfs/dbraw/zinc/76/51/24/976765124.db2.gz XNTCLFJDOLHUNK-UHFFFAOYSA-N -1 0 384.440 3.047 20 50 GGGDRM CC(C)c1nn(C)c2sc(C(=O)NNc3ccc(C(=O)[O-])c(F)c3)cc12 ZINC001592043443 976774862 /nfs/dbraw/zinc/77/48/62/976774862.db2.gz GLNYJWHKCLBYLN-UHFFFAOYSA-N -1 0 376.413 3.352 20 50 GGGDRM CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)CCC2 ZINC001592131772 976969105 /nfs/dbraw/zinc/96/91/05/976969105.db2.gz XZMUORXGKVUWHP-OAHLLOKOSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1ncc2c1[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC001592159020 977040127 /nfs/dbraw/zinc/04/01/27/977040127.db2.gz XFYVPQWJYOVGCA-OAHLLOKOSA-N -1 0 375.404 3.005 20 50 GGGDRM C[C@@H](CC(=O)[O-])CC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001592391320 977936131 /nfs/dbraw/zinc/93/61/31/977936131.db2.gz HMVALOJVXMNVBM-YPMHNXCESA-N -1 0 380.510 3.161 20 50 GGGDRM C[C@@H](CC(=O)[O-])CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001592391823 977939645 /nfs/dbraw/zinc/93/96/45/977939645.db2.gz RWICIQNCUVCWKS-ZCFIWIBFSA-N -1 0 382.631 3.300 20 50 GGGDRM CC(CC(C)(C)CC(=O)[O-])=NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001592444836 978105861 /nfs/dbraw/zinc/10/58/61/978105861.db2.gz RFHNHJSHIMPTCN-UHFFFAOYSA-N -1 0 383.489 3.017 20 50 GGGDRM CC(=NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000736125189 978304768 /nfs/dbraw/zinc/30/47/68/978304768.db2.gz GXGWTZJMZCWGPV-UHFFFAOYSA-N -1 0 380.322 3.323 20 50 GGGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000736373461 978324006 /nfs/dbraw/zinc/32/40/06/978324006.db2.gz DEYAMFXFTOQQKZ-SECBINFHSA-N -1 0 399.072 3.491 20 50 GGGDRM 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ZINC000736845718 978360397 /nfs/dbraw/zinc/36/03/97/978360397.db2.gz CQQFYHXNRUCOPO-DZGCQCFKSA-N -1 0 386.473 3.207 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@H]2CC(=O)[O-])c1C ZINC000737002914 978371917 /nfs/dbraw/zinc/37/19/17/978371917.db2.gz CZNSZMMWINWSAT-WAFWZSCLSA-N -1 0 389.521 3.231 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1C ZINC000737051045 978376564 /nfs/dbraw/zinc/37/65/64/978376564.db2.gz PBJVYBPEZSLBBR-CPNJWEJPSA-N -1 0 395.459 3.315 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(OCC(=O)[O-])c2)c1C ZINC000737051674 978377085 /nfs/dbraw/zinc/37/70/85/978377085.db2.gz YAJSHCAUCZEZES-YBFXNURJSA-N -1 0 395.459 3.202 20 50 GGGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000737094454 978379081 /nfs/dbraw/zinc/37/90/81/978379081.db2.gz XOTYQHKJXOZVNR-ATVHPVEESA-N -1 0 383.423 3.463 20 50 GGGDRM CCOc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000737185391 978385120 /nfs/dbraw/zinc/38/51/20/978385120.db2.gz POKFHPXURHYQGV-UHFFFAOYSA-N -1 0 398.337 3.324 20 50 GGGDRM CCOc1ccc(C=C(C#N)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737194178 978386888 /nfs/dbraw/zinc/38/68/88/978386888.db2.gz AQVWYYQNXRGZOJ-GHRIWEEISA-N -1 0 379.416 3.441 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737195688 978387341 /nfs/dbraw/zinc/38/73/41/978387341.db2.gz WOOLESWYTOHPPU-JKALPCAWSA-N -1 0 378.428 3.285 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737195691 978387643 /nfs/dbraw/zinc/38/76/43/978387643.db2.gz WOOLESWYTOHPPU-YWFITGJYSA-N -1 0 378.428 3.285 20 50 GGGDRM CN(CCCC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC000737427061 978407902 /nfs/dbraw/zinc/40/79/02/978407902.db2.gz NJIBHXVDZSIUOE-ZDUSSCGKSA-N -1 0 395.525 3.050 20 50 GGGDRM CN(Cc1ccccc1NC(=O)NNC(=O)[O-])C(=O)c1cc2ccccc2o1 ZINC000737494454 978411115 /nfs/dbraw/zinc/41/11/15/978411115.db2.gz PRFHGDPZOPKRNJ-UHFFFAOYSA-N -1 0 382.376 3.009 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)c1C ZINC000737746833 978441288 /nfs/dbraw/zinc/44/12/88/978441288.db2.gz LBPNYXOZXQDVEF-UDRREKMYSA-N -1 0 386.404 3.254 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(CC(=O)[O-])c2)c1C ZINC000737747371 978441338 /nfs/dbraw/zinc/44/13/38/978441338.db2.gz LXZUEKZZHRBYRZ-BKQORJHRSA-N -1 0 396.443 3.452 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(F)c2C(=O)[O-])c1C ZINC000737827309 978448019 /nfs/dbraw/zinc/44/80/19/978448019.db2.gz USRPKYKWZGEYNM-GDNBJRDFSA-N -1 0 385.395 3.134 20 50 GGGDRM COc1cc(C=NNC(=O)C2CCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737880139 978453007 /nfs/dbraw/zinc/45/30/07/978453007.db2.gz XCISPSSZGUCEEZ-UHFFFAOYSA-N -1 0 382.416 3.223 20 50 GGGDRM COc1cc(C=NNC(=O)c2ccc[nH]2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737880237 978453179 /nfs/dbraw/zinc/45/31/79/978453179.db2.gz XZQQUBYHLAOXSD-UHFFFAOYSA-N -1 0 393.399 3.064 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c2C)cc1 ZINC000737918143 978458531 /nfs/dbraw/zinc/45/85/31/978458531.db2.gz UJQUBPXIKYAXAX-BOPFTXTBSA-N -1 0 395.459 3.379 20 50 GGGDRM CSc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738200615 978498273 /nfs/dbraw/zinc/49/82/73/978498273.db2.gz YQXUXAORADCAJD-UHFFFAOYSA-N -1 0 378.318 3.142 20 50 GGGDRM CSc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1-c1ccccc1 ZINC000738214949 978500471 /nfs/dbraw/zinc/50/04/71/978500471.db2.gz FJVJOEKLRWBXOY-UHFFFAOYSA-N -1 0 399.384 3.420 20 50 GGGDRM Cc1nc(-c2cccnc2)nc(NNC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738228823 978503895 /nfs/dbraw/zinc/50/38/95/978503895.db2.gz BUYDPZITKSZHQW-UHFFFAOYSA-N -1 0 378.392 3.002 20 50 GGGDRM Cc1cc(C)n(Cc2ccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)n1 ZINC000738376867 978527491 /nfs/dbraw/zinc/52/74/91/978527491.db2.gz ISOSQCRZRUTBEB-UHFFFAOYSA-N -1 0 395.371 3.374 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC000738378270 978528106 /nfs/dbraw/zinc/52/81/06/978528106.db2.gz CSKPFRCULWZUQE-WAGPWIPHSA-N -1 0 386.496 3.317 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC000738378266 978528392 /nfs/dbraw/zinc/52/83/92/978528392.db2.gz CSKPFRCULWZUQE-LOHYDARVSA-N -1 0 386.496 3.317 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC000738378272 978528412 /nfs/dbraw/zinc/52/84/12/978528412.db2.gz CSKPFRCULWZUQE-ZYNFKGNASA-N -1 0 386.496 3.317 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000738378421 978528439 /nfs/dbraw/zinc/52/84/39/978528439.db2.gz FRAMQKAWMQHICP-SXGWCWSVSA-N -1 0 396.834 3.091 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCSCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000738378784 978529809 /nfs/dbraw/zinc/52/98/09/978529809.db2.gz JGZLNVCPSJRTKC-BOPFTXTBSA-N -1 0 389.521 3.451 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379797 978531167 /nfs/dbraw/zinc/53/11/67/978531167.db2.gz RDHZMYJYSZNDJL-VZWMTCDZSA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c(C(=O)[O-])[nH]1 ZINC000738417120 978535658 /nfs/dbraw/zinc/53/56/58/978535658.db2.gz HDJRHYJSXPKZNN-JDZKTDJGSA-N -1 0 396.447 3.164 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738497949 978547434 /nfs/dbraw/zinc/54/74/34/978547434.db2.gz IEOGEWCMHFBOLB-BKQORJHRSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000738535976 978553197 /nfs/dbraw/zinc/55/31/97/978553197.db2.gz VKKQASHHCIVTLD-UHFFFAOYSA-N -1 0 381.310 3.179 20 50 GGGDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000738561693 978560161 /nfs/dbraw/zinc/56/01/61/978560161.db2.gz NJSSEQUDZVQXPM-KRWDZBQOSA-N -1 0 381.881 3.352 20 50 GGGDRM Cc1ccc(C2(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CCOCC2)cc1 ZINC000738578226 978565880 /nfs/dbraw/zinc/56/58/80/978565880.db2.gz BDXUSVOYVCRUBC-UHFFFAOYSA-N -1 0 385.372 3.255 20 50 GGGDRM Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000738598098 978570365 /nfs/dbraw/zinc/57/03/65/978570365.db2.gz QGXKQVYFULXVSB-VXLYETTFSA-N -1 0 378.428 3.299 20 50 GGGDRM Cc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000738681961 978587926 /nfs/dbraw/zinc/58/79/26/978587926.db2.gz KRSAOUGUPHTOHZ-UHFFFAOYSA-N -1 0 381.344 3.315 20 50 GGGDRM Cc1cccc(O[C@@H](C)C(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000738734162 978598278 /nfs/dbraw/zinc/59/82/78/978598278.db2.gz JKUYQQWHMWVQMD-SUMWQHHRSA-N -1 0 376.840 3.171 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756418 978600479 /nfs/dbraw/zinc/60/04/79/978600479.db2.gz MNDNJSFGBMZYGG-SKCQWOFPSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)c1c(Cl)cccc1Cl ZINC000738922530 978609253 /nfs/dbraw/zinc/60/92/53/978609253.db2.gz KFNFJWVNRWVYCM-UHFFFAOYSA-N -1 0 383.235 3.045 20 50 GGGDRM Cc1noc2nc(C3CC3)cc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c12 ZINC000738956022 978610601 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3.235 20 50 GGGDRM O=C([O-])N1CCC[C@H](NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000739455311 978641214 /nfs/dbraw/zinc/64/12/14/978641214.db2.gz YRMSUUMDMUXWTM-QMMMGPOBSA-N -1 0 381.647 3.415 20 50 GGGDRM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739626000 978646880 /nfs/dbraw/zinc/64/68/80/978646880.db2.gz RANGJVFAIJXNBL-SFHVURJKSA-N -1 0 393.892 3.058 20 50 GGGDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1cccs1 ZINC000739634288 978647160 /nfs/dbraw/zinc/64/71/60/978647160.db2.gz LGSKMSHUKCFMQW-AWEZNQCLSA-N -1 0 387.910 3.414 20 50 GGGDRM O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1 ZINC000739666184 978647540 /nfs/dbraw/zinc/64/75/40/978647540.db2.gz FPXGGFIMSIHGRT-QGZVFWFLSA-N -1 0 381.881 3.352 20 50 GGGDRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC000739652615 978647552 /nfs/dbraw/zinc/64/75/52/978647552.db2.gz CVABSMOINHDFPQ-AWEZNQCLSA-N -1 0 379.865 3.235 20 50 GGGDRM O=C([O-])CCCCNC(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000739670701 978647713 /nfs/dbraw/zinc/64/77/13/978647713.db2.gz CTZRBYQNXDVUAC-UHFFFAOYSA-N -1 0 398.179 3.349 20 50 GGGDRM O=C([O-])CCCOc1ccc(CNC(=O)NNc2cc(F)c(F)cc2F)cc1 ZINC000739685914 978649300 /nfs/dbraw/zinc/64/93/00/978649300.db2.gz FYOZYHWSHACLDQ-UHFFFAOYSA-N -1 0 397.353 3.174 20 50 GGGDRM O=C([O-])Nc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000740034581 978664530 /nfs/dbraw/zinc/66/45/30/978664530.db2.gz XHUWLPLQDMHWJW-UHFFFAOYSA-N -1 0 384.270 3.460 20 50 GGGDRM O=C([O-])c1cc(OC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000740088869 978668234 /nfs/dbraw/zinc/66/82/34/978668234.db2.gz ZIXCXXWCBTWYEX-UHFFFAOYSA-N -1 0 389.335 3.086 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cc(F)cc(Br)c2)ccc1[N+](=O)[O-] ZINC000740307002 978674506 /nfs/dbraw/zinc/67/45/06/978674506.db2.gz GTZWROLQRKLMOX-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1[N+](=O)[O-] ZINC000740307993 978675301 /nfs/dbraw/zinc/67/53/01/978675301.db2.gz QWCNWYMNRQPVQB-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000740308474 978675335 /nfs/dbraw/zinc/67/53/35/978675335.db2.gz UESCSTNRGAWHBO-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccc1[N+](=O)[O-] ZINC000740308564 978675390 /nfs/dbraw/zinc/67/53/90/978675390.db2.gz WPPRUTIRQMMMJS-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM CC(=NNC(=O)c1cc(Br)ccc1O)c1ccc(C(=O)[O-])cc1 ZINC000741768739 978676171 /nfs/dbraw/zinc/67/61/71/978676171.db2.gz MGRFXVLZEWJWAL-UHFFFAOYSA-N -1 0 377.194 3.007 20 50 GGGDRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)CC1CCCC1 ZINC000776554188 978752877 /nfs/dbraw/zinc/75/28/77/978752877.db2.gz BCXZJANMGSJQNL-MRXNPFEDSA-N -1 0 387.929 3.417 20 50 GGGDRM O=C([O-])c1cccc2c1CCN(S(=O)(=O)c1ccc(CCCCl)cc1)C2 ZINC000776703920 978772143 /nfs/dbraw/zinc/77/21/43/978772143.db2.gz AMLAZWDKMDGIGL-UHFFFAOYSA-N -1 0 393.892 3.303 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000794692967 978816942 /nfs/dbraw/zinc/81/69/42/978816942.db2.gz YPEMXESLAOSYJC-LKKYZFDUSA-N -1 0 379.368 3.100 20 50 GGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794691091 978816959 /nfs/dbraw/zinc/81/69/59/978816959.db2.gz YWRJJNXQMCFMAS-AOHITCTBSA-N -1 0 380.400 3.483 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794692208 978817079 /nfs/dbraw/zinc/81/70/79/978817079.db2.gz ULJPBVMKSXQHRE-AAWHYMEISA-N -1 0 386.354 3.040 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794870187 978824652 /nfs/dbraw/zinc/82/46/52/978824652.db2.gz HWRUEMLHVFCGRQ-GFCCVEGCSA-N -1 0 392.864 3.434 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000794911968 978828136 /nfs/dbraw/zinc/82/81/36/978828136.db2.gz UTDSOZYLXGSPAN-NSHDSACASA-N -1 0 391.221 3.065 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794913345 978828180 /nfs/dbraw/zinc/82/81/80/978828180.db2.gz TWJNQCGQHKQBMB-GFCCVEGCSA-N -1 0 375.812 3.025 20 50 GGGDRM C[C@@H]1C(=NNC(=O)CSc2nc3ccccc3s2)CC[C@H]1CC(=O)[O-] ZINC000814723398 978876656 /nfs/dbraw/zinc/87/66/56/978876656.db2.gz DEGNZDBWAHNWJK-QWRGUYRKSA-N -1 0 377.491 3.381 20 50 GGGDRM C[C@H]1C(=NNC(=O)CSc2nc3ccccc3s2)CC[C@H]1CC(=O)[O-] ZINC000814723397 978877044 /nfs/dbraw/zinc/87/70/44/978877044.db2.gz DEGNZDBWAHNWJK-MNOVXSKESA-N -1 0 377.491 3.381 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814751589 978880464 /nfs/dbraw/zinc/88/04/64/978880464.db2.gz ODMDVRMOKHTQGL-NSHDSACASA-N -1 0 391.221 3.065 20 50 GGGDRM CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1cc(C(=O)[O-])cs1 ZINC000814783240 978884819 /nfs/dbraw/zinc/88/48/19/978884819.db2.gz YTYDPQZUBQBLFB-JTQLQIEISA-N -1 0 388.474 3.397 20 50 GGGDRM COc1ccc(-c2cc(N)c(C(=O)NN=Cc3cccc(C(=O)[O-])c3)s2)cc1 ZINC000814784555 978885163 /nfs/dbraw/zinc/88/51/63/978885163.db2.gz FXRRXEFFGUDHBJ-UHFFFAOYSA-N -1 0 395.440 3.468 20 50 GGGDRM O=C([O-])[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccc(F)cc1 ZINC000823357959 978938146 /nfs/dbraw/zinc/93/81/46/978938146.db2.gz HXEZDVUTSLBPER-NBCLGQJJSA-N -1 0 384.245 3.064 20 50 GGGDRM C[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC001592675261 979087851 /nfs/dbraw/zinc/08/78/51/979087851.db2.gz CKKXHEHLNOYVKH-JTQLQIEISA-N -1 0 381.791 3.271 20 50 GGGDRM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)COCc1ccccc1 ZINC001592676653 979096734 /nfs/dbraw/zinc/09/67/34/979096734.db2.gz TZRFJMSVNCNTSN-CYBMUJFWSA-N -1 0 375.400 3.003 20 50 GGGDRM CC[C@@H](CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccc(OC)cc1 ZINC001595029423 979157554 /nfs/dbraw/zinc/15/75/54/979157554.db2.gz AXBROOLZJAYFLV-ZDUSSCGKSA-N -1 0 391.493 3.172 20 50 GGGDRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C ZINC001595048635 979266928 /nfs/dbraw/zinc/26/69/28/979266928.db2.gz DISZFAYCUZYLCD-BFERYNQYSA-N -1 0 389.496 3.369 20 50 GGGDRM CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595134729 979569256 /nfs/dbraw/zinc/56/92/56/979569256.db2.gz BVBZOZITBWNMEC-GYXHFJGISA-N -1 0 395.459 3.237 20 50 GGGDRM CC[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1ccccc1C ZINC001595150584 979642402 /nfs/dbraw/zinc/64/24/02/979642402.db2.gz WFLXPOQCWCDDGG-CQSZACIVSA-N -1 0 375.400 3.316 20 50 GGGDRM O=C([O-])c1ccc(COc2ccccc2C=NNC(=O)c2ccncc2)cc1 ZINC000888087708 980222596 /nfs/dbraw/zinc/22/25/96/980222596.db2.gz IDNLLMLUHJTAFR-UHFFFAOYSA-N -1 0 375.384 3.123 20 50 GGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1cccc(OC)c1OC ZINC001595253502 980231561 /nfs/dbraw/zinc/23/15/61/980231561.db2.gz ZQXHDDGYUOJGBL-HNNXBMFYSA-N -1 0 387.436 3.488 20 50 GGGDRM CC[C@@](O)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC001595323149 980520290 /nfs/dbraw/zinc/52/02/90/980520290.db2.gz RHAPLNUUGZQOOS-KRWDZBQOSA-N -1 0 383.231 3.433 20 50 GGGDRM CC[C@](O)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC001595323150 980520514 /nfs/dbraw/zinc/52/05/14/980520514.db2.gz RHAPLNUUGZQOOS-QGZVFWFLSA-N -1 0 383.231 3.433 20 50 GGGDRM CC[C@]1(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)OCCc2ccccc21 ZINC001595378552 980914417 /nfs/dbraw/zinc/91/44/17/980914417.db2.gz FRDRHHDUVSEAHW-HXUWFJFHSA-N -1 0 387.411 3.028 20 50 GGGDRM CC[C@@H]1[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC001595405217 980985227 /nfs/dbraw/zinc/98/52/27/980985227.db2.gz PYROYDOYVBSLQW-GOEBONIOSA-N -1 0 391.468 3.172 20 50 GGGDRM CC[C@@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC001595405216 980985528 /nfs/dbraw/zinc/98/55/28/980985528.db2.gz PYROYDOYVBSLQW-GDBMZVCRSA-N -1 0 391.468 3.172 20 50 GGGDRM CC[C@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CCN1C(=O)OC(C)(C)C ZINC001595406007 980988994 /nfs/dbraw/zinc/98/89/94/980988994.db2.gz WJPRRQUFSQPKAI-RISCZKNCSA-N -1 0 395.431 3.003 20 50 GGGDRM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595546929 981415484 /nfs/dbraw/zinc/41/54/84/981415484.db2.gz MLBZPIXKWMPNTB-GOSISDBHSA-N -1 0 383.420 3.051 20 50 GGGDRM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595546932 981415535 /nfs/dbraw/zinc/41/55/35/981415535.db2.gz MLBZPIXKWMPNTB-SFHVURJKSA-N -1 0 383.420 3.051 20 50 GGGDRM CC[C@@](C)(NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001594836540 982039358 /nfs/dbraw/zinc/03/93/58/982039358.db2.gz ZEHIIYWZEAKHNT-YAECTWJJSA-N -1 0 395.459 3.379 20 50 GGGDRM O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)nc2C1 ZINC000910677385 982051187 /nfs/dbraw/zinc/05/11/87/982051187.db2.gz NVTUEIYVMJBSHW-HEEFWULXSA-N -1 0 399.310 3.225 20 50 GGGDRM CCCCOc1ccc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001595773962 982526981 /nfs/dbraw/zinc/52/69/81/982526981.db2.gz BZDRCOLQSRKFFC-UHFFFAOYSA-N -1 0 377.466 3.073 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001595795851 982598710 /nfs/dbraw/zinc/59/87/10/982598710.db2.gz BROMVEQRQWPUKV-UHFFFAOYSA-N -1 0 385.489 3.288 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cnc(C(=O)[O-])cn2)c1C ZINC001595801749 982615500 /nfs/dbraw/zinc/61/55/00/982615500.db2.gz AUNFXGULDWYFDU-LZYBPNLTSA-N -1 0 382.420 3.044 20 50 GGGDRM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594941858 982615501 /nfs/dbraw/zinc/61/55/01/982615501.db2.gz DZCDIMRMFCQGRP-IAQYHMDHSA-N -1 0 397.447 3.297 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cnc(C(=O)[O-])cn2)c1C ZINC001595801752 982615610 /nfs/dbraw/zinc/61/56/10/982615610.db2.gz AUNFXGULDWYFDU-PXNMLYILSA-N -1 0 382.420 3.044 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1C ZINC001595802920 982622481 /nfs/dbraw/zinc/62/24/81/982622481.db2.gz MVRHEVUEFRCWBQ-CKNOQMABSA-N -1 0 385.386 3.334 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1C ZINC001595802924 982622570 /nfs/dbraw/zinc/62/25/70/982622570.db2.gz MVRHEVUEFRCWBQ-OWTLUSIOSA-N -1 0 385.386 3.334 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CC(=O)[O-])n2)c1C ZINC001595803524 982625402 /nfs/dbraw/zinc/62/54/02/982625402.db2.gz UFCWOOLDESTRNX-GZTJUZNOSA-N -1 0 380.448 3.473 20 50 GGGDRM CCCCn1nc(C)c(-c2cc(C(=O)NNc3cccc(C(=O)[O-])c3)[nH]n2)c1C ZINC001595810082 982642667 /nfs/dbraw/zinc/64/26/67/982642667.db2.gz RNEBXHDPPNRXKL-UHFFFAOYSA-N -1 0 396.451 3.145 20 50 GGGDRM O=C([O-])COc1ccc(C=NNC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000921261741 982696489 /nfs/dbraw/zinc/69/64/89/982696489.db2.gz UPEPSJHIDQCCGS-UHFFFAOYSA-N -1 0 395.337 3.002 20 50 GGGDRM CC[C@@H](C)NC(=O)c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001594991142 982852073 /nfs/dbraw/zinc/85/20/73/982852073.db2.gz BEWZHZVCTBYGSC-CYBMUJFWSA-N -1 0 398.463 3.048 20 50 GGGDRM CCCN(NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(=O)OC(C)(C)C ZINC001595894775 982933214 /nfs/dbraw/zinc/93/32/14/982933214.db2.gz WAWJSEPAZBZZDR-UHFFFAOYSA-N -1 0 380.441 3.059 20 50 GGGDRM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC001595014525 982952805 /nfs/dbraw/zinc/95/28/05/982952805.db2.gz VCOVYAPITKMRNS-ZBFHGGJFSA-N -1 0 395.459 3.395 20 50 GGGDRM CCCOc1ccc(CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC001595956080 983144706 /nfs/dbraw/zinc/14/47/06/983144706.db2.gz FZSFTWAPFRRXDO-UHFFFAOYSA-N -1 0 375.400 3.447 20 50 GGGDRM CCCOc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c(C)c1 ZINC001595956748 983146342 /nfs/dbraw/zinc/14/63/42/983146342.db2.gz MZMWJBYKNKOXCV-UHFFFAOYSA-N -1 0 375.400 3.447 20 50 GGGDRM CCCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1OC ZINC001595960561 983153061 /nfs/dbraw/zinc/15/30/61/983153061.db2.gz MALRLCPCCFSJKD-UHFFFAOYSA-N -1 0 377.372 3.470 20 50 GGGDRM CCCOc1cccc(CCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001595969231 983189362 /nfs/dbraw/zinc/18/93/62/983189362.db2.gz MSKSKFXVUHQEQB-UHFFFAOYSA-N -1 0 375.400 3.182 20 50 GGGDRM CCCc1c(C(=O)NNc2nc3ccccc3[nH]c2=S)[nH]c(C)c1C(=O)[O-] ZINC001596045712 983335944 /nfs/dbraw/zinc/33/59/44/983335944.db2.gz LVHJHJFIZKNDAN-UHFFFAOYSA-N -1 0 385.449 3.337 20 50 GGGDRM CCCc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(F)c1 ZINC001596045984 983337978 /nfs/dbraw/zinc/33/79/78/983337978.db2.gz ZGPAXQNMDNMYNL-UHFFFAOYSA-N -1 0 396.422 3.348 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1C ZINC001596108086 983432825 /nfs/dbraw/zinc/43/28/25/983432825.db2.gz PAHMRGOUSVPIPL-IKFRKZOMSA-N -1 0 397.397 3.288 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1C ZINC001596108354 983434173 /nfs/dbraw/zinc/43/41/73/983434173.db2.gz YBIQPIQAFWQGQT-FVECTHPASA-N -1 0 393.443 3.301 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001596108942 983436981 /nfs/dbraw/zinc/43/69/81/983436981.db2.gz XSJRCSUADLLSNC-DHDCSXOGSA-N -1 0 384.411 3.403 20 50 GGGDRM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596157439 983518341 /nfs/dbraw/zinc/51/83/41/983518341.db2.gz BDGJEFMTQLCCCB-SNVBAGLBSA-N -1 0 385.848 3.127 20 50 GGGDRM CCN(CC(=O)NNc1cccc(F)c1C(=O)[O-])Cc1ccccc1Cl ZINC001596207201 983594642 /nfs/dbraw/zinc/59/46/42/983594642.db2.gz QWMWBPBAEUNARX-UHFFFAOYSA-N 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GGGDRM CC(=NNC(=O)c1ccc(C#N)cc1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589012476 984992740 /nfs/dbraw/zinc/99/27/40/984992740.db2.gz MJVMBXTXLOSZGM-UHFFFAOYSA-N -1 0 378.413 3.329 20 50 GGGDRM CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C12CCCCC2 ZINC001596820882 985414605 /nfs/dbraw/zinc/41/46/05/985414605.db2.gz BXKUNPGGMJYKAJ-HUUCEWRRSA-N -1 0 379.432 3.278 20 50 GGGDRM CCO[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C12CCCCC2 ZINC001596820875 985414742 /nfs/dbraw/zinc/41/47/42/985414742.db2.gz BXKUNPGGMJYKAJ-CABCVRRESA-N -1 0 379.432 3.278 20 50 GGGDRM CCO[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C12CCCCC2 ZINC001596824806 985429938 /nfs/dbraw/zinc/42/99/38/985429938.db2.gz XTTDQXWNDXAHSV-HOTGVXAUSA-N -1 0 379.432 3.278 20 50 GGGDRM CC(=O)Nc1cc(Cl)c(NC(=O)NNc2cc(F)ccc2F)cc1C(=O)[O-] ZINC001589173759 985540275 /nfs/dbraw/zinc/54/02/75/985540275.db2.gz NOWRLJBRZSAAIG-UHFFFAOYSA-N -1 0 398.753 3.423 20 50 GGGDRM Cc1[nH]c(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c(C)c1C(=O)[O-] ZINC001599953803 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CC[C@@H](C#N)Oc1cccc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594725391 987231360 /nfs/dbraw/zinc/23/13/60/987231360.db2.gz UTSKYMLDJHBECQ-AWEZNQCLSA-N -1 0 386.383 3.031 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC001594735789 987272418 /nfs/dbraw/zinc/27/24/18/987272418.db2.gz HNZAYZLKTZSHBF-QGZVFWFLSA-N -1 0 383.448 3.395 20 50 GGGDRM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001594736065 987274378 /nfs/dbraw/zinc/27/43/78/987274378.db2.gz JBTRTWTWNFFXAK-ZDUSSCGKSA-N -1 0 385.848 3.127 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001594737177 987279780 /nfs/dbraw/zinc/27/97/80/987279780.db2.gz RFNYLPZQXXFUGG-CQSZACIVSA-N -1 0 380.404 3.213 20 50 GGGDRM CCSCc1ccc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001597264530 987292189 /nfs/dbraw/zinc/29/21/89/987292189.db2.gz ZJWIGLMUGXYMFN-UHFFFAOYSA-N -1 0 379.507 3.147 20 50 GGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNC(=O)CCCc2ccccc2)cc1 ZINC001589637826 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GGGDRM COC(=O)c1cc(NC(=O)NNc2cc(F)cc(Cl)c2)ccc1C(=O)[O-] ZINC001598946907 998074234 /nfs/dbraw/zinc/07/42/34/998074234.db2.gz KGYPAYBTKVRHSH-UHFFFAOYSA-N -1 0 381.747 3.113 20 50 GGGDRM COC(=O)c1cc(NNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC001598948907 998109007 /nfs/dbraw/zinc/10/90/07/998109007.db2.gz JNJQUVVRMSRHHZ-UHFFFAOYSA-N -1 0 375.356 3.076 20 50 GGGDRM COc1cc(OC)cc(C2(C(=O)NNc3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC001599451695 998113389 /nfs/dbraw/zinc/11/33/89/998113389.db2.gz QIUZPBYXZSOSPQ-UHFFFAOYSA-N -1 0 384.432 3.357 20 50 GGGDRM COc1cc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)ccc1Br ZINC001599355430 998171720 /nfs/dbraw/zinc/17/17/20/998171720.db2.gz UEDOXOVWKVIURK-UHFFFAOYSA-N -1 0 383.173 3.052 20 50 GGGDRM COc1cc(OS(=O)(=O)c2ccc(CCCCl)cc2)ccc1C(=O)[O-] ZINC001599455904 998187775 /nfs/dbraw/zinc/18/77/75/998187775.db2.gz FAIWKDZLSZLZHJ-UHFFFAOYSA-N -1 0 384.837 3.333 20 50 GGGDRM COc1cc(C(=O)[O-])cc(NC(=O)NN=c2ccc3ccccc3[nH]2)c1OC ZINC001599360170 998247655 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ZINC000826242320 1423724225 /nfs/dbraw/zinc/72/42/25/1423724225.db2.gz KDOXOTBSLUNHJX-AWEZNQCLSA-N -1 0 379.468 3.388 20 50 GGGDRM Cc1cccc(C2(C(=O)NNc3oc(C(C)C)nc3-c3nn[n-]n3)CCCC2)c1 ZINC000737390184 1429679234 /nfs/dbraw/zinc/67/92/34/1429679234.db2.gz RRNHVXMLCZHBCI-UHFFFAOYSA-N -1 0 395.467 3.242 20 50 GGGDRM COc1ccc(C=C(C#N)C(=O)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826190711 1424047320 /nfs/dbraw/zinc/04/73/20/1424047320.db2.gz KNDPGFJPPSRHGX-JYRVWZFOSA-N -1 0 397.341 3.267 20 50 GGGDRM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000819766170 1424140212 /nfs/dbraw/zinc/14/02/12/1424140212.db2.gz VTDWZNFXHYEEII-PKNBQFBNSA-N -1 0 388.353 3.432 20 50 GGGDRM N#Cc1ccc(NNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826386029 1424252132 /nfs/dbraw/zinc/25/21/32/1424252132.db2.gz MBBXHMJFFHHMER-UHFFFAOYSA-N -1 0 381.399 3.162 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821055778 1424340105 /nfs/dbraw/zinc/34/01/05/1424340105.db2.gz 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394.317 3.415 20 50 GGGDRM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)C(C#N)=C1Nc2ccccc2N1 ZINC000820555024 1425991846 /nfs/dbraw/zinc/99/18/46/1425991846.db2.gz DWFGNPCBRNYDSG-NSHDSACASA-N -1 0 389.444 3.189 20 50 GGGDRM O=C(CCCc1ccccc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822958664 1426338842 /nfs/dbraw/zinc/33/88/42/1426338842.db2.gz ACISVUANCLGAEK-UHFFFAOYSA-N -1 0 390.369 3.352 20 50 GGGDRM Cc1cc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c(C)n1-c1ccccc1 ZINC000826260081 1426365720 /nfs/dbraw/zinc/36/57/20/1426365720.db2.gz VEWJXLIYYFKRPX-UHFFFAOYSA-N -1 0 385.431 3.038 20 50 GGGDRM O=C(Cc1csc2ccc(Cl)cc12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423707 1426509853 /nfs/dbraw/zinc/50/98/53/1426509853.db2.gz BYWCACSXKBXOCO-UHFFFAOYSA-N -1 0 384.852 3.421 20 50 GGGDRM Cc1sc2[nH]c(C(C#N)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc(=O)c2c1C ZINC000826350290 1426538299 /nfs/dbraw/zinc/53/82/99/1426538299.db2.gz PJWXHLUSQZSDNW-WZUFQYTHSA-N -1 0 393.407 3.397 20 50 GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000823281354 1426567659 /nfs/dbraw/zinc/56/76/59/1426567659.db2.gz RDEFMMRTXDGJSB-UHFFFAOYSA-N -1 0 388.309 3.389 20 50 GGGDRM Cc1cc(C(=O)NNc2ccc(F)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236116 1426691302 /nfs/dbraw/zinc/69/13/02/1426691302.db2.gz BHQBNCWBKOFNCJ-UHFFFAOYSA-N -1 0 391.410 3.170 20 50 GGGDRM Cc1sc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)cc3F)nc(=O)c2c1C ZINC000822562694 1426765231 /nfs/dbraw/zinc/76/52/31/1426765231.db2.gz DCMLUZNIKVHUAY-LFYBBSHMSA-N -1 0 393.407 3.397 20 50 GGGDRM CCCCSCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821077773 1426864593 /nfs/dbraw/zinc/86/45/93/1426864593.db2.gz SHZSRRMKTLILPD-UHFFFAOYSA-N -1 0 388.419 3.252 20 50 GGGDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(Cl)cc1Cl ZINC000826402490 1427094419 /nfs/dbraw/zinc/09/44/19/1427094419.db2.gz VSPDJPZGBPEHSQ-VMPITWQZSA-N -1 0 375.219 3.330 20 50 GGGDRM C[C@H]1C[C@H](CC(=O)NNc2cc(-c3nn[n-]n3)cc(Cl)n2)CC(C)(C)C1 ZINC000824875504 1427125815 /nfs/dbraw/zinc/12/58/15/1427125815.db2.gz MMJJOVRLFDWUIO-WDEREUQCSA-N -1 0 377.880 3.211 20 50 GGGDRM CC(=CC(=O)NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1Cl ZINC000823943099 1427295969 /nfs/dbraw/zinc/29/59/69/1427295969.db2.gz NAMYPRALYNZALU-TWGQIWQCSA-N -1 0 390.234 3.115 20 50 GGGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795695 1427389218 /nfs/dbraw/zinc/38/92/18/1427389218.db2.gz FWLHWGLTPXCHFM-VMPITWQZSA-N -1 0 375.175 3.312 20 50 GGGDRM COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1-c1nn[n-]n1 ZINC000737074107 1427449248 /nfs/dbraw/zinc/44/92/48/1427449248.db2.gz FCFOWFWEVUHSAZ-MDWZMJQESA-N -1 0 394.822 3.383 20 50 GGGDRM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000826379475 1427461617 /nfs/dbraw/zinc/46/16/17/1427461617.db2.gz SOHJDQJCYPZOAD-WZUFQYTHSA-N -1 0 376.326 3.416 20 50 GGGDRM COc1cccc(C=C(C#N)C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826215414 1427470611 /nfs/dbraw/zinc/47/06/11/1427470611.db2.gz OCPDEGXKFDQCAN-VGOFMYFVSA-N -1 0 395.806 3.179 20 50 GGGDRM 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O=C([O-])c1cncc(NC(=O)NNc2cc(Cl)ccc2Br)c1 ZINC001594780205 953623995 /nfs/dbraw/zinc/62/39/95/953623995.db2.gz NPYVTVQLINTWEF-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC001594781416 953631766 /nfs/dbraw/zinc/63/17/66/953631766.db2.gz NZFWRTKSOVZQFC-UHFFFAOYSA-N -1 0 381.363 3.255 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(Br)c1Cl ZINC001594781789 953636998 /nfs/dbraw/zinc/63/69/98/953636998.db2.gz HMIANEUXZZOYKM-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC001594781783 953637227 /nfs/dbraw/zinc/63/72/27/953637227.db2.gz HCFGRYKCZFQCMW-UHFFFAOYSA-N -1 0 379.348 3.476 20 50 GGGDRM O=C([O-])c1cccc(NC(=O)NNc2ccccc2I)c1 ZINC001594782044 953641681 /nfs/dbraw/zinc/64/16/81/953641681.db2.gz PCIDUITZXPFNMG-UHFFFAOYSA-N -1 0 397.172 3.138 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC001594782194 953643009 /nfs/dbraw/zinc/64/30/09/953643009.db2.gz RJCCLCASPPMWIT-UHFFFAOYSA-N -1 0 397.366 3.042 20 50 GGGDRM O=C([O-])[C@]1(NC(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)CCOC1 ZINC001594810276 953809494 /nfs/dbraw/zinc/80/94/94/953809494.db2.gz JMVRNVUFVMPLEJ-MFKMUULPSA-N -1 0 398.790 3.271 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2ccc(-c3cccc(C(F)(F)F)c3)nn2)CC=CC1 ZINC001594864866 954313552 /nfs/dbraw/zinc/31/35/52/954313552.db2.gz PLPBNZTUXFLVKL-UHFFFAOYSA-N -1 0 392.337 3.027 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2c(F)cc(F)cc2Br)CCCCC1 ZINC001594864903 954313889 /nfs/dbraw/zinc/31/38/89/954313889.db2.gz PRZKUIKDCZUCOM-UHFFFAOYSA-N -1 0 377.185 3.206 20 50 GGGDRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC001594903150 954652017 /nfs/dbraw/zinc/65/20/17/954652017.db2.gz RUEDTMTXBHDZMQ-ZWKOTPCHSA-N -1 0 393.892 3.450 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(Br)cc1Cl)C(=O)[O-] ZINC001603010353 972061727 /nfs/dbraw/zinc/06/17/27/972061727.db2.gz GCWABILGIWZMNK-SECBINFHSA-N -1 0 392.681 3.476 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)[O-])c2C)cc1 ZINC000737194110 955217991 /nfs/dbraw/zinc/21/79/91/955217991.db2.gz AKSXESABMQLWQX-BGARDKSCSA-N -1 0 395.459 3.237 20 50 GGGDRM COCCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C ZINC000737768015 955226185 /nfs/dbraw/zinc/22/61/85/955226185.db2.gz LFRWIGFNLFEGNY-PDGQHHTCSA-N -1 0 387.480 3.077 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c2C)cc1 ZINC000737917116 955229411 /nfs/dbraw/zinc/22/94/11/955229411.db2.gz BSYNMDIAIINBNS-DZBQEORWSA-N -1 0 395.459 3.189 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000738060106 955231303 /nfs/dbraw/zinc/23/13/03/955231303.db2.gz NYNRNAXKYPTIMH-SMLKNPDNSA-N -1 0 395.459 3.485 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738059939 955231646 /nfs/dbraw/zinc/23/16/46/955231646.db2.gz LPAAOXUDCXUGAE-MXDDHBLUSA-N -1 0 395.459 3.485 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC000738378184 955237868 /nfs/dbraw/zinc/23/78/68/955237868.db2.gz BOGYNCQZXIWCGE-YCPFAOKUSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CC(=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000738378402 955239421 /nfs/dbraw/zinc/23/94/21/955239421.db2.gz FYSLIXDLNZAECM-MFOYZWKCSA-N -1 0 395.463 3.437 20 50 GGGDRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCO1 ZINC000738547034 955249116 /nfs/dbraw/zinc/24/91/16/955249116.db2.gz JGDIVZVZVOBHJG-CABZTGNLSA-N -1 0 398.790 3.223 20 50 GGGDRM O=C([O-])[C@H]1CN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCO1 ZINC000738547936 955249126 /nfs/dbraw/zinc/24/91/26/955249126.db2.gz JGDIVZVZVOBHJG-SKDRFNHKSA-N -1 0 398.790 3.223 20 50 GGGDRM O=C([O-])C1CCC(NC(=O)NNc2nc(Cl)c(Cl)cc2Cl)CC1 ZINC000739454695 955253885 /nfs/dbraw/zinc/25/38/85/955253885.db2.gz UFIDYHZKHTXNHY-UHFFFAOYSA-N -1 0 381.647 3.311 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)NCCCCC(=O)[O-])cc2C1 ZINC000840992868 955577265 /nfs/dbraw/zinc/57/72/65/955577265.db2.gz SRRDJRRXQPFQJI-ZDUSSCGKSA-N -1 0 395.525 3.098 20 50 GGGDRM C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846771383 955728513 /nfs/dbraw/zinc/72/85/13/955728513.db2.gz IUWOOXXJDISZHD-VBNZEHGJSA-N -1 0 387.929 3.272 20 50 GGGDRM C[C@H](NC(=O)NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593288 955766083 /nfs/dbraw/zinc/76/60/83/955766083.db2.gz DFIJNQAEJXJZKH-GARJFASQSA-N -1 0 389.374 3.347 20 50 GGGDRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589079338 955840740 /nfs/dbraw/zinc/84/07/40/955840740.db2.gz OAUPFDPCLJOEKT-VIFPVBQESA-N -1 0 396.216 3.003 20 50 GGGDRM O=C([O-])CC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000852949599 955870285 /nfs/dbraw/zinc/87/02/85/955870285.db2.gz ZQHPCWRXHXKUGU-UHFFFAOYSA-N -1 0 381.643 3.361 20 50 GGGDRM N#Cc1ccc(NNC(=O)NCc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001594624124 956302810 /nfs/dbraw/zinc/30/28/10/956302810.db2.gz QSWMQVWWSYFSRM-UHFFFAOYSA-N -1 0 378.310 3.102 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC001593956087 956425584 /nfs/dbraw/zinc/42/55/84/956425584.db2.gz JFUBVEHGMJEGOP-LZNAANCOSA-N -1 0 387.480 3.123 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001593956355 956430765 /nfs/dbraw/zinc/43/07/65/956430765.db2.gz TWZZZUPQWFWEEF-JSRODLPJSA-N -1 0 395.459 3.161 20 50 GGGDRM C[C@@H](Oc1cccnc1NC(=O)NNc1ncccc1C(=O)[O-])c1ccccc1 ZINC001589168474 956442947 /nfs/dbraw/zinc/44/29/47/956442947.db2.gz DVMDPSQGDFZFLW-CYBMUJFWSA-N -1 0 393.403 3.463 20 50 GGGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003429306 956868487 /nfs/dbraw/zinc/86/84/87/956868487.db2.gz QFQZWAKAYIWRMP-CXUHLZMHSA-N -1 0 377.805 3.142 20 50 GGGDRM C[C@@]1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]1Br ZINC001589246307 956924795 /nfs/dbraw/zinc/92/47/95/956924795.db2.gz CXRHXNRULHPEGB-OQPBUACISA-N -1 0 379.613 3.472 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)Cc2cccc3ccccc32)cc1)C(=O)[O-] ZINC000013136321 956947233 /nfs/dbraw/zinc/94/72/33/956947233.db2.gz KISOJBQQURWQLR-OAHLLOKOSA-N -1 0 376.412 3.385 20 50 GGGDRM O=C([O-])c1cccnc1SCC(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000013188556 956974232 /nfs/dbraw/zinc/97/42/32/956974232.db2.gz AZQGYPFTMSPTIE-UHFFFAOYSA-N -1 0 391.452 3.441 20 50 GGGDRM CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)c1C ZINC000023218411 957157244 /nfs/dbraw/zinc/15/72/44/957157244.db2.gz HQQCFDNWRVEJSR-OQLLNIDSSA-N -1 0 396.399 3.062 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c2ccccc2n1 ZINC001594281132 957744408 /nfs/dbraw/zinc/74/44/08/957744408.db2.gz SSCJRROYJKLCSB-UHFFFAOYSA-N -1 0 378.388 3.016 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2c(F)cc(F)cc2Br)c1 ZINC001594288452 957797683 /nfs/dbraw/zinc/79/76/83/957797683.db2.gz QKAVIPIHSZUGQW-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC001594288432 957797833 /nfs/dbraw/zinc/79/78/33/957797833.db2.gz PNTKQXSFKMJLHF-AWEZNQCLSA-N -1 0 392.411 3.075 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c(C)n1CC(C)C ZINC001594300459 957900753 /nfs/dbraw/zinc/90/07/53/957900753.db2.gz KEJPTGPSYLVIOO-YVLHZVERSA-N -1 0 397.479 3.323 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C)n1CC(C)C ZINC001594300544 957900977 /nfs/dbraw/zinc/90/09/77/957900977.db2.gz MRIKVGBBDTTWJS-GUBQRQEFSA-N -1 0 393.487 3.480 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC001594300570 957902497 /nfs/dbraw/zinc/90/24/97/957902497.db2.gz OXSYHOOVJSOFEA-BPBFYJGLSA-N -1 0 381.407 3.120 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC001594300572 957902753 /nfs/dbraw/zinc/90/27/53/957902753.db2.gz OXSYHOOVJSOFEA-YEHLXVFXSA-N -1 0 381.407 3.120 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC001594301258 957913190 /nfs/dbraw/zinc/91/31/90/957913190.db2.gz RAYLINTVQPJOGM-ZXMBATIKSA-N -1 0 381.407 3.073 20 50 GGGDRM Cc1cc(NC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC001594323270 958139331 /nfs/dbraw/zinc/13/93/31/958139331.db2.gz ROWWCOQAWSWVMX-UHFFFAOYSA-N -1 0 399.447 3.222 20 50 GGGDRM COc1cc(NNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594066783 958141871 /nfs/dbraw/zinc/14/18/71/958141871.db2.gz YAUULOGNBHLMOO-ZFWWWQNUSA-N -1 0 375.812 3.288 20 50 GGGDRM COc1ccc(-c2ccc(C(=O)NNc3ncccc3C(=O)[O-])c(F)c2)cc1 ZINC001594071354 958188093 /nfs/dbraw/zinc/18/80/93/958188093.db2.gz VSXVKBGMRCFUJN-UHFFFAOYSA-N -1 0 381.363 3.351 20 50 GGGDRM Cc1cc(OCc2ccccc2)c(C(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001594327986 958189412 /nfs/dbraw/zinc/18/94/12/958189412.db2.gz CIIGKPDBQYXXHA-UHFFFAOYSA-N -1 0 383.429 3.486 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c2C)cc1 ZINC001594074180 958201522 /nfs/dbraw/zinc/20/15/22/958201522.db2.gz LNLQOBGGODYPAZ-WQRHYEAKSA-N -1 0 395.459 3.331 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])C(C)C)c2C)cc1 ZINC001594074840 958208008 /nfs/dbraw/zinc/20/80/08/958208008.db2.gz XBYUFBMJIHBRMQ-KDMTZKAISA-N -1 0 395.459 3.235 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])C(C)C)c2C)cc1 ZINC001594074839 958208024 /nfs/dbraw/zinc/20/80/24/958208024.db2.gz XBYUFBMJIHBRMQ-FVECTHPASA-N -1 0 395.459 3.235 20 50 GGGDRM COc1ccc(NNC(=O)c2cc(C)cc(C(=O)[O-])c2)c(Br)c1 ZINC001594105916 958467655 /nfs/dbraw/zinc/46/76/55/958467655.db2.gz QNJKHPTXCSULQC-UHFFFAOYSA-N -1 0 379.210 3.221 20 50 GGGDRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594369231 958529422 /nfs/dbraw/zinc/52/94/22/958529422.db2.gz BBDNNRSPWGJTIP-UHFFFAOYSA-N -1 0 385.424 3.221 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386649 958680878 /nfs/dbraw/zinc/68/08/78/958680878.db2.gz SIFMVGSTSYRLQU-HDZGYNCQSA-N -1 0 377.444 3.243 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386767 958682602 /nfs/dbraw/zinc/68/26/02/958682602.db2.gz ZUBCTYLRKPPGTL-NAKRCHQVSA-N -1 0 377.444 3.289 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386768 958682839 /nfs/dbraw/zinc/68/28/39/958682839.db2.gz ZUBCTYLRKPPGTL-WYSTVIAQSA-N -1 0 377.444 3.289 20 50 GGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1cccc(OC(F)F)c1Br ZINC001573389836 958687935 /nfs/dbraw/zinc/68/79/35/958687935.db2.gz HMOFIYGHGBARGY-SECBINFHSA-N -1 0 395.200 3.241 20 50 GGGDRM COc1ccccc1NNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594146040 958762294 /nfs/dbraw/zinc/76/22/94/958762294.db2.gz LUYNCQSWIMLENF-UHFFFAOYSA-N -1 0 380.198 3.305 20 50 GGGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)n1 ZINC001588626089 959578255 /nfs/dbraw/zinc/57/82/55/959578255.db2.gz NGVSAJLSXOMIQD-UHFFFAOYSA-N -1 0 393.447 3.446 20 50 GGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001588642728 959705666 /nfs/dbraw/zinc/70/56/66/959705666.db2.gz FCWJFKAJQKHQNQ-WFASDCNBSA-N -1 0 394.537 3.407 20 50 GGGDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NNc1cc(Cl)ccc1Cl)O2 ZINC001605770039 972475007 /nfs/dbraw/zinc/47/50/07/972475007.db2.gz WANDKWAYESPUFO-JRKQCGKRSA-N -1 0 388.251 3.032 20 50 GGGDRM C[C@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(C(=O)[O-])cc3F)cc2C1 ZINC001573738394 960468000 /nfs/dbraw/zinc/46/80/00/960468000.db2.gz FJTBFQHFTBFKJN-VIFPVBQESA-N -1 0 391.424 3.177 20 50 GGGDRM CSc1cc(Br)ccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001574257162 960540081 /nfs/dbraw/zinc/54/00/81/960540081.db2.gz JSVMTAJLUZPSQQ-UHFFFAOYSA-N -1 0 382.239 3.021 20 50 GGGDRM Cc1c2cc(Br)ccc2oc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001574297001 960700689 /nfs/dbraw/zinc/70/06/89/960700689.db2.gz XLAZZGCOFKRRIM-UHFFFAOYSA-N -1 0 390.193 3.354 20 50 GGGDRM CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC001573791096 960751012 /nfs/dbraw/zinc/75/10/12/960751012.db2.gz FTGZOMNBCDCNBN-DISPHTKASA-N -1 0 383.423 3.367 20 50 GGGDRM Cc1cc(F)c(Br)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001574330696 960882197 /nfs/dbraw/zinc/88/21/97/960882197.db2.gz JJIYWZRTEYYJMV-UHFFFAOYSA-N -1 0 383.177 3.138 20 50 GGGDRM Cc1cc(NC(=O)NNc2ncccc2C(=O)[O-])nn1-c1ccccc1Cl ZINC001574338263 960924554 /nfs/dbraw/zinc/92/45/54/960924554.db2.gz KGBPIBMOINPCAO-UHFFFAOYSA-N -1 0 386.799 3.076 20 50 GGGDRM CC(C)(C)OC(=O)c1ccc[nH]c1=NNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588731730 961090073 /nfs/dbraw/zinc/09/00/73/961090073.db2.gz FYDHXWZZBQOLIY-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001573847845 961102103 /nfs/dbraw/zinc/10/21/03/961102103.db2.gz AUVXDSYOUGHCIT-IBGZPJMESA-N -1 0 375.494 3.158 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001588739467 961152802 /nfs/dbraw/zinc/15/28/02/961152802.db2.gz OOIDUZMFHJRWRB-HRCADAONSA-N -1 0 385.577 3.269 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001574390121 961166514 /nfs/dbraw/zinc/16/65/14/961166514.db2.gz ZUBCTYLRKPPGTL-FRTKNVGNSA-N -1 0 377.444 3.289 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc3ccccn3c2C(=O)[O-])c1C ZINC001573866635 961195861 /nfs/dbraw/zinc/19/58/61/961195861.db2.gz DKGHAJIDNSNUTD-LFIBNONCSA-N -1 0 391.431 3.407 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573920438 961531590 /nfs/dbraw/zinc/53/15/90/961531590.db2.gz ZJEAOJKSSFJDSU-BRBKRDGESA-N -1 0 378.428 3.151 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573952390 961649859 /nfs/dbraw/zinc/64/98/59/961649859.db2.gz JHOPUTXJWCNYPQ-GQCTYLIASA-N -1 0 379.210 3.459 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573952391 961650853 /nfs/dbraw/zinc/65/08/53/961650853.db2.gz JHOPUTXJWCNYPQ-XQRVVYSFSA-N -1 0 379.210 3.459 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001574537732 961925117 /nfs/dbraw/zinc/92/51/17/961925117.db2.gz HVXOVZVCLYBIAC-UHFFFAOYSA-N -1 0 394.865 3.304 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001588852964 961951391 /nfs/dbraw/zinc/95/13/91/961951391.db2.gz NAOXLGFRGNLGND-SECBINFHSA-N -1 0 392.681 3.476 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC001574579156 962098124 /nfs/dbraw/zinc/09/81/24/962098124.db2.gz XCMKZRJWXIPDFR-UHFFFAOYSA-N -1 0 391.378 3.197 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2)CC(=O)[O-] ZINC001588894427 962225648 /nfs/dbraw/zinc/22/56/48/962225648.db2.gz RYWRDIAEIUADSZ-ZDUSSCGKSA-N -1 0 395.525 3.098 20 50 GGGDRM COC(=O)Cc1ccc(NNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001574070117 962248198 /nfs/dbraw/zinc/24/81/98/962248198.db2.gz RVVNVTDDSWRXEN-UHFFFAOYSA-N -1 0 395.774 3.041 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC001574119152 962480677 /nfs/dbraw/zinc/48/06/77/962480677.db2.gz PIXCVAREFIGREE-ANQVYJHKSA-N -1 0 395.459 3.234 20 50 GGGDRM CC(C)c1c(C(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001588963133 962634334 /nfs/dbraw/zinc/63/43/34/962634334.db2.gz INMGEONEFKCZQT-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM CC(C)c1c(C(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccccc1Cl ZINC001588963283 962636622 /nfs/dbraw/zinc/63/66/22/962636622.db2.gz MZLWDZJMYNDZEY-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM CC(C)c1ccc(Cn2nccc2NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001588968061 962656143 /nfs/dbraw/zinc/65/61/43/962656143.db2.gz AGPSLPSSQOJRIP-UHFFFAOYSA-N -1 0 394.435 3.297 20 50 GGGDRM C#CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573303092 962670457 /nfs/dbraw/zinc/67/04/57/962670457.db2.gz UUZNGWIGNWXPLW-QMDZLVRISA-N -1 0 395.846 3.247 20 50 GGGDRM C=C(CCC(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001573337710 962867459 /nfs/dbraw/zinc/86/74/59/962867459.db2.gz QIWWYRCCIRSVFY-UHFFFAOYSA-N -1 0 381.148 3.332 20 50 GGGDRM COc1ccc(NNC(=O)Nc2ccccc2CC(=O)[O-])c(Br)c1 ZINC001574219336 962957988 /nfs/dbraw/zinc/95/79/88/962957988.db2.gz XCQOSAZMVHJFFC-UHFFFAOYSA-N -1 0 394.225 3.233 20 50 GGGDRM C[C@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC000848585437 969265323 /nfs/dbraw/zinc/26/53/23/969265323.db2.gz LVCZWZSVKYJPKG-RXMQYKEDSA-N -1 0 385.045 3.103 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCC1 ZINC001605814781 972539323 /nfs/dbraw/zinc/53/93/23/972539323.db2.gz SVRVKXFQAXXHAD-INIZCTEOSA-N -1 0 390.436 3.206 20 50 GGGDRM O=C([O-])c1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1Br ZINC001605815350 972542488 /nfs/dbraw/zinc/54/24/88/972542488.db2.gz FZEGZESBOXSOMY-UHFFFAOYSA-N -1 0 395.169 3.204 20 50 GGGDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ccccc32)c2ccccc21 ZINC001605815730 972545883 /nfs/dbraw/zinc/54/58/83/972545883.db2.gz TUOSUNOUNSXTNW-RBUKOAKNSA-N -1 0 389.411 3.097 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC001605820800 972548441 /nfs/dbraw/zinc/54/84/41/972548441.db2.gz FCTSKSDTYAYXCL-UHFFFAOYSA-N -1 0 397.416 3.242 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(Oc2ccc(Cl)cn2)c1 ZINC001605820793 972548979 /nfs/dbraw/zinc/54/89/79/972548979.db2.gz DOHVQKGRDOEGBH-UHFFFAOYSA-N -1 0 384.779 3.377 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605164064 972856867 /nfs/dbraw/zinc/85/68/67/972856867.db2.gz JUJKHUMDSSRPPZ-BVZCLVNKSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605164062 972857251 /nfs/dbraw/zinc/85/72/51/972857251.db2.gz JUJKHUMDSSRPPZ-AAKHDSTQSA-N -1 0 395.434 3.463 20 50 GGGDRM O=C([O-])[C@@]1(C(=O)NNc2ccc(-c3ccc(Cl)s3)nn2)CC=CCC1 ZINC001605935999 972878214 /nfs/dbraw/zinc/87/82/14/972878214.db2.gz WMSOOAXLNRDTIO-INIZCTEOSA-N -1 0 378.841 3.113 20 50 GGGDRM O=C([O-])CC1(C(=O)NNc2cccc(OC(F)F)c2Br)CCC1 ZINC001606071504 973217011 /nfs/dbraw/zinc/21/70/11/973217011.db2.gz DMDMCXCAYCKFIA-UHFFFAOYSA-N -1 0 393.184 3.139 20 50 GGGDRM O=C([O-])CCCCC(=O)NNc1cccc(OC(F)F)c1Br ZINC001606146080 973400957 /nfs/dbraw/zinc/40/09/57/973400957.db2.gz GYXWOUXQKFRHPL-UHFFFAOYSA-N -1 0 381.173 3.139 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC001606215429 973463224 /nfs/dbraw/zinc/46/32/24/973463224.db2.gz AFYJJLZPEFWPDU-UHFFFAOYSA-N -1 0 385.464 3.073 20 50 GGGDRM O=C([O-])c1cc(NC(=O)[C@]2(c3ccccc3)C[C@H]2Br)ccc1O ZINC001606464845 973922601 /nfs/dbraw/zinc/92/26/01/973922601.db2.gz ILCSUKUGCRAWOU-PBHICJAKSA-N -1 0 376.206 3.134 20 50 GGGDRM O=C([O-])c1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)ccc1O ZINC001606464849 973922749 /nfs/dbraw/zinc/92/27/49/973922749.db2.gz ILCSUKUGCRAWOU-RHSMWYFYSA-N -1 0 376.206 3.134 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001606528806 974038177 /nfs/dbraw/zinc/03/81/77/974038177.db2.gz QPCDQSPHIIMYQE-UHFFFAOYSA-N -1 0 378.310 3.054 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC001605677249 974091970 /nfs/dbraw/zinc/09/19/70/974091970.db2.gz WSFCJVJGYKXFAL-UHFFFAOYSA-N -1 0 388.232 3.254 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001603967455 974443980 /nfs/dbraw/zinc/44/39/80/974443980.db2.gz CNMKAQXPAPSATI-UHFFFAOYSA-N -1 0 377.238 3.396 20 50 GGGDRM CC(C)Oc1c(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cccc1C(=O)[O-] ZINC001591747134 975790090 /nfs/dbraw/zinc/79/00/90/975790090.db2.gz ITULAQKWJSPNBA-UHFFFAOYSA-N -1 0 399.447 3.303 20 50 GGGDRM CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccc(C(=O)[O-])cn3)n2)cc1 ZINC001591943449 976479625 /nfs/dbraw/zinc/47/96/25/976479625.db2.gz KDOVKDJDRBXILN-UHFFFAOYSA-N -1 0 395.419 3.029 20 50 GGGDRM CC(C)c1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c(=O)[nH]1 ZINC001591943562 976481160 /nfs/dbraw/zinc/48/11/60/976481160.db2.gz VOWADILKPAGEFK-UHFFFAOYSA-N -1 0 394.225 3.128 20 50 GGGDRM CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC001592130380 976957719 /nfs/dbraw/zinc/95/77/19/976957719.db2.gz AATAJIKOGIANQP-HNNXBMFYSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)CCC2 ZINC001592130681 976959381 /nfs/dbraw/zinc/95/93/81/976959381.db2.gz FGSLTNPAMPXPTK-CQSZACIVSA-N -1 0 375.404 3.005 20 50 GGGDRM C[C@@H](CC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccncc1 ZINC001592253569 977486810 /nfs/dbraw/zinc/48/68/10/977486810.db2.gz ZZZQBUNLTQIHKI-JTQLQIEISA-N -1 0 378.226 3.179 20 50 GGGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC001592391140 977935505 /nfs/dbraw/zinc/93/55/05/977935505.db2.gz CSVWLYAZHKELAU-SSDOTTSWSA-N -1 0 383.164 3.412 20 50 GGGDRM C[C@H](CC(=O)[O-])CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001592391318 977936381 /nfs/dbraw/zinc/93/63/81/977936381.db2.gz HMVALOJVXMNVBM-WCQYABFASA-N -1 0 380.510 3.161 20 50 GGGDRM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(CCCl)cc1 ZINC000729665835 978295153 /nfs/dbraw/zinc/29/51/53/978295153.db2.gz NRGKDWRORHFCSE-UHFFFAOYSA-N -1 0 379.865 3.308 20 50 GGGDRM COc1ccc(-c2cc(N)c(C(=O)NN=Cc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000730558279 978297243 /nfs/dbraw/zinc/29/72/43/978297243.db2.gz ZNLTUHLYCWLICX-UHFFFAOYSA-N -1 0 395.440 3.468 20 50 GGGDRM Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000731563739 978299633 /nfs/dbraw/zinc/29/96/33/978299633.db2.gz SQYQBYVAKNQLIK-OVCLIPMQSA-N -1 0 395.371 3.221 20 50 GGGDRM Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000731562888 978299909 /nfs/dbraw/zinc/29/99/09/978299909.db2.gz JNLRNDFFLSXFIN-OVCLIPMQSA-N -1 0 395.371 3.221 20 50 GGGDRM CC(C)(C)c1ccc(OCC(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736298781 978318444 /nfs/dbraw/zinc/31/84/44/978318444.db2.gz BPTSRFCXPOMUAM-SFHVURJKSA-N -1 0 390.867 3.463 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736431848 978334439 /nfs/dbraw/zinc/33/44/39/978334439.db2.gz HTGIPHURQHHAGZ-IBGZPJMESA-N -1 0 381.432 3.043 20 50 GGGDRM CC(C)Oc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000736492798 978339232 /nfs/dbraw/zinc/33/92/32/978339232.db2.gz IMESLTLWGCUHFZ-UHFFFAOYSA-N -1 0 380.740 3.348 20 50 GGGDRM CC(C)c1ccccc1NC(=S)NNC(=O)CCc1ccc(C(=O)[O-])cc1 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COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c2C)cc1 ZINC000737917532 978457604 /nfs/dbraw/zinc/45/76/04/978457604.db2.gz GLBJVNYCDQBRAI-SFQUDFHCSA-N -1 0 395.459 3.331 20 50 GGGDRM COc1ccc(Br)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737917929 978457806 /nfs/dbraw/zinc/45/78/06/978457806.db2.gz TYLSIOMDWILSJH-UHFFFAOYSA-N -1 0 396.149 3.283 20 50 GGGDRM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000737939395 978460970 /nfs/dbraw/zinc/46/09/70/978460970.db2.gz GVWMADIXVHGUPT-UHFFFAOYSA-N -1 0 383.853 3.366 20 50 GGGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Br)c1 ZINC000737946673 978461921 /nfs/dbraw/zinc/46/19/21/978461921.db2.gz GTNHANRUEJOMRO-UHFFFAOYSA-N -1 0 396.149 3.283 20 50 GGGDRM Cc1cc(C(=O)NN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1-c1ccccc1 ZINC000738332626 978517407 /nfs/dbraw/zinc/51/74/07/978517407.db2.gz LRGIUHAHHDAUMV-FQEVSTJZSA-N -1 0 388.427 3.026 20 50 GGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000738346372 978522141 /nfs/dbraw/zinc/52/21/41/978522141.db2.gz SAGLIOCVZBNIIL-UHFFFAOYSA-N -1 0 393.856 3.002 20 50 GGGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c2c(n1)onc2C(C)C ZINC000738353668 978522943 /nfs/dbraw/zinc/52/29/43/978522943.db2.gz VBCGGBQFVABYJX-UHFFFAOYSA-N -1 0 385.332 3.480 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)n1CC(C)C ZINC000738378214 978528342 /nfs/dbraw/zinc/52/83/42/978528342.db2.gz CCPDDNGIDFFGET-OMCISZLKSA-N -1 0 398.415 3.385 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC000738378182 978528383 /nfs/dbraw/zinc/52/83/83/978528383.db2.gz BOGYNCQZXIWCGE-GYXHFJGISA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC000738378267 978528426 /nfs/dbraw/zinc/52/84/26/978528426.db2.gz CSKPFRCULWZUQE-MVDPLZLPSA-N -1 0 386.496 3.317 20 50 GGGDRM Cc1cc(C=NNC(=O)c2cccc(OC(F)F)c2)cc(C)c1OCC(=O)[O-] ZINC000738379080 978529740 /nfs/dbraw/zinc/52/97/40/978529740.db2.gz 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O=C([O-])[C@H](NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000739336334 978629229 /nfs/dbraw/zinc/62/92/29/978629229.db2.gz FRHFKFIJVDRICD-OAQYLSRUSA-N -1 0 394.402 3.318 20 50 GGGDRM O=C([O-])c1cc(OC(=O)COc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000739337226 978629553 /nfs/dbraw/zinc/62/95/53/978629553.db2.gz OYRCPODAFFFYDT-UHFFFAOYSA-N -1 0 385.250 3.296 20 50 GGGDRM O=C([O-])c1ccc(COc2ccc(C=NNC(=O)Cc3cccnc3)cc2)cc1 ZINC000739348834 978631211 /nfs/dbraw/zinc/63/12/11/978631211.db2.gz FMCDVKDLOPWBMS-UHFFFAOYSA-N -1 0 389.411 3.052 20 50 GGGDRM O=C([O-])c1cc(OC(=O)Cc2csc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000739355381 978631942 /nfs/dbraw/zinc/63/19/42/978631942.db2.gz JARFTIARAKBFEZ-UHFFFAOYSA-N -1 0 398.396 3.488 20 50 GGGDRM O=C([O-])c1ccc(OCCNC(=O)NNc2ccccc2C(F)(F)F)cc1 ZINC000739427428 978634734 /nfs/dbraw/zinc/63/47/34/978634734.db2.gz OZFSJNWOHSKRSV-UHFFFAOYSA-N -1 0 383.326 3.109 20 50 GGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1 ZINC000739453419 978637111 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O=C([O-])COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000739830937 978655721 /nfs/dbraw/zinc/65/57/21/978655721.db2.gz GBNKROJDOZGRIU-UHFFFAOYSA-N -1 0 396.149 3.040 20 50 GGGDRM O=C([O-])Nc1ccc(CCNC(=O)NNC(=O)c2ccc3ccccc3c2)cc1 ZINC000740023978 978663224 /nfs/dbraw/zinc/66/32/24/978663224.db2.gz SMRUNRVMOLBOFE-UHFFFAOYSA-N -1 0 392.415 3.116 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000740307082 978674502 /nfs/dbraw/zinc/67/45/02/978674502.db2.gz IMVFSBZVURNGRE-OAHLLOKOSA-N -1 0 387.344 3.070 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cccc(OCc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000740308698 978675778 /nfs/dbraw/zinc/67/57/78/978675778.db2.gz ZPULZKFYTKELMZ-UHFFFAOYSA-N -1 0 394.339 3.486 20 50 GGGDRM Cc1cc(C)[nH]c(=NNC(=O)c2ccccc2SCc2occc2C(=O)[O-])n1 ZINC000766861171 978727482 /nfs/dbraw/zinc/72/74/82/978727482.db2.gz ZHDOPZCJCGKDGO-UHFFFAOYSA-N -1 0 398.444 3.434 20 50 GGGDRM O=C([O-])[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)Cc1cccc(F)c1 ZINC000776640321 978764014 /nfs/dbraw/zinc/76/40/14/978764014.db2.gz WXRJNIYCSXQCDU-BWQRHGBYSA-N -1 0 398.272 3.139 20 50 GGGDRM COc1cc(NS(=O)(=O)c2ccc(CCCCl)cc2)ccc1C(=O)[O-] ZINC000788488845 978797554 /nfs/dbraw/zinc/79/75/54/978797554.db2.gz FOSXGISOCKLYGI-UHFFFAOYSA-N -1 0 383.853 3.366 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000794690132 978816115 /nfs/dbraw/zinc/81/61/15/978816115.db2.gz GQIDHVCRNKXVQB-AAWHYMEISA-N -1 0 386.354 3.040 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000794690134 978816338 /nfs/dbraw/zinc/81/63/38/978816338.db2.gz GQIDHVCRNKXVQB-IYVNWDGISA-N -1 0 386.354 3.040 20 50 GGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794691095 978817105 /nfs/dbraw/zinc/81/71/05/978817105.db2.gz YWRJJNXQMCFMAS-QXPQOBGOSA-N -1 0 380.400 3.483 20 50 GGGDRM Cc1cc(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000794866398 978824056 /nfs/dbraw/zinc/82/40/56/978824056.db2.gz RXFWFYLLCOUMAC-AWEZNQCLSA-N -1 0 377.400 3.159 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)CCSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794876917 978824783 /nfs/dbraw/zinc/82/47/83/978824783.db2.gz ABGWCXHZSXSZFX-CYBMUJFWSA-N -1 0 390.436 3.310 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000794882996 978825706 /nfs/dbraw/zinc/82/57/06/978825706.db2.gz VWPQRDOKCXCIGO-SECBINFHSA-N -1 0 397.250 3.126 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000794909226 978828175 /nfs/dbraw/zinc/82/81/75/978828175.db2.gz NZENXYWTAQQIEV-NSHDSACASA-N -1 0 380.322 3.321 20 50 GGGDRM CCCCOc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1OC ZINC000814755073 978881193 /nfs/dbraw/zinc/88/11/93/978881193.db2.gz ISORRNOYQGXGOV-UONOGXRCSA-N -1 0 376.453 3.481 20 50 GGGDRM COc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1Br ZINC000814845993 978892404 /nfs/dbraw/zinc/89/24/04/978892404.db2.gz BWEWGFMOKWWPEQ-UWVGGRQHSA-N -1 0 383.242 3.064 20 50 GGGDRM CC(=NNC(=O)c1cc(Br)ccc1O)c1cc(C(=O)[O-])cs1 ZINC000814856903 978893330 /nfs/dbraw/zinc/89/33/30/978893330.db2.gz CPMRWCHDZCGRDT-UHFFFAOYSA-N -1 0 383.223 3.068 20 50 GGGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814874410 978895378 /nfs/dbraw/zinc/89/53/78/978895378.db2.gz PLQKYGFLJQWUSV-STQMWFEESA-N -1 0 388.493 3.141 20 50 GGGDRM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)COCc1ccccc1 ZINC001592676082 979093617 /nfs/dbraw/zinc/09/36/17/979093617.db2.gz KKRCHHUCDDIDTQ-CYBMUJFWSA-N -1 0 375.400 3.003 20 50 GGGDRM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1cccc(Cl)c1 ZINC001592676281 979094876 /nfs/dbraw/zinc/09/48/76/979094876.db2.gz OFCPBUFIFYSBML-JTQLQIEISA-N -1 0 381.791 3.271 20 50 GGGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000833149181 979095853 /nfs/dbraw/zinc/09/58/53/979095853.db2.gz HHEAZAWHXOYCNW-ZIAGYGMSSA-N -1 0 378.494 3.059 20 50 GGGDRM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)COCc1ccccc1 ZINC001592676547 979096181 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GGGDRM CC[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1ccccc1F ZINC001595149979 979637645 /nfs/dbraw/zinc/63/76/45/979637645.db2.gz LSAUCIFOFHIARR-LBPRGKRZSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1cccc(F)c1 ZINC001595149994 979638019 /nfs/dbraw/zinc/63/80/19/979638019.db2.gz LXXLNIHBSAHEST-CYBMUJFWSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1cccc(F)c1 ZINC001595149996 979638212 /nfs/dbraw/zinc/63/82/12/979638212.db2.gz LXXLNIHBSAHEST-ZDUSSCGKSA-N -1 0 379.363 3.147 20 50 GGGDRM C[C@@H](Cc1ccc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592873119 979734141 /nfs/dbraw/zinc/73/41/41/979734141.db2.gz RJVKGPXCAQZRDR-AWEZNQCLSA-N -1 0 383.448 3.080 20 50 GGGDRM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592882972 979755917 /nfs/dbraw/zinc/75/59/17/979755917.db2.gz IMQKGCXBWLMNQD-JTQLQIEISA-N -1 0 383.326 3.000 20 50 GGGDRM CC[C@](COC)(NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC001595186986 979838401 /nfs/dbraw/zinc/83/84/01/979838401.db2.gz HTQQLURADUEZCW-PETIARSGSA-N -1 0 389.496 3.054 20 50 GGGDRM CC[C@@H](Cc1ccccc1Br)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001595213845 980010498 /nfs/dbraw/zinc/01/04/98/980010498.db2.gz ZJRJAMBKCWNWCH-NSHDSACASA-N -1 0 392.253 3.254 20 50 GGGDRM CC[C@@H](Sc1ccccc1)C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595358832 980735920 /nfs/dbraw/zinc/73/59/20/980735920.db2.gz TYWGHXQRARJZIH-CQSZACIVSA-N -1 0 379.507 3.151 20 50 GGGDRM CC[C@@H]1[C@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC001595404912 980983708 /nfs/dbraw/zinc/98/37/08/980983708.db2.gz MJOTYFPTVBCMGH-UKRRQHHQSA-N -1 0 395.431 3.003 20 50 GGGDRM CC[C@H]1[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC001595404913 980983838 /nfs/dbraw/zinc/98/38/38/980983838.db2.gz MJOTYFPTVBCMGH-ZFWWWQNUSA-N -1 0 395.431 3.003 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908175203 981278862 /nfs/dbraw/zinc/27/88/62/981278862.db2.gz SCLALWXFKPSTRD-YJVGMPMCSA-N -1 0 378.332 3.041 20 50 GGGDRM CCCC(=O)Nc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001595532012 981369567 /nfs/dbraw/zinc/36/95/67/981369567.db2.gz YLBPQRMKERUXEM-UHFFFAOYSA-N -1 0 384.436 3.258 20 50 GGGDRM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595547430 981419987 /nfs/dbraw/zinc/41/99/87/981419987.db2.gz SHVJNIXCNUHZKL-GOSISDBHSA-N -1 0 383.420 3.051 20 50 GGGDRM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001595635694 981907475 /nfs/dbraw/zinc/90/74/75/981907475.db2.gz HIMFZWXCGIQODA-CYBMUJFWSA-N -1 0 396.396 3.282 20 50 GGGDRM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595635832 981909276 /nfs/dbraw/zinc/90/92/76/981909276.db2.gz NAYNNIWVCIMXHR-CYBMUJFWSA-N -1 0 383.420 3.051 20 50 GGGDRM CC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001594836538 982039660 /nfs/dbraw/zinc/03/96/60/982039660.db2.gz ZEHIIYWZEAKHNT-SJAXDAAESA-N -1 0 395.459 3.379 20 50 GGGDRM CCCCCn1cc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)c(C)n1 ZINC001595727160 982349834 /nfs/dbraw/zinc/34/98/34/982349834.db2.gz IYEVQQZZQFTJEN-UHFFFAOYSA-N -1 0 377.420 3.045 20 50 GGGDRM CCCCCn1nc(C(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc2c1=O ZINC001595727504 982352310 /nfs/dbraw/zinc/35/23/10/982352310.db2.gz NDCDAUHAKLDFLQ-UHFFFAOYSA-N -1 0 394.431 3.042 20 50 GGGDRM CCCCOc1cc(OC)ccc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595773955 982526724 /nfs/dbraw/zinc/52/67/24/982526724.db2.gz BWORCQBIXKAMNE-UHFFFAOYSA-N -1 0 376.384 3.468 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001595796154 982600334 /nfs/dbraw/zinc/60/03/34/982600334.db2.gz IBKCGBYEZRUDNA-UHFFFAOYSA-N -1 0 391.518 3.349 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1C ZINC001595803998 982627010 /nfs/dbraw/zinc/62/70/10/982627010.db2.gz YNTNCOCSIHGXTI-LOHYDARVSA-N -1 0 389.496 3.149 20 50 GGGDRM CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)[O-])cc2OC)cc1 ZINC000915841211 982668447 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C#C[C@@H](NC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccccc1 ZINC001588373660 983339131 /nfs/dbraw/zinc/33/91/31/983339131.db2.gz IJSQRDCOTIEMKK-CQSZACIVSA-N -1 0 388.221 3.148 20 50 GGGDRM C#C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001588374535 983345170 /nfs/dbraw/zinc/34/51/70/983345170.db2.gz YROYEPCYCSZHHO-OAHLLOKOSA-N -1 0 388.221 3.148 20 50 GGGDRM CCCc1nc2ccccc2n1CCC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001596100479 983423389 /nfs/dbraw/zinc/42/33/89/983423389.db2.gz QVIRRMUSLZUOEN-UHFFFAOYSA-N -1 0 384.411 3.360 20 50 GGGDRM CCCc1noc2nc(CC)cc(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)c12 ZINC001596101222 983425070 /nfs/dbraw/zinc/42/50/70/983425070.db2.gz HOMYQMXKGKLZAG-UHFFFAOYSA-N -1 0 386.383 3.332 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1C ZINC001596107650 983432081 /nfs/dbraw/zinc/43/20/81/983432081.db2.gz HTQCFWZZOLVNAE-VWOYCULZSA-N -1 0 394.475 3.323 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1C ZINC001596108356 983434273 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GGGDRM CCN(CC)c1ccc2cc(C(=O)NNc3cccc(C(=O)[O-])c3)c(=O)oc2c1 ZINC001596293035 983713530 /nfs/dbraw/zinc/71/35/30/983713530.db2.gz VFRPXAMRBSTYNE-UHFFFAOYSA-N -1 0 395.415 3.094 20 50 GGGDRM CCN(Cc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)=O ZINC001596373179 983875754 /nfs/dbraw/zinc/87/57/54/983875754.db2.gz AUXMASKKMSMJDC-UHFFFAOYSA-N -1 0 388.399 3.041 20 50 GGGDRM CCN1C(=O)C[C@@H](C(=O)NNc2ccc(C)c(C(=O)[O-])c2)[C@H]1c1cccc(C)c1 ZINC001596390707 983924847 /nfs/dbraw/zinc/92/48/47/983924847.db2.gz ZGRFOGRSPAFYJH-UYAOXDASSA-N -1 0 395.459 3.054 20 50 GGGDRM CCNC(=O)Nc1cccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1C ZINC001596473221 984199075 /nfs/dbraw/zinc/19/90/75/984199075.db2.gz IMTRIJBMDOUMEO-UHFFFAOYSA-N -1 0 389.387 3.122 20 50 GGGDRM C=CCOc1ccc(/C=C/C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001588875104 984451134 /nfs/dbraw/zinc/45/11/34/984451134.db2.gz VZICASCNWQOSJF-WEVVVXLNSA-N -1 0 386.379 3.254 20 50 GGGDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1ccc(CCCl)cc1 ZINC001599888297 984663824 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GGGDRM CC(=O)N(c1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1)C1CC1 ZINC001589051778 985141549 /nfs/dbraw/zinc/14/15/49/985141549.db2.gz NRDVHMDGGMDJFZ-UHFFFAOYSA-N -1 0 386.383 3.188 20 50 GGGDRM CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C12CCCCC2 ZINC001596821978 985418134 /nfs/dbraw/zinc/41/81/34/985418134.db2.gz HSPRLKLKXLIRKP-DLBZAZTESA-N -1 0 375.469 3.068 20 50 GGGDRM CCO[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C12CCCCC2 ZINC001596824370 985428920 /nfs/dbraw/zinc/42/89/20/985428920.db2.gz WERMCCLLYOJSOE-HOTGVXAUSA-N -1 0 379.432 3.278 20 50 GGGDRM CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C12CCCCC2 ZINC001596824373 985429094 /nfs/dbraw/zinc/42/90/94/985429094.db2.gz WERMCCLLYOJSOE-JKSUJKDBSA-N -1 0 379.432 3.278 20 50 GGGDRM CC(=O)Nc1cc(Cl)c(NC(=O)NNc2ccnc(Cl)c2)cc1C(=O)[O-] ZINC001589173812 985541417 /nfs/dbraw/zinc/54/14/17/985541417.db2.gz PPCYYTZTJOXICZ-UHFFFAOYSA-N -1 0 398.206 3.194 20 50 GGGDRM CC(=O)Nc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c(F)cc1F ZINC001589180929 985556308 /nfs/dbraw/zinc/55/63/08/985556308.db2.gz UDPWQSVRJMYBFZ-UHFFFAOYSA-N -1 0 378.335 3.078 20 50 GGGDRM Cc1[nH]c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC001599953696 985652697 /nfs/dbraw/zinc/65/26/97/985652697.db2.gz HZIYXYOTKFZZOR-UHFFFAOYSA-N -1 0 386.286 3.014 20 50 GGGDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C ZINC001596869691 985690599 /nfs/dbraw/zinc/69/05/99/985690599.db2.gz RUOKXDZAQPOZAD-MVDPLZLPSA-N -1 0 389.496 3.006 20 50 GGGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC001599957069 985707444 /nfs/dbraw/zinc/70/74/44/985707444.db2.gz CGBUZZTWJWMDSI-UHFFFAOYSA-N -1 0 385.207 3.103 20 50 GGGDRM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599966026 985907605 /nfs/dbraw/zinc/90/76/05/985907605.db2.gz CPLLNLQTQDFWJD-UHFFFAOYSA-N -1 0 388.374 3.322 20 50 GGGDRM Cc1c(Br)cncc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599973846 986055320 /nfs/dbraw/zinc/05/53/20/986055320.db2.gz DRFMZMFFJGOGTM-UHFFFAOYSA-N -1 0 383.177 3.138 20 50 GGGDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001589323427 986146346 /nfs/dbraw/zinc/14/63/46/986146346.db2.gz DJEFGMURUVDSJM-UHFFFAOYSA-N -1 0 384.363 3.467 20 50 GGGDRM Cc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC001599981864 986174988 /nfs/dbraw/zinc/17/49/88/986174988.db2.gz FBZLDUVLFWOTJS-UHFFFAOYSA-N -1 0 384.823 3.218 20 50 GGGDRM Cc1c(C(=O)NNc2cccc(C(=O)[O-])c2F)cnn1-c1cccc(Cl)c1 ZINC001599982277 986179943 /nfs/dbraw/zinc/17/99/43/986179943.db2.gz NPRRUVMZKCWBFL-UHFFFAOYSA-N -1 0 388.786 3.428 20 50 GGGDRM Cc1c(C(=O)NNc2cccc(F)c2C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC001599982311 986181063 /nfs/dbraw/zinc/18/10/63/986181063.db2.gz PBALFXXEALQALS-UHFFFAOYSA-N -1 0 388.786 3.428 20 50 GGGDRM CCOc1c(Cl)cc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001596987113 986260863 /nfs/dbraw/zinc/26/08/63/986260863.db2.gz MUWPYCWOULMBGU-UHFFFAOYSA-N -1 0 378.812 3.131 20 50 GGGDRM CCOc1cc(C(=O)NNc2cc(F)cc(Cl)c2)ccc1OCC(=O)[O-] ZINC001597005743 986330704 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0 395.459 3.333 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC)C(=O)[O-])c2C)cc1 ZINC001597050082 986527594 /nfs/dbraw/zinc/52/75/94/986527594.db2.gz SLHLIXGWKQHMQC-PGNDWZGLSA-N -1 0 395.459 3.379 20 50 GGGDRM CCOc1ccc(C=C(C#N)C(=O)OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597081167 986622664 /nfs/dbraw/zinc/62/26/64/986622664.db2.gz BSHYYICUTQKLSN-DHDCSXOGSA-N -1 0 396.399 3.062 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001597081544 986626208 /nfs/dbraw/zinc/62/62/08/986626208.db2.gz LCLGUVNAZXZZBK-CKXDQPNJSA-N -1 0 397.456 3.277 20 50 GGGDRM CCOc1ccc(C[C@H](C)CNC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001597085440 986652688 /nfs/dbraw/zinc/65/26/88/986652688.db2.gz WICQTHIHVLHVSI-ZDUSSCGKSA-N -1 0 389.427 3.428 20 50 GGGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1OCCc2sccc21 ZINC001589424406 986691336 /nfs/dbraw/zinc/69/13/36/986691336.db2.gz VMTQOXQNLKBQFA-BJOHPYRUSA-N -1 0 380.853 3.493 20 50 GGGDRM CCOc1ccccc1OCCCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597184986 987044961 /nfs/dbraw/zinc/04/49/61/987044961.db2.gz DSRMNSMYFAXVRQ-UHFFFAOYSA-N -1 0 376.384 3.225 20 50 GGGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNC(=O)Cc2cccc3ccccc32)cc1 ZINC001589512213 987147832 /nfs/dbraw/zinc/14/78/32/987147832.db2.gz POMZZYGTMFARER-CQSZACIVSA-N -1 0 391.427 3.423 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001594735784 987272213 /nfs/dbraw/zinc/27/22/13/987272213.db2.gz HLYUPTYMZGZEHH-CYBMUJFWSA-N -1 0 375.812 3.385 20 50 GGGDRM CCSc1cc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)ccn1 ZINC001597268895 987312048 /nfs/dbraw/zinc/31/20/48/987312048.db2.gz ZYGKDYFUUUBIFY-UHFFFAOYSA-N -1 0 396.266 3.411 20 50 GGGDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597273109 987326368 /nfs/dbraw/zinc/32/63/68/987326368.db2.gz QICBZDSZBVQPJB-UHFFFAOYSA-N -1 0 379.369 3.301 20 50 GGGDRM CC(C)(C(=O)NNc1cccc(F)c1C(=O)[O-])[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001589574789 987349835 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GGGDRM CCc1cc(Br)ccc1NNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597423528 987745116 /nfs/dbraw/zinc/74/51/16/987745116.db2.gz CWDSPBULKDTHAO-UHFFFAOYSA-N -1 0 380.242 3.412 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001597424207 987746923 /nfs/dbraw/zinc/74/69/23/987746923.db2.gz NKACPDRRFKDTTM-UHFFFAOYSA-N -1 0 377.238 3.396 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001597424615 987748358 /nfs/dbraw/zinc/74/83/58/987748358.db2.gz UFPVQYPKNMYFOU-LBPRGKRZSA-N -1 0 384.274 3.139 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1ccsc1CC(=O)[O-] ZINC001597424801 987748542 /nfs/dbraw/zinc/74/85/42/987748542.db2.gz XMKZDFBDRHFJLR-UHFFFAOYSA-N -1 0 383.267 3.457 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589698653 987781838 /nfs/dbraw/zinc/78/18/38/987781838.db2.gz HDIXYJFVTIYSPB-TZMCWYRMSA-N -1 0 382.254 3.354 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001589700550 987792614 /nfs/dbraw/zinc/79/26/14/987792614.db2.gz 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COc1cc(Br)cc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001599346266 998011827 /nfs/dbraw/zinc/01/18/27/998011827.db2.gz NDHIRGSDDILYHW-UHFFFAOYSA-N -1 0 379.210 3.221 20 50 GGGDRM COc1ccc(CC[C@H](C)NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599553538 998051101 /nfs/dbraw/zinc/05/11/01/998051101.db2.gz IBFZJHKGXYCCPL-LBPRGKRZSA-N -1 0 375.400 3.180 20 50 GGGDRM COc1ccc(CCCC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC001599553892 998056644 /nfs/dbraw/zinc/05/66/44/998056644.db2.gz DVOMNQDUKXQMLR-UHFFFAOYSA-N -1 0 376.384 3.007 20 50 GGGDRM COc1ccc(CCCC(=O)NNc2cccc(C(=O)[O-])c2F)cc1OC ZINC001599554135 998061358 /nfs/dbraw/zinc/06/13/58/998061358.db2.gz XFZOYXWIEOBELS-UHFFFAOYSA-N -1 0 376.384 3.007 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2ncc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC001598946849 998073296 /nfs/dbraw/zinc/07/32/96/998073296.db2.gz GUSXRDOISNDMJG-UHFFFAOYSA-N -1 0 399.190 3.022 20 50 GGGDRM COC(=O)c1cc2cccnc2c(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001598946966 998075095 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COC(=O)c1cc2cccnc2c(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001598947108 998078013 /nfs/dbraw/zinc/07/80/13/998078013.db2.gz XDBXKXJGDLRRIB-UHFFFAOYSA-N -1 0 398.350 3.007 20 50 GGGDRM COc1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC(F)F ZINC001599355501 998172520 /nfs/dbraw/zinc/17/25/20/998172520.db2.gz XKQGSBISQQFVJH-UHFFFAOYSA-N -1 0 386.738 3.405 20 50 GGGDRM COc1cc(C(=O)[O-])cc(NC(=O)NN=c2[nH]c3ccccc3s2)c1OC ZINC001599360184 998247321 /nfs/dbraw/zinc/24/73/21/998247321.db2.gz HCGVIYIBMOQBEJ-UHFFFAOYSA-N -1 0 388.405 3.160 20 50 GGGDRM COCCOc1c(Cl)cccc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599252241 998251692 /nfs/dbraw/zinc/25/16/92/998251692.db2.gz IKKCFWIYGJNHSZ-UHFFFAOYSA-N -1 0 393.827 3.141 20 50 GGGDRM COc1cc2ccc(C(=O)NNc3cccc(F)c3C(=O)[O-])cc2cc1OC ZINC001599466366 998368223 /nfs/dbraw/zinc/36/82/23/998368223.db2.gz YTVXSCVZYAQLMR-UHFFFAOYSA-N -1 0 384.363 3.451 20 50 GGGDRM C[C@H]1[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001594137022 998385430 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/nfs/dbraw/zinc/92/27/24/601922724.db2.gz YOYMAEKPLWBJHO-RKQRPNFGSA-N -1 0 395.459 3.234 20 50 GGGDRM O=C([O-])Nc1cc(C(=O)NNC(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC000833282022 601952074 /nfs/dbraw/zinc/95/20/74/601952074.db2.gz STYALMDSPACASN-UHFFFAOYSA-N -1 0 388.346 3.072 20 50 GGGDRM O=C([O-])Nc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000833281141 601952212 /nfs/dbraw/zinc/95/22/12/601952212.db2.gz GFALKNKEYCAEMT-UHFFFAOYSA-N -1 0 384.270 3.460 20 50 GGGDRM O=C([O-])Nc1cc(C(=O)NNC(=O)CCc2ccccc2)cc(C(F)(F)F)c1 ZINC000833281275 601994181 /nfs/dbraw/zinc/99/41/81/601994181.db2.gz IBBOPEWIDVDYJC-UHFFFAOYSA-N -1 0 395.337 3.189 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccc(C(=O)[O-])s2)c1C ZINC000831800936 601996491 /nfs/dbraw/zinc/99/64/91/601996491.db2.gz UYNALYNDWALUNN-DHDCSXOGSA-N -1 0 388.445 3.161 20 50 GGGDRM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000825902764 604389619 /nfs/dbraw/zinc/38/96/19/604389619.db2.gz BBQBXYUPWBUBGA-UHFFFAOYSA-N -1 0 378.724 3.124 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833664383 604581768 /nfs/dbraw/zinc/58/17/68/604581768.db2.gz VEBLCJQXGQWOQB-YBEGLDIGSA-N -1 0 376.368 3.306 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccn(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000833785541 604662211 /nfs/dbraw/zinc/66/22/11/604662211.db2.gz BQRULCNUPDPDHJ-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM CCN(CC)c1nc2sc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2s1 ZINC000833654494 604800581 /nfs/dbraw/zinc/80/05/81/604800581.db2.gz RZMNUVMQEHMDIU-UHFFFAOYSA-N -1 0 391.478 3.054 20 50 GGGDRM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833634207 604800935 /nfs/dbraw/zinc/80/09/35/604800935.db2.gz LGWYJLRNIKTLEF-ZDUSSCGKSA-N -1 0 392.415 3.081 20 50 GGGDRM CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830265543 604804329 /nfs/dbraw/zinc/80/43/29/604804329.db2.gz BBLZZEFBZWWYOM-UHFFFAOYSA-N -1 0 375.425 3.026 20 50 GGGDRM CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccc(C(=O)[O-])cn2)ccc1F ZINC000833443035 604804485 /nfs/dbraw/zinc/80/44/85/604804485.db2.gz NXMDUIYHCYGBTF-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CCCOc1c(Cl)cc(C(=O)NNc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000833651794 604805280 /nfs/dbraw/zinc/80/52/80/604805280.db2.gz AAUFRSMMZFNVSZ-UHFFFAOYSA-N -1 0 393.827 3.378 20 50 GGGDRM O=C([O-])c1ccc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nc1 ZINC000833765738 604806111 /nfs/dbraw/zinc/80/61/11/604806111.db2.gz ZEWIQAWAAZVTEX-UHFFFAOYSA-N -1 0 388.836 3.243 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000833664177 604834709 /nfs/dbraw/zinc/83/47/09/604834709.db2.gz QKFMPCLZTGAKCT-WQRHYEAKSA-N -1 0 376.412 3.275 20 50 GGGDRM CCOc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000833662207 604914512 /nfs/dbraw/zinc/91/45/12/604914512.db2.gz CNTWGHYPQPLVBA-UHFFFAOYSA-N -1 0 398.337 3.324 20 50 GGGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000833411289 605181725 /nfs/dbraw/zinc/18/17/25/605181725.db2.gz ATKLOBUKRDUTHD-HNNXBMFYSA-N -1 0 391.265 3.173 20 50 GGGDRM CC(C)(C)n1ccnc1SCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833451303 605243762 /nfs/dbraw/zinc/24/37/62/605243762.db2.gz BGJQPUMCVZIEEB-UHFFFAOYSA-N -1 0 382.873 3.225 20 50 GGGDRM COc1cc2cc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)[nH]c2cc1OC ZINC000833729375 605244578 /nfs/dbraw/zinc/24/45/78/605244578.db2.gz BYSYKPLMVIZEJJ-UHFFFAOYSA-N -1 0 389.795 3.294 20 50 GGGDRM C=CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000833378134 605244888 /nfs/dbraw/zinc/24/48/88/605244888.db2.gz YIBQRNMRVYQVHT-UHFFFAOYSA-N -1 0 376.796 3.369 20 50 GGGDRM CC(C)c1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccn1 ZINC000833508492 605245384 /nfs/dbraw/zinc/24/53/84/605245384.db2.gz HMQKWADIDLCXBC-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833472073 605245443 /nfs/dbraw/zinc/24/54/43/605245443.db2.gz RRXWVBJKFISKHU-QGZVFWFLSA-N -1 0 387.823 3.457 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833440423 605245519 /nfs/dbraw/zinc/24/55/19/605245519.db2.gz XLQUYPHCZACQOR-AWEZNQCLSA-N -1 0 397.859 3.271 20 50 GGGDRM CC(C)(C)OC(=O)NCC(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833439033 605245541 /nfs/dbraw/zinc/24/55/41/605245541.db2.gz NUPQVUDJAVDOEF-UHFFFAOYSA-N -1 0 385.848 3.032 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833440035 605245652 /nfs/dbraw/zinc/24/56/52/605245652.db2.gz DFZASHBKNONPRF-WDEREUQCSA-N -1 0 397.859 3.175 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833662998 605245953 /nfs/dbraw/zinc/24/59/53/605245953.db2.gz DPCXYAATFPJMMU-UKTHLTGXSA-N -1 0 385.807 3.487 20 50 GGGDRM CCCc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)[nH]c(C)c1C(=O)OC ZINC000833652915 605246032 /nfs/dbraw/zinc/24/60/32/605246032.db2.gz IDKNTRPKSBQWRK-UHFFFAOYSA-N -1 0 393.827 3.171 20 50 GGGDRM COc1ccc(/C=C/C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000833732522 605246530 /nfs/dbraw/zinc/24/65/30/605246530.db2.gz NEURSPNGMOJPAK-XBXARRHUSA-N -1 0 376.796 3.212 20 50 GGGDRM CC(=O)CCc1ccc(OCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833388084 605246705 /nfs/dbraw/zinc/24/67/05/605246705.db2.gz HOVUQHLCVSFJKR-UHFFFAOYSA-N -1 0 390.823 3.082 20 50 GGGDRM CC(C)NC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833502737 605247162 /nfs/dbraw/zinc/24/71/62/605247162.db2.gz IIMRSWUOFWYPIF-UHFFFAOYSA-N -1 0 390.827 3.325 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833435131 605247333 /nfs/dbraw/zinc/24/73/33/605247333.db2.gz CEOXSIQKYIKKFL-UHFFFAOYSA-N -1 0 397.859 3.128 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833441022 605247386 /nfs/dbraw/zinc/24/73/86/605247386.db2.gz PDDGNXFSYHCRSK-GXTWGEPZSA-N -1 0 397.859 3.175 20 50 GGGDRM Cc1ccccc1-n1nc(C(=O)NNc2ccccc2C(=O)[O-])c2c1CCC2 ZINC000833752891 605259419 /nfs/dbraw/zinc/25/94/19/605259419.db2.gz DGIGMDSMBYCFAG-UHFFFAOYSA-N -1 0 376.416 3.125 20 50 GGGDRM CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1OCC(=O)[O-] ZINC000833384147 605323149 /nfs/dbraw/zinc/32/31/49/605323149.db2.gz DSKQLARWZTVSEO-UHFFFAOYSA-N -1 0 378.384 3.163 20 50 GGGDRM CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1OCC(=O)[O-] ZINC000833384533 605328742 /nfs/dbraw/zinc/32/87/42/605328742.db2.gz JWQUQFTWBOLWBL-UHFFFAOYSA-N -1 0 393.346 3.297 20 50 GGGDRM COc1ccc2[nH]c(=NNC(=O)CCc3ccc(C(=O)[O-])cc3)c(C)cc2c1 ZINC000833734834 605413095 /nfs/dbraw/zinc/41/30/95/605413095.db2.gz GFOIFLHADDHRNP-UHFFFAOYSA-N -1 0 379.416 3.326 20 50 GGGDRM C[C@@H]1CCCN(Cc2csc(NC(=O)NNc3cccc(C(=O)[O-])c3)n2)C1 ZINC000833615047 605631516 /nfs/dbraw/zinc/63/15/16/605631516.db2.gz ZRYIUUFWSYJUFG-GFCCVEGCSA-N -1 0 389.481 3.222 20 50 GGGDRM C[C@H]1CCCN(Cc2csc(NC(=O)NNc3cccc(C(=O)[O-])c3)n2)C1 ZINC000833615048 605631774 /nfs/dbraw/zinc/63/17/74/605631774.db2.gz ZRYIUUFWSYJUFG-LBPRGKRZSA-N -1 0 389.481 3.222 20 50 GGGDRM C[C@@H]1CN(c2ccccc2NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000833635315 605709940 /nfs/dbraw/zinc/70/99/40/605709940.db2.gz SDHHYTOAMSHDGR-OKILXGFUSA-N -1 0 384.436 3.147 20 50 GGGDRM Cc1c(NC(=O)NNc2cccc(C(=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000833742294 605712043 /nfs/dbraw/zinc/71/20/43/605712043.db2.gz PXOLEMBJQPEDSL-UHFFFAOYSA-N -1 0 382.420 3.078 20 50 GGGDRM CCc1noc(-c2ccc(C)c(NC(=O)NNc3cccc(C(=O)[O-])c3)c2)n1 ZINC000833679873 605714492 /nfs/dbraw/zinc/71/44/92/605714492.db2.gz ZHFWGWGSLQTZDS-UHFFFAOYSA-N -1 0 381.392 3.454 20 50 GGGDRM Cc1ccccc1-n1ccnc1SCC(=O)NNc1ccccc1C(=O)[O-] ZINC000833753218 605722777 /nfs/dbraw/zinc/72/27/77/605722777.db2.gz OSYDVCSRVFLXPM-UHFFFAOYSA-N -1 0 382.445 3.114 20 50 GGGDRM CC(C)(C)OC(=O)NC[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833438162 605723277 /nfs/dbraw/zinc/72/32/77/605723277.db2.gz HHDBIKKDNSBAGO-INIZCTEOSA-N -1 0 399.447 3.136 20 50 GGGDRM O=C([O-])c1ccccc1NNC(=O)COc1ccc(Br)cc1Cl ZINC000833764508 605724884 /nfs/dbraw/zinc/72/48/84/605724884.db2.gz KNZBNQIBTIUZOC-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM CC(C)(C)OC(=O)NCc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833443626 605730232 /nfs/dbraw/zinc/73/02/32/605730232.db2.gz YNZLJUPPOPIGCW-UHFFFAOYSA-N -1 0 385.420 3.166 20 50 GGGDRM C[C@@H](Oc1cccc(Br)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833540778 605730997 /nfs/dbraw/zinc/73/09/97/605730997.db2.gz XRQQPYWBIGRQGV-SNVBAGLBSA-N -1 0 379.210 3.058 20 50 GGGDRM CC(C)c1ccc(N2CC[C@@H](C(=O)NNc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000833510117 605732183 /nfs/dbraw/zinc/73/21/83/605732183.db2.gz LQWYPAJLZBQDJR-SFHVURJKSA-N -1 0 381.432 3.004 20 50 GGGDRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833467554 605732317 /nfs/dbraw/zinc/73/23/17/605732317.db2.gz YKSMMXWLVQMSMO-UHFFFAOYSA-N -1 0 375.812 3.390 20 50 GGGDRM CC(C)(C)OC(=O)c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833444041 605742907 /nfs/dbraw/zinc/74/29/07/605742907.db2.gz JXXOZZLDRMEIJG-UHFFFAOYSA-N -1 0 385.420 3.166 20 50 GGGDRM CC(C)(C)OC(=O)c1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833444526 605748103 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N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796756 1450114394 /nfs/dbraw/zinc/11/43/94/1450114394.db2.gz XRJKZMQOPVZACW-BAQGIRSFSA-N -1 0 375.175 3.312 20 50 GGGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000826447703 1450146045 /nfs/dbraw/zinc/14/60/45/1450146045.db2.gz SGOWNSDAFAMHFO-LJQANCHMSA-N -1 0 386.415 3.130 20 50 GGGDRM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000736118357 1450216360 /nfs/dbraw/zinc/21/63/60/1450216360.db2.gz NIEINFGNQCLSGC-VIFPVBQESA-N -1 0 375.795 3.047 20 50 GGGDRM O=C(C=CC1CCCCC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826399786 1450232865 /nfs/dbraw/zinc/23/28/65/1450232865.db2.gz GBHCJPIMBUTIBQ-TWGQIWQCSA-N -1 0 380.374 3.465 20 50 GGGDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1cc(Cl)ccc1Cl ZINC000826401598 1450236451 /nfs/dbraw/zinc/23/64/51/1450236451.db2.gz CDGMYESYAGZZMT-VMPITWQZSA-N -1 0 375.219 3.330 20 50 GGGDRM CCc1ccsc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821497451 1450251910 /nfs/dbraw/zinc/25/19/10/1450251910.db2.gz SPAZKCVMPGNWNB-UHFFFAOYSA-N -1 0 382.371 3.266 20 50 GGGDRM O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444798 1450280073 /nfs/dbraw/zinc/28/00/73/1450280073.db2.gz UUMHCHLOVHHOKW-UHFFFAOYSA-N -1 0 376.395 3.359 20 50 GGGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000826448459 1450315893 /nfs/dbraw/zinc/31/58/93/1450315893.db2.gz WSYMNKYILWHDGJ-QGZVFWFLSA-N -1 0 393.426 3.268 20 50 GGGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738136599 1450329901 /nfs/dbraw/zinc/32/99/01/1450329901.db2.gz HFNLDACVUMHOHU-QGZVFWFLSA-N -1 0 381.415 3.173 20 50 GGGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(OC(F)F)cc1 ZINC000826378802 1450390037 /nfs/dbraw/zinc/39/00/37/1450390037.db2.gz ARXLKCKQZJHLKE-QPEQYQDCSA-N -1 0 385.305 3.397 20 50 GGGDRM N#CC(=Cc1cnc(-c2ccccc2)nc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379558 1450467057 /nfs/dbraw/zinc/46/70/57/1450467057.db2.gz VOHZRZHZOAEUFH-GIJQJNRQSA-N -1 0 379.383 3.114 20 50 GGGDRM O=C([O-])C1CCC(NC(=O)NNc2ccc(Cl)cc2Br)CC1 ZINC001601558222 971015651 /nfs/dbraw/zinc/01/56/51/971015651.db2.gz OVIFHWWULKDFAC-UHFFFAOYSA-N -1 0 390.665 3.372 20 50 GGGDRM CC[C@@H](C)[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccccc1 ZINC000736319202 944800112 /nfs/dbraw/zinc/80/01/12/944800112.db2.gz IYMVFJMBBQRVIU-OCCSQVGLSA-N -1 0 383.456 3.251 20 50 GGGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cc3cccc(Cl)c3o2)o1 ZINC000820201813 945372633 /nfs/dbraw/zinc/37/26/33/945372633.db2.gz AGOPGVFYLZCMCP-UHFFFAOYSA-N -1 0 387.787 3.135 20 50 GGGDRM Cc1oc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1C ZINC000822540793 946119493 /nfs/dbraw/zinc/11/94/93/946119493.db2.gz GWMPRXNUNZCJRL-UHFFFAOYSA-N -1 0 380.330 3.161 20 50 GGGDRM C[C@@H](CCCc1ccccc1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824400438 946680069 /nfs/dbraw/zinc/68/00/69/946680069.db2.gz HVNYMANLRXLLPY-LBPRGKRZSA-N -1 0 385.859 3.017 20 50 GGGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001602805521 971587070 /nfs/dbraw/zinc/58/70/70/971587070.db2.gz YTCUDWBIBGMAGL-LLVKDONJSA-N -1 0 397.818 3.037 20 50 GGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(Cc2ccccc2Br)CC1 ZINC001595261986 949676597 /nfs/dbraw/zinc/67/65/97/949676597.db2.gz NSSIZSFGHJBKHS-UHFFFAOYSA-N -1 0 390.237 3.008 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589645965 949735208 /nfs/dbraw/zinc/73/52/08/949735208.db2.gz ZFMPRSGCMAXHAJ-NRFANRHFSA-N -1 0 388.464 3.218 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589645966 949735786 /nfs/dbraw/zinc/73/57/86/949735786.db2.gz ZFMPRSGCMAXHAJ-OAQYLSRUSA-N -1 0 388.464 3.218 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001589655749 949816159 /nfs/dbraw/zinc/81/61/59/949816159.db2.gz KLXZBBRWAOVJIJ-ZRDIBKRKSA-N -1 0 387.461 3.351 20 50 GGGDRM CC(C)(C)C[C@H](NC(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573843311 950171009 /nfs/dbraw/zinc/17/10/09/950171009.db2.gz UJLSVEWSVWKWEH-HNNXBMFYSA-N -1 0 380.456 3.065 20 50 GGGDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1 ZINC001595012373 951259223 /nfs/dbraw/zinc/25/92/23/951259223.db2.gz CUUGGTJREKDVPE-JOQOYGCGSA-N -1 0 380.282 3.195 20 50 GGGDRM CCOc1cc(Br)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001592009269 951291647 /nfs/dbraw/zinc/29/16/47/951291647.db2.gz MBYRFDYGAJUNST-UHFFFAOYSA-N -1 0 395.213 3.090 20 50 GGGDRM CCOc1ccc(Nc2ncccc2C(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001592705495 951359032 /nfs/dbraw/zinc/35/90/32/951359032.db2.gz QWPJPRIWGMISQA-UHFFFAOYSA-N -1 0 393.403 3.074 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNc2ncccc2Br)c1 ZINC001595064299 951535721 /nfs/dbraw/zinc/53/57/21/951535721.db2.gz QCPPDWRRZHPEGA-UHFFFAOYSA-N -1 0 379.214 3.010 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1 ZINC001595064234 951536073 /nfs/dbraw/zinc/53/60/73/951536073.db2.gz LWSYIAGRVWMPFF-UHFFFAOYSA-N -1 0 393.399 3.029 20 50 GGGDRM O=C([O-])Cc1ccccc1NC(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC001595136526 952057338 /nfs/dbraw/zinc/05/73/38/952057338.db2.gz KYQOJSRBXNMKFQ-UHFFFAOYSA-N -1 0 387.461 3.111 20 50 GGGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602923027 971883393 /nfs/dbraw/zinc/88/33/93/971883393.db2.gz OZYYSANMVMASJN-ROUUACIJSA-N -1 0 395.459 3.241 20 50 GGGDRM O=C([O-])c1ccccc1CNC(=O)NNc1cc(Br)ccc1F ZINC001594771971 953568940 /nfs/dbraw/zinc/56/89/40/953568940.db2.gz KCHBZPNJNLSWMW-UHFFFAOYSA-N -1 0 382.189 3.113 20 50 GGGDRM CCc1cc(Br)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001593628310 953571166 /nfs/dbraw/zinc/57/11/66/953571166.db2.gz GAOKRFBDVAHGHJ-UHFFFAOYSA-N -1 0 379.214 3.253 20 50 GGGDRM CCc1ccc(-c2nc(CC(=O)NNc3ncccc3C(=O)[O-])cs2)cc1 ZINC001593633490 953593184 /nfs/dbraw/zinc/59/31/84/953593184.db2.gz FYZSPDKXUZJSEP-UHFFFAOYSA-N -1 0 382.445 3.152 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)C1CCCC1 ZINC001594779219 953613456 /nfs/dbraw/zinc/61/34/56/953613456.db2.gz MLIHQYZPOGRCMY-MRXNPFEDSA-N -1 0 378.494 3.059 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)C1CCCC1 ZINC001594779218 953613714 /nfs/dbraw/zinc/61/37/14/953613714.db2.gz MLIHQYZPOGRCMY-INIZCTEOSA-N -1 0 378.494 3.059 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC001594779488 953616365 /nfs/dbraw/zinc/61/63/65/953616365.db2.gz SBMYRABWTLGAPE-SFHVURJKSA-N -1 0 381.432 3.397 20 50 GGGDRM O=C([O-])[C@H]1CC(C(=O)NNc2c(Cl)cccc2Cl)=NN1c1ccccc1 ZINC001594780071 953622171 /nfs/dbraw/zinc/62/21/71/953622171.db2.gz HBDGMBGOUAKHEC-CQSZACIVSA-N -1 0 393.230 3.156 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NNc2ccc(OC(F)F)cc2)c2ccccc21 ZINC001594780157 953623325 /nfs/dbraw/zinc/62/33/25/953623325.db2.gz LBIOLIRCEMZMKI-HUUCEWRRSA-N -1 0 377.347 3.227 20 50 GGGDRM O=C([O-])c1ccc(Br)c(NC(=O)NNc2ncccc2Cl)c1 ZINC001594781186 953630589 /nfs/dbraw/zinc/63/05/89/953630589.db2.gz IVAZJBARUHFFIX-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC001594781423 953631715 /nfs/dbraw/zinc/63/17/15/953631715.db2.gz ODMQGGBCYHHDBH-UHFFFAOYSA-N -1 0 392.202 3.029 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC001594781596 953633867 /nfs/dbraw/zinc/63/38/67/953633867.db2.gz QOEIOFCQUZJXGN-UHFFFAOYSA-N -1 0 397.337 3.046 20 50 GGGDRM CCc1cccc(C)c1NC(=S)NNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001593640106 953637216 /nfs/dbraw/zinc/63/72/16/953637216.db2.gz NMKPQWXAWZQVHZ-UHFFFAOYSA-N -1 0 377.510 3.300 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001594781868 953638282 /nfs/dbraw/zinc/63/82/82/953638282.db2.gz VZCZYFFAOHLYBT-UHFFFAOYSA-N -1 0 384.779 3.377 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC001594782172 953641258 /nfs/dbraw/zinc/64/12/58/953641258.db2.gz QHEOHJOLVCKCSU-UHFFFAOYSA-N -1 0 392.419 3.128 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC001594782248 953643180 /nfs/dbraw/zinc/64/31/80/953643180.db2.gz UQXMUSZRXMDUSF-UHFFFAOYSA-N -1 0 389.318 3.078 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC001594782219 953643405 /nfs/dbraw/zinc/64/34/05/953643405.db2.gz SQDHIEDAMFCDMR-UHFFFAOYSA-N -1 0 389.318 3.078 20 50 GGGDRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC001594902817 954648893 /nfs/dbraw/zinc/64/88/93/954648893.db2.gz OVUJUDDZIRKPCO-IRXDYDNUSA-N -1 0 379.865 3.059 20 50 GGGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001589476065 954958504 /nfs/dbraw/zinc/95/85/04/954958504.db2.gz UIEZOKFZKKGEJN-UHFFFAOYSA-N -1 0 393.447 3.268 20 50 GGGDRM O=C([O-])[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC001594964380 955035985 /nfs/dbraw/zinc/03/59/85/955035985.db2.gz ILCDLBMYWZIKDB-SFHVURJKSA-N -1 0 393.892 3.231 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000737051452 955218133 /nfs/dbraw/zinc/21/81/33/955218133.db2.gz TYKAWOALJMBGPP-DTBYZMGXSA-N -1 0 379.460 3.234 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)[O-])c2C)cc1 ZINC000737194113 955218655 /nfs/dbraw/zinc/21/86/55/955218655.db2.gz AKSXESABMQLWQX-JVVDOCDTSA-N -1 0 395.459 3.237 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001603024321 972082560 /nfs/dbraw/zinc/08/25/60/972082560.db2.gz GUXUIOOBJWVQBC-UHFFFAOYSA-N -1 0 399.447 3.205 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000818626929 955415929 /nfs/dbraw/zinc/41/59/29/955415929.db2.gz BWQIEESSECZLKZ-QGZVFWFLSA-N -1 0 398.463 3.436 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c2ccccc21 ZINC000846717211 955726991 /nfs/dbraw/zinc/72/69/91/955726991.db2.gz RDQKSUNQUMBYOF-KXELVBGISA-N -1 0 378.266 3.370 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c2ccccc21 ZINC000846717214 955727260 /nfs/dbraw/zinc/72/72/60/955727260.db2.gz RDQKSUNQUMBYOF-ZSKNKVCCSA-N -1 0 378.266 3.370 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c2ccccc21 ZINC000846717213 955727470 /nfs/dbraw/zinc/72/74/70/955727470.db2.gz RDQKSUNQUMBYOF-LNZRWYEDSA-N -1 0 378.266 3.370 20 50 GGGDRM Cc1ccc(NC(=O)NNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC000848595431 955769753 /nfs/dbraw/zinc/76/97/53/955769753.db2.gz HBJIERPBDPOBFT-SDDRHHMPSA-N -1 0 396.875 3.120 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2ccc(Br)cc2C(F)(F)F)CC=CC1 ZINC000852946609 955862892 /nfs/dbraw/zinc/86/28/92/955862892.db2.gz YFTBNWUGJNUJRK-UHFFFAOYSA-N -1 0 393.159 3.332 20 50 GGGDRM C[C@@](NC(=O)NNc1ncccc1C(=O)[O-])(c1ccc(F)cc1)C(F)(F)F ZINC001589108920 956052602 /nfs/dbraw/zinc/05/26/02/956052602.db2.gz SXKKLKQBPLTDFC-OAHLLOKOSA-N -1 0 386.305 3.023 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589166977 956427274 /nfs/dbraw/zinc/42/72/74/956427274.db2.gz CEKPYEHANULKCY-ZDUSSCGKSA-N -1 0 393.399 3.158 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1C ZINC001593956289 956429666 /nfs/dbraw/zinc/42/96/66/956429666.db2.gz QXWZWXPZOBSHBM-BBNBBRPLSA-N -1 0 387.480 3.074 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000901764027 956456300 /nfs/dbraw/zinc/45/63/00/956456300.db2.gz WSNVUYDHOQSIPI-HTQZYQBOSA-N -1 0 381.148 3.022 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCOc1ccccc1-c1ccccc1 ZINC001594688263 956727981 /nfs/dbraw/zinc/72/79/81/956727981.db2.gz SWHDHNIWJOGIIW-UHFFFAOYSA-N -1 0 377.400 3.359 20 50 GGGDRM O=C([O-])c1ccccc1CC(=O)NNc1cc(Cl)ccc1Br ZINC001594709754 956868458 /nfs/dbraw/zinc/86/84/58/956868458.db2.gz LLFITROZEUUUFD-UHFFFAOYSA-N -1 0 383.629 3.487 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(=O)[O-])c1C ZINC001594024278 957693687 /nfs/dbraw/zinc/69/36/87/957693687.db2.gz NFQSCNKJRNAANW-GZTJUZNOSA-N -1 0 381.432 3.304 20 50 GGGDRM COCc1c(C(=O)NNc2ncccc2C(=O)[O-])sc2cccc(F)c21 ZINC001594028153 957728157 /nfs/dbraw/zinc/72/81/57/957728157.db2.gz WDPSEKBRYQWBNQ-UHFFFAOYSA-N -1 0 375.381 3.037 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001594300356 957899303 /nfs/dbraw/zinc/89/93/03/957899303.db2.gz HBBZNHIWSYLNPL-GOOACJRRSA-N -1 0 381.407 3.120 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1-c1ccccc1F ZINC001594300710 957904309 /nfs/dbraw/zinc/90/43/09/957904309.db2.gz BRFWQNSOUJIWDR-LDADJPATSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1-c1ccccc1F ZINC001594300712 957904351 /nfs/dbraw/zinc/90/43/51/957904351.db2.gz BRFWQNSOUJIWDR-PDGQHHTCSA-N -1 0 395.434 3.463 20 50 GGGDRM O=C([O-])c1cccnc1N[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001574820446 957907041 /nfs/dbraw/zinc/90/70/41/957907041.db2.gz PXIIGAZXYWYRIA-UHFFFAOYSA-N -1 0 376.146 3.322 20 50 GGGDRM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603199426 972302540 /nfs/dbraw/zinc/30/25/40/972302540.db2.gz BVMORDMGAISTFQ-SNVBAGLBSA-N -1 0 383.326 3.000 20 50 GGGDRM COc1cc(C(=O)NNc2ncccc2C(=O)[O-])cc(Cl)c1OCC(C)C ZINC001594051461 957996596 /nfs/dbraw/zinc/99/65/96/957996596.db2.gz RDLOZPWYVVHZRO-UHFFFAOYSA-N -1 0 393.827 3.234 20 50 GGGDRM Cc1cc(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)ccc1C(=O)[O-] ZINC001594323268 958139640 /nfs/dbraw/zinc/13/96/40/958139640.db2.gz RNKVLDKRVQPDBH-UHFFFAOYSA-N -1 0 387.461 3.490 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])C(C)C)c2C)cc1 ZINC001594074842 958207186 /nfs/dbraw/zinc/20/71/86/958207186.db2.gz XBYUFBMJIHBRMQ-ZZODWALSSA-N -1 0 395.459 3.235 20 50 GGGDRM COc1ccc(Br)c(NNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001594075139 958212657 /nfs/dbraw/zinc/21/26/57/958212657.db2.gz DLCUDTSPPUZBHF-UHFFFAOYSA-N -1 0 385.258 3.326 20 50 GGGDRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594335446 958260707 /nfs/dbraw/zinc/26/07/07/958260707.db2.gz AUWYCWWOOJTKCP-UHFFFAOYSA-N -1 0 381.367 3.438 20 50 GGGDRM COc1ccc(NNC(=O)C2(C(=O)[O-])CCCCCC2)c(Br)c1 ZINC001594105847 958465822 /nfs/dbraw/zinc/46/58/22/958465822.db2.gz OQTMSPYAXWIOCW-UHFFFAOYSA-N -1 0 385.258 3.326 20 50 GGGDRM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001573339983 958532716 /nfs/dbraw/zinc/53/27/16/958532716.db2.gz JQGOGBBMFXWFPX-MDZDMXLPSA-N -1 0 381.310 3.225 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386650 958681302 /nfs/dbraw/zinc/68/13/02/958681302.db2.gz SIFMVGSTSYRLQU-HPKGMJOESA-N -1 0 377.444 3.243 20 50 GGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC001573390358 958693037 /nfs/dbraw/zinc/69/30/37/958693037.db2.gz JRKXVDKYFIZUSQ-QGZVFWFLSA-N -1 0 395.415 3.003 20 50 GGGDRM COc1ccccc1C=C(C(=O)NNc1ncccc1C(=O)[O-])c1ccccc1 ZINC001594144086 958746397 /nfs/dbraw/zinc/74/63/97/958746397.db2.gz KOGMRYDYXIENMV-NBVRZTHBSA-N -1 0 389.411 3.472 20 50 GGGDRM CC(C)C[C@@H](CNC(=O)NNc1c(F)cc(F)cc1Br)C(=O)[O-] ZINC001573510999 959094910 /nfs/dbraw/zinc/09/49/10/959094910.db2.gz OEKPQRCDJVFUEV-QMMMGPOBSA-N -1 0 394.216 3.100 20 50 GGGDRM CSc1cc(C(=O)NNc2ncccc2C(=O)[O-])ccc1Br ZINC001594189735 959162343 /nfs/dbraw/zinc/16/23/43/959162343.db2.gz OWDVREFNSKRKPS-UHFFFAOYSA-N -1 0 382.239 3.021 20 50 GGGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC001594228142 959449943 /nfs/dbraw/zinc/44/99/43/959449943.db2.gz KWMHAIBQBOQZDJ-KQDJYFMNSA-N -1 0 382.041 3.310 20 50 GGGDRM Cc1nn(-c2ccccc2)c2sc(C(=O)NNc3ncccc3C(=O)[O-])cc12 ZINC001594477205 959611182 /nfs/dbraw/zinc/61/11/82/959611182.db2.gz DJWMLUNYBGJVEF-UHFFFAOYSA-N -1 0 393.428 3.246 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccccc1C(=O)[O-] ZINC001603280486 972509077 /nfs/dbraw/zinc/50/90/77/972509077.db2.gz ZVGVHMTUGCQKIY-ZDUSSCGKSA-N -1 0 393.399 3.158 20 50 GGGDRM O=C([O-])c1cccc(CNC(=O)NN=c2[nH]c3ccc(Cl)cc3s2)c1 ZINC001605800914 972516601 /nfs/dbraw/zinc/51/66/01/972516601.db2.gz PJILWTOCNHJWGC-UHFFFAOYSA-N -1 0 376.825 3.474 20 50 GGGDRM O=C([O-])c1ccccc1CNC(=O)NNc1cc(F)ccc1Br ZINC001605808668 972527504 /nfs/dbraw/zinc/52/75/04/972527504.db2.gz WQBKZYZIHCFJDZ-UHFFFAOYSA-N -1 0 382.189 3.113 20 50 GGGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC001573785366 960734065 /nfs/dbraw/zinc/73/40/65/960734065.db2.gz QZPNNYACCNXFDO-UHFFFAOYSA-N -1 0 378.425 3.206 20 50 GGGDRM Cc1cc(Br)c(C(=O)NNc2ncccc2C(=O)[O-])cc1Cl ZINC001574306368 960738398 /nfs/dbraw/zinc/73/83/98/960738398.db2.gz IBVVFFOMTTVRRM-UHFFFAOYSA-N -1 0 384.617 3.261 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccc1F ZINC001574326757 960862322 /nfs/dbraw/zinc/86/23/22/960862322.db2.gz UZAXEZPMCLEWCN-LZOLKVDOSA-N -1 0 383.423 3.366 20 50 GGGDRM Cc1cc(NC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1C(=O)[O-] ZINC001574338376 960925689 /nfs/dbraw/zinc/92/56/89/960925689.db2.gz PZEGHOVDHIZJJN-SNVBAGLBSA-N -1 0 387.461 3.346 20 50 GGGDRM CC(C)(C)OC(=O)Nc1cc(F)ccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001588724654 961021121 /nfs/dbraw/zinc/02/11/21/961021121.db2.gz KZJCXYJUGWTODP-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CC(C)(C)OC(=O)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])c(F)c1 ZINC001588732148 961093459 /nfs/dbraw/zinc/09/34/59/961093459.db2.gz MLKFAZYKKCTZEF-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001588739466 961152535 /nfs/dbraw/zinc/15/25/35/961152535.db2.gz OOIDUZMFHJRWRB-BZUAXINKSA-N -1 0 385.577 3.269 20 50 GGGDRM CC(C)(C)c1ccc(NNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001588741075 961166712 /nfs/dbraw/zinc/16/67/12/961166712.db2.gz LBNRANYXAJFJQO-SFHVURJKSA-N -1 0 380.448 3.147 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc3ccccn3c2C(=O)[O-])c1C ZINC001573866636 961195409 /nfs/dbraw/zinc/19/54/09/961195409.db2.gz DKGHAJIDNSNUTD-WJDWOHSUSA-N -1 0 391.431 3.407 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C ZINC001574401684 961235943 /nfs/dbraw/zinc/23/59/43/961235943.db2.gz ORVBLTRYOJWCAD-NAKRCHQVSA-N -1 0 377.444 3.289 20 50 GGGDRM CC(C)(CCNC(=O)NNc1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588773548 961263399 /nfs/dbraw/zinc/26/33/99/961263399.db2.gz ULJPDHJFAFLSRV-UHFFFAOYSA-N -1 0 378.654 3.230 20 50 GGGDRM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001574434445 961393589 /nfs/dbraw/zinc/39/35/89/961393589.db2.gz MZHHASRWHUMPJS-UHFFFAOYSA-N -1 0 399.838 3.052 20 50 GGGDRM CC(C)C[C@@H](CNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001588852965 961951499 /nfs/dbraw/zinc/95/14/99/961951499.db2.gz NAOXLGFRGNLGND-VIFPVBQESA-N -1 0 392.681 3.476 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001588867733 962030959 /nfs/dbraw/zinc/03/09/59/962030959.db2.gz HRLJCGQBZJXAIB-UHFFFAOYSA-N -1 0 399.447 3.205 20 50 GGGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001574091579 962345779 /nfs/dbraw/zinc/34/57/79/962345779.db2.gz LULCMXRTFOIJFT-UHFFFAOYSA-N -1 0 381.747 3.113 20 50 GGGDRM CC(C)Oc1cc(C(=O)NNc2ncccc2C(=O)[O-])ccc1Br ZINC001588935391 962493360 /nfs/dbraw/zinc/49/33/60/962493360.db2.gz YZBXPLSDDGKMPC-UHFFFAOYSA-N -1 0 394.225 3.086 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588962864 962630597 /nfs/dbraw/zinc/63/05/97/962630597.db2.gz CEQIZGHRWRBGCY-GARJFASQSA-N -1 0 383.880 3.015 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588962869 962630869 /nfs/dbraw/zinc/63/08/69/962630869.db2.gz CEQIZGHRWRBGCY-OUAUKWLOSA-N -1 0 383.880 3.015 20 50 GGGDRM C#CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573303091 962670526 /nfs/dbraw/zinc/67/05/26/962670526.db2.gz UUZNGWIGNWXPLW-KZIRBZLESA-N -1 0 395.846 3.247 20 50 GGGDRM CC(C)c1noc(Cc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2)n1 ZINC001588981375 962734591 /nfs/dbraw/zinc/73/45/91/962734591.db2.gz LNBIRIHVLXUKLJ-UHFFFAOYSA-N -1 0 396.407 3.026 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c2C)cc1 ZINC001574193857 962858978 /nfs/dbraw/zinc/85/89/78/962858978.db2.gz HHOSYSFNRDFCPM-QGOAFFKASA-N -1 0 395.459 3.381 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC001600108452 970762382 /nfs/dbraw/zinc/76/23/82/970762382.db2.gz JPMKUOCLKMLQAS-UHFFFAOYSA-N -1 0 384.432 3.193 20 50 GGGDRM O=C([O-])c1cc(NC(=O)NNc2ccc(Cl)c(Br)c2)ccn1 ZINC001605815790 972546540 /nfs/dbraw/zinc/54/65/40/972546540.db2.gz VHXFUIVVKVYDCO-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC001605821012 972552059 /nfs/dbraw/zinc/55/20/59/972552059.db2.gz RAXKIYFRDGOTKW-UHFFFAOYSA-N -1 0 392.202 3.029 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC001605821240 972553239 /nfs/dbraw/zinc/55/32/39/972553239.db2.gz YSBHPDYIIQGCAF-UHFFFAOYSA-N -1 0 399.410 3.389 20 50 GGGDRM Cc1c(NC(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001605091747 972739102 /nfs/dbraw/zinc/73/91/02/972739102.db2.gz MOWSIIZJRNVRHK-UHFFFAOYSA-N -1 0 386.799 3.076 20 50 GGGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])ccc1NC(=O)c1cccs1 ZINC001605120999 972781979 /nfs/dbraw/zinc/78/19/79/972781979.db2.gz WWNNDOWNWGLZQY-UHFFFAOYSA-N -1 0 396.428 3.159 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 ZINC001605140952 972814953 /nfs/dbraw/zinc/81/49/53/972814953.db2.gz LXUWPPMTSXGWBP-UHFFFAOYSA-N -1 0 386.473 3.489 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605163761 972855904 /nfs/dbraw/zinc/85/59/04/972855904.db2.gz FUWPNDNZPGAHEU-ADFUCPMPSA-N -1 0 381.407 3.073 20 50 GGGDRM O=C([O-])[C@]1(C(=O)NNc2ccc(-c3ccc(Cl)s3)nn2)CC=CCC1 ZINC001605936000 972878332 /nfs/dbraw/zinc/87/83/32/972878332.db2.gz WMSOOAXLNRDTIO-MRXNPFEDSA-N -1 0 378.841 3.113 20 50 GGGDRM Cc1cc(NC(=O)NNC(=O)CCSc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001605202347 972941498 /nfs/dbraw/zinc/94/14/98/972941498.db2.gz QORPJIWBWYDMBP-UHFFFAOYSA-N -1 0 391.424 3.167 20 50 GGGDRM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001605233387 972990754 /nfs/dbraw/zinc/99/07/54/972990754.db2.gz XJPPUAIJEKJBII-UHFFFAOYSA-N -1 0 379.869 3.238 20 50 GGGDRM Cc1cccc(Br)c1NNC(=O)NCc1ccccc1C(=O)[O-] ZINC001605320416 973155057 /nfs/dbraw/zinc/15/50/57/973155057.db2.gz MCPYMBZVATVNSU-UHFFFAOYSA-N -1 0 378.226 3.282 20 50 GGGDRM CC[C@@H](C(=O)NNc1ncccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001603488388 973418005 /nfs/dbraw/zinc/41/80/05/973418005.db2.gz LSTBGLOBXURJCD-GFCCVEGCSA-N -1 0 378.226 3.179 20 50 GGGDRM N#Cc1ccc(Br)c(NNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001605597262 973897959 /nfs/dbraw/zinc/89/79/59/973897959.db2.gz JVSOSFLVMPYKEE-UHFFFAOYSA-N -1 0 393.172 3.307 20 50 GGGDRM O=C([O-])c1cc(NC(=O)[C@]2(c3ccccc3)C[C@@H]2Br)ccc1O ZINC001606464853 973923211 /nfs/dbraw/zinc/92/32/11/973923211.db2.gz ILCSUKUGCRAWOU-YOEHRIQHSA-N -1 0 376.206 3.134 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001603640410 973982081 /nfs/dbraw/zinc/98/20/81/973982081.db2.gz FWCDOGJHABYSNI-UHFFFAOYSA-N -1 0 384.432 3.419 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603641212 973989413 /nfs/dbraw/zinc/98/94/13/973989413.db2.gz WNFDHECDBDWTKX-SFHVURJKSA-N -1 0 390.480 3.298 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC001605676251 974088137 /nfs/dbraw/zinc/08/81/37/974088137.db2.gz TUNYNGJUPGVWNL-UHFFFAOYSA-N -1 0 384.219 3.389 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCSc1ccc(Br)cc1 ZINC001605682393 974099218 /nfs/dbraw/zinc/09/92/18/974099218.db2.gz XOPQQAZXOGFERS-UHFFFAOYSA-N -1 0 396.266 3.168 20 50 GGGDRM CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001591722959 975668913 /nfs/dbraw/zinc/66/89/13/975668913.db2.gz ZDNDWHCNTCJEJS-NTCAYCPXSA-N -1 0 382.416 3.483 20 50 GGGDRM CC(C)Oc1c(NC(=O)NN=c2[nH]c3ccncc3s2)cccc1C(=O)[O-] ZINC001591747418 975792041 /nfs/dbraw/zinc/79/20/41/975792041.db2.gz MWTNMSAYUBMXDI-UHFFFAOYSA-N -1 0 387.421 3.325 20 50 GGGDRM CC(C)Oc1c(NC(=O)NNC(=O)c2ccccc2Cl)cccc1C(=O)[O-] ZINC001591747424 975792270 /nfs/dbraw/zinc/79/22/70/975792270.db2.gz NAUFPMLZCSVSFP-UHFFFAOYSA-N -1 0 391.811 3.292 20 50 GGGDRM CC(C)Oc1c(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cccc1C(=O)[O-] ZINC001591747590 975794583 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GGGDRM CC(C)c1ccccc1OCCNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592003698 976664463 /nfs/dbraw/zinc/66/44/63/976664463.db2.gz GDESRYLDHCKODS-UHFFFAOYSA-N -1 0 375.400 3.352 20 50 GGGDRM CC(C)c1nn(C)c2sc(C(=O)NNc3cccc(C(=O)[O-])c3F)cc12 ZINC001592043752 976776076 /nfs/dbraw/zinc/77/60/76/976776076.db2.gz LVDVIZCDVBMKSR-UHFFFAOYSA-N -1 0 376.413 3.352 20 50 GGGDRM CC(C)n1cc(Br)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC001592122273 976933272 /nfs/dbraw/zinc/93/32/72/976933272.db2.gz GZXSSNFVZRXHFP-UHFFFAOYSA-N -1 0 398.169 3.052 20 50 GGGDRM CC(C)n1cc(Br)cc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592122578 976935784 /nfs/dbraw/zinc/93/57/84/976935784.db2.gz QFFOILQDYFIFBN-UHFFFAOYSA-N -1 0 384.205 3.426 20 50 GGGDRM CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)CCC2 ZINC001592131769 976969693 /nfs/dbraw/zinc/96/96/93/976969693.db2.gz XZMUORXGKVUWHP-HNNXBMFYSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NNc1ccccc1C(=O)[O-] ZINC001592158617 977039148 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Cc1cccc(O[C@H](C)C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1C ZINC000738736726 978598737 /nfs/dbraw/zinc/59/87/37/978598737.db2.gz TXRYXZGLUPSBSH-CQSZACIVSA-N -1 0 379.416 3.401 20 50 GGGDRM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1C ZINC000738736725 978598825 /nfs/dbraw/zinc/59/88/25/978598825.db2.gz TXRYXZGLUPSBSH-AWEZNQCLSA-N -1 0 379.416 3.401 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)NCCSCC(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756715 978600661 /nfs/dbraw/zinc/60/06/61/978600661.db2.gz PDHWGWPZFSQREW-WOJGMQOQSA-N -1 0 397.500 3.244 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738832680 978604286 /nfs/dbraw/zinc/60/42/86/978604286.db2.gz TWANTXDWFGRMCA-INIZCTEOSA-N -1 0 392.440 3.051 20 50 GGGDRM Cc1nc2c(cnn2C(C)C)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738872361 978606430 /nfs/dbraw/zinc/60/64/30/978606430.db2.gz RUIWEGAKUNJKAL-UHFFFAOYSA-N -1 0 384.348 3.146 20 50 GGGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)c1cc2c(s1)CCCCC2 ZINC000738922844 978609191 /nfs/dbraw/zinc/60/91/91/978609191.db2.gz MWLKNZKYISRXMK-UHFFFAOYSA-N -1 0 388.493 3.069 20 50 GGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738922505 978609217 /nfs/dbraw/zinc/60/92/17/978609217.db2.gz JTUSZOPDTNZEOM-UHFFFAOYSA-N -1 0 381.885 3.309 20 50 GGGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)c1ccc(Cl)cc1Cl ZINC000738922784 978609284 /nfs/dbraw/zinc/60/92/84/978609284.db2.gz LQJARNAZUGKSHV-UHFFFAOYSA-N -1 0 383.235 3.045 20 50 GGGDRM Cc1oc(-c2ccccc2)nc1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738957040 978610575 /nfs/dbraw/zinc/61/05/75/978610575.db2.gz RBFPETZARXIOCO-UHFFFAOYSA-N -1 0 382.328 3.405 20 50 GGGDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738957126 978610621 /nfs/dbraw/zinc/61/06/21/978610621.db2.gz HMDLIJTUOHRCLX-UHFFFAOYSA-N -1 0 381.300 3.076 20 50 GGGDRM Cn1cccc1C(=O)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739043506 978614466 /nfs/dbraw/zinc/61/44/66/978614466.db2.gz QOKMNJGLTSJMLI-UHFFFAOYSA-N -1 0 377.400 3.066 20 50 GGGDRM N#Cc1ccc([C@@H](NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C(=O)[O-])cc1 ZINC000739105401 978617587 /nfs/dbraw/zinc/61/75/87/978617587.db2.gz GTJRUPAETJPEMR-GOSISDBHSA-N -1 0 395.415 3.486 20 50 GGGDRM O=C([O-])c1ccc(CCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000739256318 978624869 /nfs/dbraw/zinc/62/48/69/978624869.db2.gz SRFNTPNGLPSHRJ-UHFFFAOYSA-N -1 0 384.476 3.071 20 50 GGGDRM O=C([O-])c1cc(OC(=O)CCc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000739258788 978625381 /nfs/dbraw/zinc/62/53/81/978625381.db2.gz APIWUYDYKJDKCJ-UHFFFAOYSA-N -1 0 381.344 3.017 20 50 GGGDRM O=C([O-])c1cc(OC(=O)CCc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000739260907 978626021 /nfs/dbraw/zinc/62/60/21/978626021.db2.gz OIGVVLVYTYYCJB-UHFFFAOYSA-N -1 0 381.287 3.433 20 50 GGGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)COc2ccccc2-c2ccccc2)c1 ZINC000739337338 978629659 /nfs/dbraw/zinc/62/96/59/978629659.db2.gz UFNMDVPHTSNGFU-UHFFFAOYSA-N -1 0 390.395 3.287 20 50 GGGDRM O=C([O-])c1cc(OC(=O)Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000739344604 978630646 /nfs/dbraw/zinc/63/06/46/978630646.db2.gz FGOUFSSXJCSYOP-UHFFFAOYSA-N -1 0 380.150 3.204 20 50 GGGDRM O=C([O-])c1cc(OC(=O)Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000739347269 978631424 /nfs/dbraw/zinc/63/14/24/978631424.db2.gz YJWYJOFCKNULEX-UHFFFAOYSA-N -1 0 380.150 3.204 20 50 GGGDRM O=C([O-])[C@H](NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1 ZINC000739453418 978637124 /nfs/dbraw/zinc/63/71/24/978637124.db2.gz HCLLLXFIVFZHAA-GOSISDBHSA-N -1 0 384.363 3.058 20 50 GGGDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1cccs1 ZINC000739634289 978647166 /nfs/dbraw/zinc/64/71/66/978647166.db2.gz LGSKMSHUKCFMQW-CQSZACIVSA-N -1 0 387.910 3.414 20 50 GGGDRM O=C([O-])CCCNC(=S)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000739682333 978649284 /nfs/dbraw/zinc/64/92/84/978649284.db2.gz WEYGUHFAUOSTRC-UHFFFAOYSA-N -1 0 399.687 3.012 20 50 GGGDRM O=C([O-])CCCOc1ccc(CNC(=O)NNc2c(F)cccc2F)cc1 ZINC000739686501 978649357 /nfs/dbraw/zinc/64/93/57/978649357.db2.gz QVTJYYXADIGYDP-UHFFFAOYSA-N -1 0 379.363 3.035 20 50 GGGDRM O=C([O-])COc1ccc(C(=O)NNc2ccc(Br)cc2Cl)cc1 ZINC000739824138 978655356 /nfs/dbraw/zinc/65/53/56/978655356.db2.gz JPBXVCBTXYHYTH-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM O=C([O-])Nc1ccc(CCNC(=O)NNC(=O)CCC2CCCCC2)cc1 ZINC000740022973 978663338 /nfs/dbraw/zinc/66/33/38/978663338.db2.gz IBDABTHPVIJPNN-UHFFFAOYSA-N -1 0 376.457 3.010 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1[N+](=O)[O-] ZINC000740087400 978666832 /nfs/dbraw/zinc/66/68/32/978666832.db2.gz LXOKTNLFKSPXFK-UHFFFAOYSA-N -1 0 393.355 3.187 20 50 GGGDRM O=C([O-])c1cc(OC(=O)[C@H]2COc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000740088057 978667194 /nfs/dbraw/zinc/66/71/94/978667194.db2.gz PGLJIMHWNJSPCJ-SNVBAGLBSA-N -1 0 377.736 3.103 20 50 GGGDRM O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(CCCCl)cc2)cc1 ZINC000740123332 978669934 /nfs/dbraw/zinc/66/99/34/978669934.db2.gz GLZACCIPAOYBGR-UHFFFAOYSA-N -1 0 381.881 3.077 20 50 GGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccc(Br)s3)c2c1 ZINC000740190720 978672214 /nfs/dbraw/zinc/67/22/14/978672214.db2.gz PMTMZKUCASXDNT-UHFFFAOYSA-N -1 0 392.234 3.454 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000740307081 978674427 /nfs/dbraw/zinc/67/44/27/978674427.db2.gz IMVFSBZVURNGRE-HNNXBMFYSA-N -1 0 387.344 3.070 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cc(F)ccc2Br)ccc1[N+](=O)[O-] ZINC000740308472 978675266 /nfs/dbraw/zinc/67/52/66/978675266.db2.gz UBLJUXDEKUWJIU-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1[N+](=O)[O-] ZINC000740308561 978675361 /nfs/dbraw/zinc/67/53/61/978675361.db2.gz WOSQDOMYCWHRSA-UHFFFAOYSA-N -1 0 396.311 3.358 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000740308009 978675413 /nfs/dbraw/zinc/67/54/13/978675413.db2.gz RJMVRDXJRAHPQS-UHFFFAOYSA-N -1 0 385.250 3.453 20 50 GGGDRM O=C([O-])c1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)[nH]1 ZINC000749812401 978689743 /nfs/dbraw/zinc/68/97/43/978689743.db2.gz NPMIFDYXTKUTEZ-UHFFFAOYSA-N -1 0 381.363 3.195 20 50 GGGDRM COc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c(C(=O)[O-])c1 ZINC000775467999 978747732 /nfs/dbraw/zinc/74/77/32/978747732.db2.gz RRZGNPULXLQRJN-UHFFFAOYSA-N -1 0 383.853 3.366 20 50 GGGDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000776636273 978763398 /nfs/dbraw/zinc/76/33/98/978763398.db2.gz YRFWCVSXBZARLD-PZSREKOKSA-N -1 0 382.254 3.351 20 50 GGGDRM COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000794685830 978814635 /nfs/dbraw/zinc/81/46/35/978814635.db2.gz KHGYQYUAZJNGHO-OJNRTJSBSA-N -1 0 396.399 3.101 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000794692969 978817012 /nfs/dbraw/zinc/81/70/12/978817012.db2.gz YPEMXESLAOSYJC-WZMONFQBSA-N -1 0 379.368 3.100 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)c2ccc(Br)s2)cc1)C(=O)[O-] ZINC000794883001 978825577 /nfs/dbraw/zinc/82/55/77/978825577.db2.gz VWPQRDOKCXCIGO-VIFPVBQESA-N -1 0 397.250 3.126 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000794886475 978825596 /nfs/dbraw/zinc/82/55/96/978825596.db2.gz KXPNLECJBXOUHR-OAHLLOKOSA-N -1 0 392.411 3.221 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794935812 978831028 /nfs/dbraw/zinc/83/10/28/978831028.db2.gz KIHRNWGJEQEEBQ-STQMWFEESA-N -1 0 390.823 3.110 20 50 GGGDRM O=C([O-])Cn1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000799867334 978841419 /nfs/dbraw/zinc/84/14/19/978841419.db2.gz IWPLFVNZMITCCU-UHFFFAOYSA-N -1 0 379.460 3.392 20 50 GGGDRM O=C([O-])c1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)c[nH]1 ZINC000814688377 978872403 /nfs/dbraw/zinc/87/24/03/978872403.db2.gz VCJAYYJPLWBLFQ-UHFFFAOYSA-N -1 0 384.219 3.329 20 50 GGGDRM N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000814725147 978876938 /nfs/dbraw/zinc/87/69/38/978876938.db2.gz RDEGCIANUMIJRW-UHFFFAOYSA-N -1 0 399.406 3.453 20 50 GGGDRM COc1cc(C(=O)NN=C(C)c2cc(C(=O)[O-])cs2)ccc1OC(C)C ZINC000814755795 978881242 /nfs/dbraw/zinc/88/12/42/978881242.db2.gz FVSBCOSNGPYOAU-UHFFFAOYSA-N -1 0 376.434 3.396 20 50 GGGDRM COc1ccc(Br)c(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814836008 978890976 /nfs/dbraw/zinc/89/09/76/978890976.db2.gz GQXDJZJDKMFAQQ-ZJUUUORDSA-N -1 0 383.242 3.064 20 50 GGGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814874407 978895385 /nfs/dbraw/zinc/89/53/85/978895385.db2.gz PLQKYGFLJQWUSV-CHWSQXEVSA-N -1 0 388.493 3.141 20 50 GGGDRM COc1cc(NC(=O)NN=Cc2ccccc2C(=O)[O-])c(OC)cc1Cl ZINC000814995971 978900403 /nfs/dbraw/zinc/90/04/03/978900403.db2.gz AARVWUOUSOBUEX-UHFFFAOYSA-N -1 0 377.784 3.211 20 50 GGGDRM COc1cc(NC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c(OC)cc1Cl ZINC000814997135 978900453 /nfs/dbraw/zinc/90/04/53/978900453.db2.gz VATHQMDOSXPSFI-NXEZZACHSA-N -1 0 383.832 3.356 20 50 GGGDRM O=C([O-])[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccc(F)cc1 ZINC000823357956 978938131 /nfs/dbraw/zinc/93/81/31/978938131.db2.gz HXEZDVUTSLBPER-FSLVRNTJSA-N -1 0 384.245 3.064 20 50 GGGDRM C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)COCc1ccccc1 ZINC001592676083 979093817 /nfs/dbraw/zinc/09/38/17/979093817.db2.gz KKRCHHUCDDIDTQ-ZDUSSCGKSA-N -1 0 375.400 3.003 20 50 GGGDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000833149179 979095797 /nfs/dbraw/zinc/09/57/97/979095797.db2.gz HHEAZAWHXOYCNW-KGLIPLIRSA-N -1 0 378.494 3.059 20 50 GGGDRM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)COCc1ccccc1 ZINC001592676654 979096772 /nfs/dbraw/zinc/09/67/72/979096772.db2.gz TZRFJMSVNCNTSN-ZDUSSCGKSA-N -1 0 375.400 3.003 20 50 GGGDRM CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]n2)c1C ZINC001595023018 979112371 /nfs/dbraw/zinc/11/23/71/979112371.db2.gz QDDMAIZDEAHYDL-LLVKDONJSA-N -1 0 396.451 3.316 20 50 GGGDRM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595027967 979146601 /nfs/dbraw/zinc/14/66/01/979146601.db2.gz AOOKLVVTOJLBRP-LBPRGKRZSA-N -1 0 381.436 3.474 20 50 GGGDRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C ZINC001595048637 979266672 /nfs/dbraw/zinc/26/66/72/979266672.db2.gz DISZFAYCUZYLCD-YQYFLZKSSA-N -1 0 389.496 3.369 20 50 GGGDRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C ZINC001595048638 979266744 /nfs/dbraw/zinc/26/67/44/979266744.db2.gz DISZFAYCUZYLCD-ZNBBLSJYSA-N -1 0 389.496 3.369 20 50 GGGDRM CC[C@@H](CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595134728 979569467 /nfs/dbraw/zinc/56/94/67/979569467.db2.gz BVBZOZITBWNMEC-GYKGCMEESA-N -1 0 395.459 3.237 20 50 GGGDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)Cc2ccccc21 ZINC000853025299 979593214 /nfs/dbraw/zinc/59/32/14/979593214.db2.gz XPQOTYVZIAZPSU-GOSISDBHSA-N -1 0 393.892 3.231 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC001595149191 979633199 /nfs/dbraw/zinc/63/31/99/979633199.db2.gz BDZJRDFNKFWWDT-INIZCTEOSA-N -1 0 391.855 3.451 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1ccccc1C ZINC001595150522 979641481 /nfs/dbraw/zinc/64/14/81/979641481.db2.gz VLKOBCCNQJXEPO-AWEZNQCLSA-N -1 0 375.400 3.316 20 50 GGGDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001595211040 979987396 /nfs/dbraw/zinc/98/73/96/979987396.db2.gz BVTZSYKWZRCKHC-CYBMUJFWSA-N -1 0 387.392 3.014 20 50 GGGDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595211076 979987908 /nfs/dbraw/zinc/98/79/08/979987908.db2.gz DGNHXJXTNCXIDP-GFCCVEGCSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@H](Cc1ccccc1Br)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001595213843 980010819 /nfs/dbraw/zinc/01/08/19/980010819.db2.gz ZJRJAMBKCWNWCH-LLVKDONJSA-N -1 0 392.253 3.254 20 50 GGGDRM CC[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC001595252548 980221058 /nfs/dbraw/zinc/22/10/58/980221058.db2.gz HKSGMGQLGNRMBL-OAHLLOKOSA-N -1 0 389.383 3.073 20 50 GGGDRM CC[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC001595252547 980221144 /nfs/dbraw/zinc/22/11/44/980221144.db2.gz HKSGMGQLGNRMBL-HNNXBMFYSA-N -1 0 389.383 3.073 20 50 GGGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1cccc(OC)c1OC ZINC001595253504 980231776 /nfs/dbraw/zinc/23/17/76/980231776.db2.gz ZQXHDDGYUOJGBL-OAHLLOKOSA-N -1 0 387.436 3.488 20 50 GGGDRM CC[C@@H](Nc1ccccc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595318548 980501634 /nfs/dbraw/zinc/50/16/34/980501634.db2.gz OEJIHSUSDWBZSS-CQSZACIVSA-N -1 0 392.253 3.481 20 50 GGGDRM CC[C@H](Nc1ccccc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595318546 980501714 /nfs/dbraw/zinc/50/17/14/980501714.db2.gz OEJIHSUSDWBZSS-AWEZNQCLSA-N -1 0 392.253 3.481 20 50 GGGDRM CC[C@@]1(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001595366948 980816818 /nfs/dbraw/zinc/81/68/18/980816818.db2.gz RYXVZJHGGSCTQR-HXUWFJFHSA-N -1 0 391.468 3.174 20 50 GGGDRM CC[C@@]1(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)OCCc2ccccc21 ZINC001595378550 980914276 /nfs/dbraw/zinc/91/42/76/980914276.db2.gz FRDRHHDUVSEAHW-FQEVSTJZSA-N -1 0 387.411 3.028 20 50 GGGDRM CC[C@]1(CNC(=O)NNc2cccc(C(=O)[O-])c2F)OCCc2ccccc21 ZINC001595378746 980915527 /nfs/dbraw/zinc/91/55/27/980915527.db2.gz LFWRSNZLWZLTEH-HXUWFJFHSA-N -1 0 387.411 3.028 20 50 GGGDRM CC[C@H]1[C@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC001595404911 980983637 /nfs/dbraw/zinc/98/36/37/980983637.db2.gz MJOTYFPTVBCMGH-HIFRSBDPSA-N -1 0 395.431 3.003 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908175199 981278978 /nfs/dbraw/zinc/27/89/78/981278978.db2.gz SCLALWXFKPSTRD-FMCALUSXSA-N -1 0 378.332 3.041 20 50 GGGDRM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595547153 981417821 /nfs/dbraw/zinc/41/78/21/981417821.db2.gz OQDSNVKVUBFGIN-IBGZPJMESA-N -1 0 379.457 3.220 20 50 GGGDRM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595547555 981420750 /nfs/dbraw/zinc/42/07/50/981420750.db2.gz UIEGLJGHUDVNQL-SFHVURJKSA-N -1 0 383.420 3.051 20 50 GGGDRM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595635909 981910070 /nfs/dbraw/zinc/91/00/70/981910070.db2.gz PBVBVJKISITCTD-OAHLLOKOSA-N -1 0 379.457 3.220 20 50 GGGDRM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595635908 981910356 /nfs/dbraw/zinc/91/03/56/981910356.db2.gz PBVBVJKISITCTD-HNNXBMFYSA-N -1 0 379.457 3.220 20 50 GGGDRM CC[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001594866011 982172951 /nfs/dbraw/zinc/17/29/51/982172951.db2.gz IWUOJLILLHNAQT-CYBMUJFWSA-N -1 0 385.420 3.163 20 50 GGGDRM CCCCCn1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c(C)n1 ZINC001595727096 982350056 /nfs/dbraw/zinc/35/00/56/982350056.db2.gz GFRTUDNIJYXSCU-UHFFFAOYSA-N -1 0 377.420 3.045 20 50 GGGDRM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594941860 982615659 /nfs/dbraw/zinc/61/56/59/982615659.db2.gz DZCDIMRMFCQGRP-XHDPSFHLSA-N -1 0 397.447 3.297 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)[O-])n2)c1C ZINC001595803519 982624788 /nfs/dbraw/zinc/62/47/88/982624788.db2.gz UFCWOOLDESTRNX-BOPFTXTBSA-N -1 0 380.448 3.473 20 50 GGGDRM CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001594944142 982625704 /nfs/dbraw/zinc/62/57/04/982625704.db2.gz BXIBJPRNPFPPFC-SWLSCSKDSA-N -1 0 379.457 3.157 20 50 GGGDRM CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594945190 982631472 /nfs/dbraw/zinc/63/14/72/982631472.db2.gz OPHPVBKDYRORET-NHYWBVRUSA-N -1 0 397.447 3.297 20 50 GGGDRM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594945188 982631539 /nfs/dbraw/zinc/63/15/39/982631539.db2.gz OPHPVBKDYRORET-ABAIWWIYSA-N -1 0 397.447 3.297 20 50 GGGDRM COc1cc(/C=C(/C#N)C(=O)[O-])ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000915841538 982668421 /nfs/dbraw/zinc/66/84/21/982668421.db2.gz HHVGPSXLFFEPCK-DHDCSXOGSA-N -1 0 387.413 3.071 20 50 GGGDRM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595823072 982696923 /nfs/dbraw/zinc/69/69/23/982696923.db2.gz RHYZUOABVMOBHQ-ZDUSSCGKSA-N -1 0 379.457 3.172 20 50 GGGDRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001594992562 982864497 /nfs/dbraw/zinc/86/44/97/982864497.db2.gz ZGUNYSJZBBOCSL-GFCCVEGCSA-N -1 0 384.436 3.370 20 50 GGGDRM CC[C@H](C)Oc1ccc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001594999210 982905774 /nfs/dbraw/zinc/90/57/74/982905774.db2.gz BGZIJHJTCPWGOE-LBPRGKRZSA-N -1 0 377.466 3.071 20 50 GGGDRM O=C([O-])c1ccc(COc2ccc(C=NNC(=O)c3ccncc3)cc2)cc1 ZINC001084197624 982921817 /nfs/dbraw/zinc/92/18/17/982921817.db2.gz HCFNRGSTCKULCU-UHFFFAOYSA-N -1 0 375.384 3.123 20 50 GGGDRM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1=O ZINC001595014523 982952590 /nfs/dbraw/zinc/95/25/90/982952590.db2.gz VCOVYAPITKMRNS-GOEBONIOSA-N -1 0 395.459 3.395 20 50 GGGDRM CC[C@H](C)c1nc(C)c(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)n1 ZINC001595015236 982960651 /nfs/dbraw/zinc/96/06/51/982960651.db2.gz GZMBBUHUTHFOTR-JTQLQIEISA-N -1 0 387.392 3.361 20 50 GGGDRM CCCOc1ccc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC001595957024 983147008 /nfs/dbraw/zinc/14/70/08/983147008.db2.gz SFUKKRDBAGYIDW-UHFFFAOYSA-N -1 0 375.400 3.447 20 50 GGGDRM CCCOc1cccc(CCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001595969218 983188882 /nfs/dbraw/zinc/18/88/82/983188882.db2.gz MQUCZLBBQNWHMZ-UHFFFAOYSA-N -1 0 375.400 3.182 20 50 GGGDRM CCCOc1nc2ccccc2cc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595975454 983210791 /nfs/dbraw/zinc/21/07/91/983210791.db2.gz ZZVQHEIWKDOQGD-UHFFFAOYSA-N -1 0 379.416 3.408 20 50 GGGDRM CCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595987570 983239493 /nfs/dbraw/zinc/23/94/93/983239493.db2.gz KQBMPFIMNQUAPL-KEWOFRHOSA-N -1 0 395.459 3.379 20 50 GGGDRM CCCc1ccc(N2C[C@H](C(=O)NNc3ccc(C)c(C(=O)[O-])c3)CC2=O)cc1 ZINC001596065288 983379975 /nfs/dbraw/zinc/37/99/75/983379975.db2.gz WJKWNHTYAWINQU-MRXNPFEDSA-N -1 0 395.459 3.142 20 50 GGGDRM CCCc1noc2nc(CC)cc(C(=O)NNc3cccc(C(=O)[O-])c3F)c12 ZINC001596101622 983426223 /nfs/dbraw/zinc/42/62/23/983426223.db2.gz RNJUFMLJTIANJE-UHFFFAOYSA-N -1 0 386.383 3.332 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1C ZINC001596107648 983432033 /nfs/dbraw/zinc/43/20/33/983432033.db2.gz HTQCFWZZOLVNAE-JMOSNPTESA-N -1 0 394.475 3.323 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1C ZINC001596107651 983432181 /nfs/dbraw/zinc/43/21/81/983432181.db2.gz HTQCFWZZOLVNAE-YGYUYSJASA-N -1 0 394.475 3.323 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC001596108219 983433339 /nfs/dbraw/zinc/43/33/39/983433339.db2.gz SSTWIZGRSZQERO-AZZDOICSSA-N -1 0 386.477 3.454 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001596108943 983437105 /nfs/dbraw/zinc/43/71/05/983437105.db2.gz XSJRCSUADLLSNC-OQLLNIDSSA-N -1 0 384.411 3.403 20 50 GGGDRM C=C(CNC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccccc1 ZINC001588637837 983761689 /nfs/dbraw/zinc/76/16/89/983761689.db2.gz WYKOAGXLYHSMML-UHFFFAOYSA-N -1 0 390.237 3.487 20 50 GGGDRM CCN1C(=O)C[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2C)[C@@H]1c1cccc(C)c1 ZINC001596389702 983921856 /nfs/dbraw/zinc/92/18/56/983921856.db2.gz LRLPYUGVQJNQRG-XLIONFOSSA-N -1 0 395.459 3.054 20 50 GGGDRM CCN1C(=O)C[C@H](C(=O)NNc2ccc(C)c(C(=O)[O-])c2)[C@H]1c1cccc(C)c1 ZINC001596390701 983924922 /nfs/dbraw/zinc/92/49/22/983924922.db2.gz ZGRFOGRSPAFYJH-AZUAARDMSA-N -1 0 395.459 3.054 20 50 GGGDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588794117 984224874 /nfs/dbraw/zinc/22/48/74/984224874.db2.gz LSCBTSFMCKVGRX-OAHLLOKOSA-N -1 0 395.431 3.217 20 50 GGGDRM C=CCOc1cc(OC)ccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588869810 984441541 /nfs/dbraw/zinc/44/15/41/984441541.db2.gz ZVANKIRUWVGEQR-UHFFFAOYSA-N -1 0 376.796 3.369 20 50 GGGDRM C=CCOc1ccc(/C=C\C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001588875103 984451005 /nfs/dbraw/zinc/45/10/05/984451005.db2.gz VZICASCNWQOSJF-UITAMQMPSA-N -1 0 386.379 3.254 20 50 GGGDRM C=CCOc1ccccc1C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588877441 984453424 /nfs/dbraw/zinc/45/34/24/984453424.db2.gz PLGBIQRIGAOQRF-UHFFFAOYSA-N -1 0 391.221 3.469 20 50 GGGDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588878925 984456211 /nfs/dbraw/zinc/45/62/11/984456211.db2.gz OHHHLMYEMRFHLP-UHFFFAOYSA-N -1 0 396.378 3.031 20 50 GGGDRM CCOC(=O)/C=C/c1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596587410 984520511 /nfs/dbraw/zinc/52/05/11/984520511.db2.gz USHJSHZSUSMBNJ-BJMVGYQFSA-N -1 0 387.367 3.249 20 50 GGGDRM C/C(=C/c1ccc(Br)o1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001588995999 984931113 /nfs/dbraw/zinc/93/11/13/984931113.db2.gz YTOXJTIFRLDTPV-FPLPWBNLSA-N -1 0 383.173 3.426 20 50 GGGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)[O-])c(CC)o2)cc1 ZINC001596724007 984974263 /nfs/dbraw/zinc/97/42/63/984974263.db2.gz WGTDTCDSNJJZKL-UKTHLTGXSA-N -1 0 382.372 3.263 20 50 GGGDRM CC(=NNC(=O)COc1ccc(Br)cc1)c1cc(C(=O)[O-])cs1 ZINC001589010937 984984774 /nfs/dbraw/zinc/98/47/74/984984774.db2.gz LGUHBVFFZDRDPE-UHFFFAOYSA-N -1 0 397.250 3.128 20 50 GGGDRM CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589012520 984992558 /nfs/dbraw/zinc/99/25/58/984992558.db2.gz QATXPVZZNLGWSU-UHFFFAOYSA-N -1 0 376.412 3.386 20 50 GGGDRM CCO[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C12CCCCC2 ZINC001596820878 985414784 /nfs/dbraw/zinc/41/47/84/985414784.db2.gz BXKUNPGGMJYKAJ-GJZGRUSLSA-N -1 0 379.432 3.278 20 50 GGGDRM CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C12CCCCC2 ZINC001596821981 985418013 /nfs/dbraw/zinc/41/80/13/985418013.db2.gz HSPRLKLKXLIRKP-SJORKVTESA-N -1 0 375.469 3.068 20 50 GGGDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001589204035 985655586 /nfs/dbraw/zinc/65/55/86/985655586.db2.gz FBYSHPBLJWAPCO-GFCCVEGCSA-N -1 0 387.461 3.276 20 50 GGGDRM Cc1[nH]c(C(=O)NNc2ccc(-c3ccc(Cl)s3)nn2)c(C)c1C(=O)[O-] ZINC001599954025 985656129 /nfs/dbraw/zinc/65/61/29/985656129.db2.gz RYUYMKYNCMGJOZ-UHFFFAOYSA-N -1 0 391.840 3.259 20 50 GGGDRM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599966440 985915440 /nfs/dbraw/zinc/91/54/40/985915440.db2.gz QVSWZVOXVWHVET-UHFFFAOYSA-N -1 0 384.411 3.491 20 50 GGGDRM Cc1c(Br)ccc(F)c1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599971029 986006460 /nfs/dbraw/zinc/00/64/60/986006460.db2.gz IAERFCZNSFYWGA-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM Cc1c(Br)cccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599972548 986032590 /nfs/dbraw/zinc/03/25/90/986032590.db2.gz OSKZXRPQJUSQDQ-UHFFFAOYSA-N -1 0 378.226 3.282 20 50 GGGDRM CC(=O)c1cccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c1 ZINC001589305247 986069786 /nfs/dbraw/zinc/06/97/86/986069786.db2.gz JOBDKKWUCHJDBV-UHFFFAOYSA-N -1 0 377.194 3.107 20 50 GGGDRM CCOCc1nc(Cl)cc(NNC(=O)Nc2ccc(C(=O)[O-])cc2CC)n1 ZINC001596952668 986125344 /nfs/dbraw/zinc/12/53/44/986125344.db2.gz VOVXDOBDARTFCX-UHFFFAOYSA-N -1 0 393.831 3.076 20 50 GGGDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589323686 986148821 /nfs/dbraw/zinc/14/88/21/986148821.db2.gz KHEAIKHWYUNYKH-UHFFFAOYSA-N -1 0 384.363 3.467 20 50 GGGDRM C/C(C#N)=C\CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1Cc1ccco1 ZINC001589324252 986155494 /nfs/dbraw/zinc/15/54/94/986155494.db2.gz ZMTOYWCZDSALNI-WUXMJOGZSA-N -1 0 381.413 3.298 20 50 GGGDRM Cc1c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC001599981794 986174117 /nfs/dbraw/zinc/17/41/17/986174117.db2.gz CXUIIQLGVNICIR-UHFFFAOYSA-N -1 0 388.786 3.428 20 50 GGGDRM Cc1c(C(=O)NNc2cccc(C(=O)[O-])c2F)cnn1-c1ccccc1Cl ZINC001599982165 986179017 /nfs/dbraw/zinc/17/90/17/986179017.db2.gz LOKUYDRYXVBZLS-UHFFFAOYSA-N -1 0 388.786 3.428 20 50 GGGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)[C@@H](CC)c1ccccc1 ZINC001597021295 986409982 /nfs/dbraw/zinc/40/99/82/986409982.db2.gz WWMHOPDJHQERCP-HNNXBMFYSA-N -1 0 385.420 3.130 20 50 GGGDRM CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033403 986462716 /nfs/dbraw/zinc/46/27/16/986462716.db2.gz UCMVELHYXRHVER-DHDCSXOGSA-N -1 0 398.415 3.387 20 50 GGGDRM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1ccccc1C(=O)[O-])O[C@H](C)C2 ZINC001597044461 986504246 /nfs/dbraw/zinc/50/42/46/986504246.db2.gz JIBBZJVLZYTILR-PVUWLOKVSA-N -1 0 396.443 3.354 20 50 GGGDRM CCOc1cc2c(cc1/C=C\C(=O)NNc1ccccc1C(=O)[O-])O[C@H](C)C2 ZINC001597048953 986514578 /nfs/dbraw/zinc/51/45/78/986514578.db2.gz PWRDGKGUOVRDNM-LJTDUEICSA-N -1 0 382.416 3.263 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(=O)[O-])c2C)cc1 ZINC001597049850 986525843 /nfs/dbraw/zinc/52/58/43/986525843.db2.gz JFPJPSGCAMWRKV-LDADJPATSA-N -1 0 395.459 3.333 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CC[C@H]3C(=O)[O-])c2C)cc1 ZINC001597050187 986528709 /nfs/dbraw/zinc/52/87/09/986528709.db2.gz WYEYKVXBTGGWME-KZFLWGQDSA-N -1 0 393.443 3.085 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001597081185 986622420 /nfs/dbraw/zinc/62/24/20/986622420.db2.gz CHGCNBSEHFGJMM-UKTHLTGXSA-N -1 0 385.807 3.055 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597081305 986623713 /nfs/dbraw/zinc/62/37/13/986623713.db2.gz HEGQNOADBAQWJC-VBKFSLOCSA-N -1 0 380.400 3.119 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597082013 986629788 /nfs/dbraw/zinc/62/97/88/986629788.db2.gz UMVCQGWINXNCEA-BRFSQIRFSA-N -1 0 394.427 3.333 20 50 GGGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC001589424408 986691550 /nfs/dbraw/zinc/69/15/50/986691550.db2.gz VMTQOXQNLKBQFA-PSLIRLAXSA-N -1 0 380.853 3.493 20 50 GGGDRM CCOc1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c2ncccc12 ZINC001597120227 986808479 /nfs/dbraw/zinc/80/84/79/986808479.db2.gz BMXQNXPSMJOZHY-UHFFFAOYSA-N -1 0 380.404 3.409 20 50 GGGDRM CCOc1ccccc1-c1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)[nH]n1 ZINC001597168063 986995032 /nfs/dbraw/zinc/99/50/32/986995032.db2.gz WFXAXEJLNVSPCU-UHFFFAOYSA-N -1 0 384.367 3.070 20 50 GGGDRM CCC(=O)N1CCc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3C)cc21 ZINC001594705186 987145948 /nfs/dbraw/zinc/14/59/48/987145948.db2.gz AAFLFDMPPJDELO-UHFFFAOYSA-N -1 0 382.420 3.141 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001594737185 987279532 /nfs/dbraw/zinc/27/95/32/987279532.db2.gz RJTAVRCKWKXGIE-GFCCVEGCSA-N -1 0 377.347 3.010 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001594737186 987279697 /nfs/dbraw/zinc/27/96/97/987279697.db2.gz RJTAVRCKWKXGIE-LBPRGKRZSA-N -1 0 377.347 3.010 20 50 GGGDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001597273745 987330830 /nfs/dbraw/zinc/33/08/30/987330830.db2.gz ZZCYFOMLRIYCAM-UHFFFAOYSA-N -1 0 391.405 3.171 20 50 GGGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC001589598877 987420308 /nfs/dbraw/zinc/42/03/08/987420308.db2.gz PDQOALXUGBOEQI-OAHLLOKOSA-N -1 0 390.371 3.212 20 50 GGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC001589637822 987557706 /nfs/dbraw/zinc/55/77/06/987557706.db2.gz NMQZUEREPMYBRQ-UHFFFAOYSA-N -1 0 389.839 3.098 20 50 GGGDRM CCc1c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC001597407012 987690437 /nfs/dbraw/zinc/69/04/37/987690437.db2.gz HGDVMTMZNPJAOD-UHFFFAOYSA-N -1 0 386.358 3.168 20 50 GGGDRM CCc1c(C(=O)NNc2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1OC ZINC001597410721 987695504 /nfs/dbraw/zinc/69/55/04/987695504.db2.gz FMDWAGHGSIDQDQ-UHFFFAOYSA-N -1 0 394.431 3.207 20 50 GGGDRM CCc1c(C(=O)NNc2cccc(F)c2C(=O)[O-])cnn1-c1ccccc1C ZINC001597410861 987696690 /nfs/dbraw/zinc/69/66/90/987696690.db2.gz NPEKWNKQNGGBRV-UHFFFAOYSA-N -1 0 382.395 3.337 20 50 GGGDRM CCc1c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cnn1-c1ccccc1OC ZINC001597410947 987696769 /nfs/dbraw/zinc/69/67/69/987696769.db2.gz PREXFWUTPLGZIK-UHFFFAOYSA-N -1 0 398.394 3.038 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001597423850 987746232 /nfs/dbraw/zinc/74/62/32/987746232.db2.gz ICYCTECAZSENJR-MFKMUULPSA-N -1 0 384.274 3.281 20 50 GGGDRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001589694068 987773277 /nfs/dbraw/zinc/77/32/77/987773277.db2.gz SYYOCFKEOATGPQ-UHFFFAOYSA-N -1 0 391.374 3.405 20 50 GGGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNc1cccc2c1OC(F)(F)O2 ZINC001597465577 987906811 /nfs/dbraw/zinc/90/68/11/987906811.db2.gz WORJZEVGNNRDOW-UHFFFAOYSA-N -1 0 379.319 3.417 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCCCC(=O)[O-])cc2C1 ZINC001589734234 987978305 /nfs/dbraw/zinc/97/83/05/987978305.db2.gz FOCIERJOQNLWKS-ZDUSSCGKSA-N -1 0 380.510 3.305 20 50 GGGDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NN=Cc3cc(C(=O)[O-])no3)cc2C1 ZINC001589734483 987979133 /nfs/dbraw/zinc/97/91/33/987979133.db2.gz HGEKZFHBURNLAY-LLVKDONJSA-N -1 0 375.450 3.349 20 50 GGGDRM CCc1cc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC001597486717 987990090 /nfs/dbraw/zinc/99/00/90/987990090.db2.gz AWFBVDZKTYTOEH-UHFFFAOYSA-N -1 0 379.752 3.493 20 50 GGGDRM CCc1ccc(C(=O)NNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001597501132 988064497 /nfs/dbraw/zinc/06/44/97/988064497.db2.gz UCFIYZUWGUFNPG-UHFFFAOYSA-N -1 0 379.775 3.206 20 50 GGGDRM CC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001589829612 988296784 /nfs/dbraw/zinc/29/67/84/988296784.db2.gz GYBXVRZVGXTYDB-UHFFFAOYSA-N -1 0 388.399 3.201 20 50 GGGDRM CSc1cc2c(cc1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)OCCO2 ZINC001599809544 988309868 /nfs/dbraw/zinc/30/98/68/988309868.db2.gz JSOCNLZYXUWMJI-UHFFFAOYSA-N -1 0 393.396 3.166 20 50 GGGDRM CC(C)(C)OC(=O)[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCC1 ZINC001589843312 988342477 /nfs/dbraw/zinc/34/24/77/988342477.db2.gz QEWOIOSNDHGOQR-OAHLLOKOSA-N -1 0 380.416 3.115 20 50 GGGDRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CC12CC(C(=O)[O-])C2 ZINC001589861512 988441609 /nfs/dbraw/zinc/44/16/09/988441609.db2.gz JAPPKEQNTQTHFR-XACAWQSSSA-N -1 0 399.915 3.065 20 50 GGGDRM CSc1ccc(NC(=O)NN=c2[nH]c3cccnc3s2)cc1C(=O)[O-] ZINC001599819380 988485515 /nfs/dbraw/zinc/48/55/15/988485515.db2.gz PNKPWLKYLKLHNA-UHFFFAOYSA-N -1 0 375.435 3.260 20 50 GGGDRM CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NNc2cccc(C(=O)[O-])c2)CCC1 ZINC001589900111 988600468 /nfs/dbraw/zinc/60/04/68/988600468.db2.gz HKJRADDEGWREKX-UHFFFAOYSA-N -1 0 389.452 3.150 20 50 GGGDRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001589901338 988609004 /nfs/dbraw/zinc/60/90/04/988609004.db2.gz KRMAYPPQZOUBPN-UHFFFAOYSA-N -1 0 399.447 3.347 20 50 GGGDRM CC(C)(C)OC(=O)N(CCC(=O)NNc1ccc(F)c(C(=O)[O-])c1)CC1CC1 ZINC001589905739 988617672 /nfs/dbraw/zinc/61/76/72/988617672.db2.gz OGVUQOAQEVCPNH-UHFFFAOYSA-N -1 0 395.431 3.004 20 50 GGGDRM CSc1nc(C2CC2)cc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC001599827646 988622341 /nfs/dbraw/zinc/62/23/41/988622341.db2.gz HDIACPBXCGRMFB-UHFFFAOYSA-N -1 0 386.408 3.147 20 50 GGGDRM CCc1csc(NC(=O)NNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001597638725 988627183 /nfs/dbraw/zinc/62/71/83/988627183.db2.gz UXHUYSPKESBPAH-UHFFFAOYSA-N -1 0 385.243 3.315 20 50 GGGDRM CC(C)(C)OC(=O)N1[C@@H](C(=O)NNc2ccccc2C(=O)[O-])CC[C@H]1C1CC1 ZINC001589907647 988627490 /nfs/dbraw/zinc/62/74/90/988627490.db2.gz LVZHKSVSIYGAOP-JKSUJKDBSA-N -1 0 389.452 3.006 20 50 GGGDRM CSc1ncc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)n1-c1ccccc1 ZINC001599829167 988642985 /nfs/dbraw/zinc/64/29/85/988642985.db2.gz NCZYHQHWBMIVPV-UHFFFAOYSA-N -1 0 386.408 3.188 20 50 GGGDRM CSc1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2F)n1-c1ccccc1 ZINC001599829430 988647447 /nfs/dbraw/zinc/64/74/47/988647447.db2.gz ULJGXAPSQBVCJT-UHFFFAOYSA-N -1 0 386.408 3.188 20 50 GGGDRM CSc1nccn1-c1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599829696 988652186 /nfs/dbraw/zinc/65/21/86/988652186.db2.gz HLJPKDYFKVIKRG-UHFFFAOYSA-N -1 0 386.408 3.188 20 50 GGGDRM CC(C)(C)OC(=O)N1C[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001589920785 988656570 /nfs/dbraw/zinc/65/65/70/988656570.db2.gz ORCUVFTWLDBCQN-INIZCTEOSA-N -1 0 397.431 3.367 20 50 GGGDRM CCc1nc2ccc(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)cc2nc1CC ZINC001597690293 988866734 /nfs/dbraw/zinc/86/67/34/988866734.db2.gz FGSWDDHAMPULHS-UHFFFAOYSA-N -1 0 382.395 3.349 20 50 GGGDRM CCc1nc2ccc(Cl)cn2c1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597691959 988890177 /nfs/dbraw/zinc/89/01/77/988890177.db2.gz WPSGNHSGCAWTAC-UHFFFAOYSA-N -1 0 376.775 3.144 20 50 GGGDRM CCc1nc2ccc(Cl)cn2c1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597692111 988891756 /nfs/dbraw/zinc/89/17/56/988891756.db2.gz ZNSLHILCRLGYGY-UHFFFAOYSA-N -1 0 376.775 3.144 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NNc2ccccc2C(=O)[O-])C1 ZINC001590011616 988963744 /nfs/dbraw/zinc/96/37/44/988963744.db2.gz FFFJMEONACPROX-AWEZNQCLSA-N -1 0 391.468 3.255 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001590030434 989029832 /nfs/dbraw/zinc/02/98/32/989029832.db2.gz CHPGOOXUQVEJSK-HNNXBMFYSA-N -1 0 377.441 3.008 20 50 GGGDRM CCc1oc(C=NNC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C(=O)[O-] ZINC001597792707 989334499 /nfs/dbraw/zinc/33/44/99/989334499.db2.gz GGVLXDXYDSDVOO-UHFFFAOYSA-N -1 0 395.799 3.366 20 50 GGGDRM CCc1oc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC001597793229 989343082 /nfs/dbraw/zinc/34/30/82/989343082.db2.gz WYRHHKCXSXTCDH-UHFFFAOYSA-N -1 0 385.203 3.376 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590146628 989420418 /nfs/dbraw/zinc/42/04/18/989420418.db2.gz BYABDMZIBCXPHG-WCQYABFASA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590248550 989640466 /nfs/dbraw/zinc/64/04/66/989640466.db2.gz FRCOSXGZIQJUIV-GXTWGEPZSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NNc2cccc(F)c2C(=O)[O-])C1 ZINC001590257661 989652291 /nfs/dbraw/zinc/65/22/91/989652291.db2.gz YHRCQSJKQMYYDK-VXGBXAGGSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NNc2cccc(C(=O)[O-])c2F)C1 ZINC001590264276 989658351 /nfs/dbraw/zinc/65/83/51/989658351.db2.gz QKGJIBRLHIBXDJ-NWDGAFQWSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)nc1 ZINC001590305497 989735838 /nfs/dbraw/zinc/73/58/38/989735838.db2.gz IHIWJDDPOGIJCD-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NNc2ccc(C(=O)[O-])cc2F)s1 ZINC001590319346 989754819 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20 50 GGGDRM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593612899 995817361 /nfs/dbraw/zinc/81/73/61/995817361.db2.gz BEWZNOMBBFGOTE-VIFPVBQESA-N -1 0 386.301 3.453 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593634795 995928422 /nfs/dbraw/zinc/92/84/22/995928422.db2.gz AXIUVDUYEQRYQK-VBKZILBWSA-N -1 0 396.418 3.063 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593634797 995928568 /nfs/dbraw/zinc/92/85/68/995928568.db2.gz AXIUVDUYEQRYQK-XOBRGWDASA-N -1 0 396.418 3.063 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593635139 995930881 /nfs/dbraw/zinc/93/08/81/995930881.db2.gz NXQSXVUTQHTLGV-VIFPVBQESA-N -1 0 397.200 3.197 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001593635144 995931448 /nfs/dbraw/zinc/93/14/48/995931448.db2.gz NZIOAXGLAPNJOE-VIFPVBQESA-N -1 0 397.200 3.197 20 50 GGGDRM CC(C)c1cccc(O[C@H](C)C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)c1 ZINC001593636761 995937883 /nfs/dbraw/zinc/93/78/83/995937883.db2.gz SATNTUKXAGSRSK-CYBMUJFWSA-N -1 0 391.493 3.171 20 50 GGGDRM C[C@@H](Oc1ccccc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593640286 995944338 /nfs/dbraw/zinc/94/43/38/995944338.db2.gz BRJUBIBZRNPQST-SNVBAGLBSA-N -1 0 379.210 3.058 20 50 GGGDRM C[C@@H](Oc1ccccc1Br)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001593641397 995951604 /nfs/dbraw/zinc/95/16/04/995951604.db2.gz IYIMWYBJKGELJV-SECBINFHSA-N -1 0 397.200 3.197 20 50 GGGDRM C[C@@H](Oc1ccccc1F)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593651341 996011121 /nfs/dbraw/zinc/01/11/21/996011121.db2.gz KUSIYOMZPTWKFI-SECBINFHSA-N -1 0 397.200 3.197 20 50 GGGDRM C[C@H](Oc1ccccc1F)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593651342 996011189 /nfs/dbraw/zinc/01/11/89/996011189.db2.gz KUSIYOMZPTWKFI-VIFPVBQESA-N -1 0 397.200 3.197 20 50 GGGDRM COC(=O)C1CCC(NC(=O)CCCC[C@H]2CCSS2)(C(=O)[O-])CC1 ZINC001598784617 996018366 /nfs/dbraw/zinc/01/83/66/996018366.db2.gz LMJXUHVWQXDUDB-JZLYGMAVSA-N -1 0 389.539 3.003 20 50 GGGDRM C[C@@H](Sc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC001593672190 996074170 /nfs/dbraw/zinc/07/41/70/996074170.db2.gz KBPFLRVMOQBMTJ-CYBMUJFWSA-N -1 0 394.452 3.480 20 50 GGGDRM C[C@H](Sc1ccccn1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593679041 996097391 /nfs/dbraw/zinc/09/73/91/996097391.db2.gz DYDXKSDYBIJEQR-VIFPVBQESA-N -1 0 396.266 3.166 20 50 GGGDRM C[C@H](c1ccccc1)n1cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001593712988 996217604 /nfs/dbraw/zinc/21/76/04/996217604.db2.gz AOMQGCBQMSSSOZ-GFCCVEGCSA-N -1 0 383.383 3.478 20 50 GGGDRM C[C@@H](c1ccccc1)n1cc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001593714488 996230703 /nfs/dbraw/zinc/23/07/03/996230703.db2.gz XJSOPKQJCKYEMN-LBPRGKRZSA-N -1 0 383.383 3.478 20 50 GGGDRM C[C@]1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C[C@@H]1Br ZINC001593760186 996418328 /nfs/dbraw/zinc/41/83/28/996418328.db2.gz SXSRYLMHNWPLGC-CABZTGNLSA-N -1 0 377.032 3.259 20 50 GGGDRM COc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c(OCC(C)C)c1 ZINC001599483582 996806921 /nfs/dbraw/zinc/80/69/21/996806921.db2.gz DNOOMZCWXXXVAB-UHFFFAOYSA-N -1 0 388.420 3.194 20 50 GGGDRM COc1ccc(C(=O)NN=C2CCC(CC(=O)[O-])CC2)cc1Br ZINC001599484940 996832026 /nfs/dbraw/zinc/83/20/26/996832026.db2.gz KTHARISREMNFDR-UHFFFAOYSA-N -1 0 383.242 3.208 20 50 GGGDRM COC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC001598887322 996923703 /nfs/dbraw/zinc/92/37/03/996923703.db2.gz WADFYXRQJAXUCY-UHFFFAOYSA-N -1 0 377.784 3.282 20 50 GGGDRM COc1cc(C)c([C@@H](C)NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001599390525 997026079 /nfs/dbraw/zinc/02/60/79/997026079.db2.gz BETDUJFILKUONR-CYBMUJFWSA-N -1 0 387.436 3.027 20 50 GGGDRM COc1cc(C)c([C@H](C)NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001599390526 997026235 /nfs/dbraw/zinc/02/62/35/997026235.db2.gz BETDUJFILKUONR-ZDUSSCGKSA-N -1 0 387.436 3.027 20 50 GGGDRM COCc1nc(C(=O)NNc2ccccc2C(=O)[O-])c(-c2ccccc2)s1 ZINC001599299577 997207461 /nfs/dbraw/zinc/20/74/61/997207461.db2.gz ZFTWRVLQTAYOMF-UHFFFAOYSA-N -1 0 383.429 3.412 20 50 GGGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC(F)F)c1 ZINC001599505712 997207791 /nfs/dbraw/zinc/20/77/91/997207791.db2.gz USJXGBXUDIVRTC-UHFFFAOYSA-N -1 0 383.259 3.122 20 50 GGGDRM COc1ccc(C(=O)c2ccccc2C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001599505821 997210374 /nfs/dbraw/zinc/21/03/74/997210374.db2.gz YOTWHRHXYOPNAX-UHFFFAOYSA-N -1 0 390.395 3.381 20 50 GGGDRM COc1cc(/C=C\C(=O)[O-])ccc1OS(=O)(=O)c1ccc(CCCl)cc1 ZINC001599401330 997219669 /nfs/dbraw/zinc/21/96/69/997219669.db2.gz WGBFZFUSARVYNV-UITAMQMPSA-N -1 0 396.848 3.342 20 50 GGGDRM COc1cc(CCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)ccc1Cl ZINC001599404188 997266424 /nfs/dbraw/zinc/26/64/24/997266424.db2.gz IUGFAUAKKRFICY-UHFFFAOYSA-N -1 0 381.791 3.055 20 50 GGGDRM COc1ccc([C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C(F)(F)F)cc1 ZINC001599522698 997507345 /nfs/dbraw/zinc/50/73/45/997507345.db2.gz WUECRCPZHQDUMG-MRXNPFEDSA-N -1 0 397.353 3.252 20 50 GGGDRM C[C@@]1(CNC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C[C@@H]1Br ZINC001594019338 997513393 /nfs/dbraw/zinc/51/33/93/997513393.db2.gz AGDBIIDFGCFKIB-YOEHRIQHSA-N -1 0 395.253 3.146 20 50 GGGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599420539 997586913 /nfs/dbraw/zinc/58/69/13/997586913.db2.gz KPEALFTVZWMFGD-UHFFFAOYSA-N -1 0 397.840 3.192 20 50 GGGDRM COc1cc(F)c([C@H](C)NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC001599425875 997673667 /nfs/dbraw/zinc/67/36/67/997673667.db2.gz PIQJZBUSIIEGHQ-VIFPVBQESA-N -1 0 395.362 3.068 20 50 GGGDRM COc1cc(F)c([C@@H](C)NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC001599425874 997674047 /nfs/dbraw/zinc/67/40/47/997674047.db2.gz PIQJZBUSIIEGHQ-SECBINFHSA-N -1 0 395.362 3.068 20 50 GGGDRM COc1c(Br)cccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599327174 997685047 /nfs/dbraw/zinc/68/50/47/997685047.db2.gz GYJQPOHTDIWUEJ-UHFFFAOYSA-N -1 0 383.173 3.052 20 50 GGGDRM COc1c(Br)ccc(C)c1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599327425 997688698 /nfs/dbraw/zinc/68/86/98/997688698.db2.gz NPGPJZGLFAPMLJ-UHFFFAOYSA-N -1 0 379.210 3.221 20 50 GGGDRM COc1c(C(=O)[O-])ncnc1N1CCC(CO[Si](C)(C)C(C)(C)C)CC1 ZINC001599333044 997781794 /nfs/dbraw/zinc/78/17/94/997781794.db2.gz QERJTCVJVDYBQL-UHFFFAOYSA-N -1 0 381.549 3.422 20 50 GGGDRM COc1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)ccc1C(=O)[O-] ZINC001599433224 997796262 /nfs/dbraw/zinc/79/62/62/997796262.db2.gz KDNPPUVIGPWACW-CRAIPNDOSA-N -1 0 390.233 3.437 20 50 GGGDRM COc1cc(NC(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)ccc1C(=O)[O-] ZINC001599433225 997796707 /nfs/dbraw/zinc/79/67/07/997796707.db2.gz KDNPPUVIGPWACW-MAUKXSAKSA-N -1 0 390.233 3.437 20 50 GGGDRM COCCCOc1cccc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1C ZINC001599228470 997802797 /nfs/dbraw/zinc/80/27/97/997802797.db2.gz FBMWINOMUIFPGN-UHFFFAOYSA-N -1 0 376.384 3.005 20 50 GGGDRM COCCCOc1cccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001599228692 997806180 /nfs/dbraw/zinc/80/61/80/997806180.db2.gz VRMLUWGLXXNNJG-UHFFFAOYSA-N -1 0 376.384 3.005 20 50 GGGDRM COc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)ccc1Br ZINC001599440190 997917521 /nfs/dbraw/zinc/91/75/21/997917521.db2.gz ORUMKYHCRFDSCN-UHFFFAOYSA-N -1 0 398.188 3.444 20 50 GGGDRM COc1cc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(OC)c(C)c1OC ZINC001599440439 997921284 /nfs/dbraw/zinc/92/12/84/997921284.db2.gz ZUNBBZXBXAXVDJ-UHFFFAOYSA-N -1 0 393.371 3.007 20 50 GGGDRM COc1cc(NNC(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)ccc1Cl ZINC001599444850 997990722 /nfs/dbraw/zinc/99/07/22/997990722.db2.gz GCLCTKBPHJYXLT-JKIHBJTHSA-N -1 0 399.900 3.104 20 50 GGGDRM COc1cc(Br)cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599346260 998011607 /nfs/dbraw/zinc/01/16/07/998011607.db2.gz BBSJATUBBLPGPE-UHFFFAOYSA-N -1 0 398.188 3.444 20 50 GGGDRM COc1ccc(CC[C@@H](C)NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599553537 998050965 /nfs/dbraw/zinc/05/09/65/998050965.db2.gz IBFZJHKGXYCCPL-GFCCVEGCSA-N -1 0 375.400 3.180 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC001598946967 998075149 /nfs/dbraw/zinc/07/51/49/998075149.db2.gz OFKNHUKNKJKMNW-UHFFFAOYSA-N -1 0 381.747 3.113 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2cccc(C)c2Cl)ccc1C(=O)[O-] ZINC001598947014 998075471 /nfs/dbraw/zinc/07/54/71/998075471.db2.gz ROYDBGSIZPJXOF-UHFFFAOYSA-N -1 0 377.784 3.282 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc(Cl)c1F ZINC001598947034 998076547 /nfs/dbraw/zinc/07/65/47/998076547.db2.gz SQVAEOOYUIGGKK-UHFFFAOYSA-N -1 0 395.774 3.041 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc(F)c1Cl ZINC001598947155 998077835 /nfs/dbraw/zinc/07/78/35/998077835.db2.gz ZPWPENQEYOPASJ-UHFFFAOYSA-N -1 0 399.737 3.252 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)ccc1Cl ZINC001598947095 998077929 /nfs/dbraw/zinc/07/79/29/998077929.db2.gz WOPPIFKXJHVMLW-UHFFFAOYSA-N -1 0 377.784 3.282 20 50 GGGDRM COc1cc(C(=O)NN=C2CCC[C@@H](C(=O)[O-])C2)ccc1OCCC(C)C ZINC001599355227 998167727 /nfs/dbraw/zinc/16/77/27/998167727.db2.gz KGSFBAXUWFBLHF-OAHLLOKOSA-N -1 0 376.453 3.481 20 50 GGGDRM COc1cc(C(=O)NNc2ccc(C(=O)[O-])cn2)cc(Cl)c1OCC(C)C ZINC001599355539 998172411 /nfs/dbraw/zinc/17/24/11/998172411.db2.gz ZTBOWWBRVYVCQG-UHFFFAOYSA-N -1 0 393.827 3.234 20 50 GGGDRM COc1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)ccc1OCC(C)C ZINC001599355510 998172669 /nfs/dbraw/zinc/17/26/69/998172669.db2.gz YGRHSYJVFLGOSZ-UHFFFAOYSA-N -1 0 376.384 3.324 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1ccc(C)cc1Cl ZINC001599365360 998326369 /nfs/dbraw/zinc/32/63/69/998326369.db2.gz IECLKCHCDBPEAE-UHFFFAOYSA-N -1 0 377.828 3.224 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1ccc(F)cc1Cl ZINC001599365680 998331105 /nfs/dbraw/zinc/33/11/05/998331105.db2.gz PMYZBEQIMHRPCO-UHFFFAOYSA-N -1 0 381.791 3.055 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1ccc(Cl)c(C)c1 ZINC001599365741 998332376 /nfs/dbraw/zinc/33/23/76/998332376.db2.gz RXLLYKZEEPOVSV-UHFFFAOYSA-N -1 0 377.828 3.224 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1c(C)cccc1Cl ZINC001599365747 998332467 /nfs/dbraw/zinc/33/24/67/998332467.db2.gz SBXBEGWOFVIHSG-UHFFFAOYSA-N -1 0 377.828 3.224 20 50 GGGDRM COc1cc2ccc(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)cc2cc1OC ZINC001599466137 998364794 /nfs/dbraw/zinc/36/47/94/998364794.db2.gz OTCZGRZYLKFGGF-UHFFFAOYSA-N -1 0 384.363 3.451 20 50 GGGDRM C[C@@H]1[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCN1C(=O)OC(C)(C)C ZINC001594137025 998385391 /nfs/dbraw/zinc/38/53/91/998385391.db2.gz UGUBARGDVJOTLJ-ZYHUDNBSSA-N -1 0 397.859 3.127 20 50 GGGDRM COc1ccc(-c2ccc(C(=O)NNc3ccc(C(=O)[O-])cn3)c(F)c2)cc1 ZINC001599468226 998402177 /nfs/dbraw/zinc/40/21/77/998402177.db2.gz GZTWYCDRKLAYQL-UHFFFAOYSA-N -1 0 381.363 3.351 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001599159337 998429511 /nfs/dbraw/zinc/42/95/11/998429511.db2.gz GLRLFYGCEARCNA-YCHCUCNZSA-N -1 0 389.496 3.082 20 50 GGGDRM COc1ccc(Cl)c(-c2cc(C(=O)NNc3cccc(C(=O)[O-])c3)on2)c1 ZINC001599576611 998453171 /nfs/dbraw/zinc/45/31/71/998453171.db2.gz DFSZWHBHTGNPOO-UHFFFAOYSA-N -1 0 387.779 3.459 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2O)c1C ZINC001599161269 998461817 /nfs/dbraw/zinc/46/18/17/998461817.db2.gz OYJLXZAMGPDZFL-WPBJZHHJSA-N -1 0 397.431 3.262 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)[O-])n2)c1C ZINC001599162289 998479274 /nfs/dbraw/zinc/47/92/74/998479274.db2.gz YRMTVCIFZNUPJM-KDVQLTRESA-N -1 0 397.431 3.056 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC001599267449 998493131 /nfs/dbraw/zinc/49/31/31/998493131.db2.gz DSEPCDSFTDNEDD-CXUHLZMHSA-N -1 0 385.395 3.134 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C ZINC001599267532 998494018 /nfs/dbraw/zinc/49/40/18/998494018.db2.gz FIWPUTKCJZJHLI-SKCQWOFPSA-N -1 0 395.459 3.485 20 50 GGGDRM COc1ccc(Cl)cc1CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599578993 998494443 /nfs/dbraw/zinc/49/44/43/998494443.db2.gz LORTUGSQOWDKTM-UHFFFAOYSA-N -1 0 381.791 3.055 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001599376529 998494947 /nfs/dbraw/zinc/49/49/47/998494947.db2.gz 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COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(Br)c(C)c1 ZINC001599377080 998504491 /nfs/dbraw/zinc/50/44/91/998504491.db2.gz ZRIHSUYLZKCLNL-UHFFFAOYSA-N -1 0 379.210 3.221 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC001599377297 998507659 /nfs/dbraw/zinc/50/76/59/998507659.db2.gz RHGUFMOPNFOCBU-UHFFFAOYSA-N -1 0 392.371 3.287 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC001599377319 998508256 /nfs/dbraw/zinc/50/82/56/998508256.db2.gz SHAAMNMZGFEEHP-UHFFFAOYSA-N -1 0 387.779 3.459 20 50 GGGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)CCc1cccc(C(F)(F)F)c1 ZINC001599377452 998509630 /nfs/dbraw/zinc/50/96/30/998509630.db2.gz ZQCVXQDPWIRRGL-UHFFFAOYSA-N -1 0 382.338 3.488 20 50 GGGDRM COc1ccc(Cl)cc1NCCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599579996 998512203 /nfs/dbraw/zinc/51/22/03/998512203.db2.gz POJFJLZXEYNZDT-UHFFFAOYSA-N -1 0 381.791 3.131 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001599268856 998515668 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CCOc1ccc(C=C(C#N)C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000833662838 604694891 /nfs/dbraw/zinc/69/48/91/604694891.db2.gz CXYDUXBSYFOVCT-LICLKQGHSA-N -1 0 379.368 3.117 20 50 GGGDRM O=C([O-])Nc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC000833282248 604706216 /nfs/dbraw/zinc/70/62/16/604706216.db2.gz WEBXPSMEXIQXKL-UHFFFAOYSA-N -1 0 384.270 3.460 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C2(C(=O)[O-])CCCC2)c(C)n1C[C@@H]1CCCO1 ZINC000832881443 604714091 /nfs/dbraw/zinc/71/40/91/604714091.db2.gz PUMFJBQKNLYVBO-OVCORXIESA-N -1 0 399.491 3.047 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C2(C(=O)[O-])CCCC2)c(C)n1C[C@H]1CCCO1 ZINC000832881446 604714187 /nfs/dbraw/zinc/71/41/87/604714187.db2.gz PUMFJBQKNLYVBO-TVNWYLLRSA-N -1 0 399.491 3.047 20 50 GGGDRM O=C([O-])c1cccc(CC(=O)NNc2c(F)cc(F)cc2Br)c1 ZINC000833765902 604764953 /nfs/dbraw/zinc/76/49/53/604764953.db2.gz VHCBMMAJAHZVGK-UHFFFAOYSA-N -1 0 385.164 3.111 20 50 GGGDRM CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833466971 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NVBNPILKNMBWCT-UHFFFAOYSA-N -1 0 390.827 3.325 20 50 GGGDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833602780 605245941 /nfs/dbraw/zinc/24/59/41/605245941.db2.gz BLXSRWPBSBHBJI-BMIGLBTASA-N -1 0 387.823 3.390 20 50 GGGDRM CCCc1c(C(=O)NNc2ccc(C(=O)OC)c(Cl)c2)[nH]c(C)c1C(=O)[O-] ZINC000833653005 605246222 /nfs/dbraw/zinc/24/62/22/605246222.db2.gz MAHWUYOLPGMBCX-UHFFFAOYSA-N -1 0 393.827 3.171 20 50 GGGDRM C=CCc1ccc(OCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC000833379818 605246468 /nfs/dbraw/zinc/24/64/68/605246468.db2.gz MTABWNYCVWKYDT-UHFFFAOYSA-N -1 0 390.823 3.297 20 50 GGGDRM O=C([O-])c1ccc(NNC(=O)Cc2csc(-c3ccccn3)n2)cc1Cl ZINC000833765645 605246715 /nfs/dbraw/zinc/24/67/15/605246715.db2.gz UNAIDWGFVZMJFY-UHFFFAOYSA-N -1 0 388.836 3.243 20 50 GGGDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)NNc2ccccc2Cl)s1 ZINC000833447032 605482083 /nfs/dbraw/zinc/48/20/83/605482083.db2.gz WGZYHEYJQWPZIB-UHFFFAOYSA-N -1 0 395.868 3.479 20 50 GGGDRM CN(Cc1ccc(NC(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cc1)C(=O)[O-] ZINC000833695144 605484232 /nfs/dbraw/zinc/48/42/32/605484232.db2.gz IWEKOMBASZJEPK-UHFFFAOYSA-N -1 0 398.463 3.176 20 50 GGGDRM CC(C)(C)c1ccc(NNC(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000833448752 605710637 /nfs/dbraw/zinc/71/06/37/605710637.db2.gz GEJOJDFRNKNREV-UHFFFAOYSA-N -1 0 377.470 3.392 20 50 GGGDRM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833434985 605712928 /nfs/dbraw/zinc/71/29/28/605712928.db2.gz RJOWVOZJZTTWJT-UHFFFAOYSA-N -1 0 385.420 3.418 20 50 GGGDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833440048 605721215 /nfs/dbraw/zinc/72/12/15/605721215.db2.gz DOOXHBNACIIWMN-JLTOFOAXSA-N -1 0 391.468 3.302 20 50 GGGDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833440049 605721252 /nfs/dbraw/zinc/72/12/52/605721252.db2.gz DOOXHBNACIIWMN-VBKZILBWSA-N -1 0 391.468 3.302 20 50 GGGDRM COc1ccc(Nc2nc(C(=O)NNc3ccccc3C(=O)[O-])cs2)cc1 ZINC000833733138 605722659 /nfs/dbraw/zinc/72/26/59/605722659.db2.gz IZEWVWGTYYRYPY-UHFFFAOYSA-N -1 0 384.417 3.350 20 50 GGGDRM CCc1ccc(-n2nc(C(=O)NNc3ccccc3C(=O)[O-])c3c2CCC3)cc1 ZINC000833669226 605724450 /nfs/dbraw/zinc/72/44/50/605724450.db2.gz BRGFZXFTNPQESA-UHFFFAOYSA-N -1 0 390.443 3.379 20 50 GGGDRM CN(C(=O)c1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000833686414 605724886 /nfs/dbraw/zinc/72/48/86/605724886.db2.gz VBZLYRGXDUYPGQ-UHFFFAOYSA-N -1 0 389.411 3.418 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833540777 605730911 /nfs/dbraw/zinc/73/09/11/605730911.db2.gz XRQQPYWBIGRQGV-JTQLQIEISA-N -1 0 379.210 3.058 20 50 GGGDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833440375 605732613 /nfs/dbraw/zinc/73/26/13/605732613.db2.gz HZXOUNKNQMPIAI-MGPUTAFESA-N -1 0 391.468 3.302 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833442732 605732625 /nfs/dbraw/zinc/73/26/25/605732625.db2.gz WRVCLGMLPHFVDL-HNNXBMFYSA-N -1 0 377.441 3.008 20 50 GGGDRM CC(C)c1nc(C(=O)NNc2cccc(C(=O)[O-])c2)nn1-c1ccccc1Cl ZINC000833511520 605734887 /nfs/dbraw/zinc/73/48/87/605734887.db2.gz WTIMXTJTDNWHPR-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM CCCc1c(C(=O)NNc2cccc(C(=O)[O-])c2)cnn1Cc1ccccc1 ZINC000833653346 605735406 /nfs/dbraw/zinc/73/54/06/605735406.db2.gz QUYPFCNMZGDOCP-UHFFFAOYSA-N -1 0 378.432 3.339 20 50 GGGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1 ZINC000833765370 605738516 /nfs/dbraw/zinc/73/85/16/605738516.db2.gz KJWJOCOAXFBCTE-UHFFFAOYSA-N -1 0 385.420 3.257 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833440006 605856037 /nfs/dbraw/zinc/85/60/37/605856037.db2.gz SQLZNIXRDUIGFJ-IBGZPJMESA-N -1 0 377.441 3.008 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833440007 605856105 /nfs/dbraw/zinc/85/61/05/605856105.db2.gz SQLZNIXRDUIGFJ-LJQANCHMSA-N -1 0 377.441 3.008 20 50 GGGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCC(C)(C)c2ccccc2)o1 ZINC000824358438 607817603 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20 50 GGGDRM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000819773181 1429030414 /nfs/dbraw/zinc/03/04/14/1429030414.db2.gz RASCGRJURCRQNY-NSHDSACASA-N -1 0 391.460 3.386 20 50 GGGDRM Cc1ccc(F)c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000826289210 1429044357 /nfs/dbraw/zinc/04/43/57/1429044357.db2.gz PWPQHKNUQLQKIX-UHFFFAOYSA-N -1 0 398.295 3.229 20 50 GGGDRM Cn1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359722 1429091157 /nfs/dbraw/zinc/09/11/57/1429091157.db2.gz OXYWPVZMOUPTSA-XNTDXEJSSA-N -1 0 393.414 3.208 20 50 GGGDRM N#CC(=Cc1csc(-c2ccccn2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379423 1429117429 /nfs/dbraw/zinc/11/74/29/1429117429.db2.gz RCJCFHKMXBRHTP-NTEUORMPSA-N -1 0 385.412 3.175 20 50 GGGDRM O=C(CCOc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408265 1429169150 /nfs/dbraw/zinc/16/91/50/1429169150.db2.gz XZKQZZUTIDBVPP-UHFFFAOYSA-N -1 0 393.234 3.086 20 50 GGGDRM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccccc1Cl 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000826447335 1426453767 /nfs/dbraw/zinc/45/37/67/1426453767.db2.gz AJXLTRJPQIHSHZ-UHFFFAOYSA-N -1 0 391.822 3.339 20 50 GGGDRM COc1ccc(C=C(C#N)c2nc(-c3ccc(C)cc3)no2)cc1-c1nnn[n-]1 ZINC000737077021 1426578007 /nfs/dbraw/zinc/57/80/07/1426578007.db2.gz QVGHYLRYKFDXFW-OQLLNIDSSA-N -1 0 385.387 3.298 20 50 GGGDRM N#CC=C(c1ccc(F)cc1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822806752 1426640077 /nfs/dbraw/zinc/64/00/77/1426640077.db2.gz SNAHVBLJXLTPKH-UKWGHVSLSA-N -1 0 390.422 3.414 20 50 GGGDRM O=C(CCCC[C@@H]1CCSS1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737825701 1426652581 /nfs/dbraw/zinc/65/25/81/1426652581.db2.gz OAGRNRZCMQEGCS-OAHLLOKOSA-N -1 0 393.538 3.076 20 50 GGGDRM CCc1ccc([C@@H](C)CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000736691876 1426808376 /nfs/dbraw/zinc/80/83/76/1426808376.db2.gz ZCTGMKFNKVPDAA-LBPRGKRZSA-N -1 0 383.456 3.177 20 50 GGGDRM Cc1cc(C(=O)NNc2cccc(F)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259765 1426887755 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BVHIJCWAENCQGJ-UHFFFAOYSA-N -1 0 386.415 3.203 20 50 GGGDRM CCC(C)(C)c1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000825044432 1446500151 /nfs/dbraw/zinc/50/01/51/1446500151.db2.gz QPPZQMVRNVSIDU-UHFFFAOYSA-N -1 0 383.456 3.423 20 50 GGGDRM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1cc(Cl)ccc1Cl ZINC000822978209 1446633550 /nfs/dbraw/zinc/63/35/50/1446633550.db2.gz GEGUTGVUVZJXQF-UHFFFAOYSA-N -1 0 377.235 3.249 20 50 GGGDRM CCc1cc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000821469268 1446672579 /nfs/dbraw/zinc/67/25/79/1446672579.db2.gz ANZKTOQBECVNAT-UHFFFAOYSA-N -1 0 380.330 3.106 20 50 GGGDRM O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130685 1446737691 /nfs/dbraw/zinc/73/76/91/1446737691.db2.gz VFQKQBQSPKYUPU-UHFFFAOYSA-N -1 0 384.399 3.423 20 50 GGGDRM O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823453872 1446807174 /nfs/dbraw/zinc/80/71/74/1446807174.db2.gz CROBDYBJJUPSGK-UHFFFAOYSA-N -1 0 397.297 3.426 20 50 GGGDRM O=C(NN=Cc1ccccc1OCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129648 1446901471 /nfs/dbraw/zinc/90/14/71/1446901471.db2.gz GEAHRRVNLGVZQA-UHFFFAOYSA-N -1 0 398.426 3.210 20 50 GGGDRM CC[C@H](C)Oc1ccccc1C=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825074361 1446913250 /nfs/dbraw/zinc/91/32/50/1446913250.db2.gz GZBFBSHCQTXHEY-UELRPHRMSA-N -1 0 378.436 3.201 20 50 GGGDRM O=C(Cc1cccc2ccccc21)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823111827 1446923617 /nfs/dbraw/zinc/92/36/17/1446923617.db2.gz OQNVBSRJFPJOCZ-UHFFFAOYSA-N -1 0 395.426 3.194 20 50 GGGDRM CC(C)Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824280757 1446932427 /nfs/dbraw/zinc/93/24/27/1446932427.db2.gz SLCZYGHUEDXPKF-UHFFFAOYSA-N -1 0 375.436 3.234 20 50 GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000826447079 1447206872 /nfs/dbraw/zinc/20/68/72/1447206872.db2.gz LYOHJWAPFHZUSU-UHFFFAOYSA-N -1 0 388.218 3.412 20 50 GGGDRM Cc1cc(Cl)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC000826267603 1449052696 /nfs/dbraw/zinc/05/26/96/1449052696.db2.gz MNXBGMGRQCVDND-UHFFFAOYSA-N -1 0 375.820 3.005 20 50 GGGDRM Cc1c(C=C(C#N)C(=O)NC2CC(C)(C)CC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235651 1449080137 /nfs/dbraw/zinc/08/01/37/1449080137.db2.gz ODCVRECBVXPBSX-CHHVJCJISA-N -1 0 395.511 3.142 20 50 GGGDRM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000819866216 1449123689 /nfs/dbraw/zinc/12/36/89/1449123689.db2.gz KXELTLRNTAVSSA-MRVPVSSYSA-N -1 0 382.371 3.194 20 50 GGGDRM O=C(NNc1c(Cl)cc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826445579 1449125460 /nfs/dbraw/zinc/12/54/60/1449125460.db2.gz ZUNOROSKCLFDSX-UHFFFAOYSA-N -1 0 382.186 3.461 20 50 GGGDRM COc1cccc(-c2n[nH]cc2C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214061 1449182354 /nfs/dbraw/zinc/18/23/54/1449182354.db2.gz YPFGOILHRHORAV-SXGWCWSVSA-N -1 0 397.398 3.055 20 50 GGGDRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825159249 1449234960 /nfs/dbraw/zinc/23/49/60/1449234960.db2.gz LTACSPSFNBAPPK-QGZVFWFLSA-N -1 0 380.452 3.291 20 50 GGGDRM C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc(-c5nn[n-]n5)c4)cc3c2C1 ZINC000824966856 1449245822 /nfs/dbraw/zinc/24/58/22/1449245822.db2.gz FVNXVJITIPKMJT-LBPRGKRZSA-N -1 0 387.447 3.230 20 50 GGGDRM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000819866352 1449307535 /nfs/dbraw/zinc/30/75/35/1449307535.db2.gz LOSQBYANQDDIKD-VIFPVBQESA-N -1 0 394.332 3.271 20 50 GGGDRM COc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826167147 1449376307 /nfs/dbraw/zinc/37/63/07/1449376307.db2.gz RBRGYLUMCUBJFD-UHFFFAOYSA-N -1 0 392.444 3.361 20 50 GGGDRM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000823942943 1449501991 /nfs/dbraw/zinc/50/19/91/1449501991.db2.gz LNOOSAHENFZYKF-PKNBQFBNSA-N -1 0 388.353 3.432 20 50 GGGDRM COc1ccc(C=C(C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1-c1nn[n-]n1 ZINC000737073812 1449510752 /nfs/dbraw/zinc/51/07/52/1449510752.db2.gz BZLUJYNOACEEDF-RIYZIHGNSA-N -1 0 384.399 3.455 20 50 GGGDRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824746593 1449606399 /nfs/dbraw/zinc/60/63/99/1449606399.db2.gz WINSSNHBILEADC-VIFPVBQESA-N -1 0 393.234 3.084 20 50 GGGDRM N#C/C(=C/c1c(Cl)nc2sccn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379194 1449666327 /nfs/dbraw/zinc/66/63/27/1449666327.db2.gz LMEAUZCCJAHCRS-XFFZJAGNSA-N -1 0 381.808 3.019 20 50 GGGDRM O=C(CCC(=O)c1ccc2ccccc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404884 1449677551 /nfs/dbraw/zinc/67/75/51/1449677551.db2.gz OZZMFRCFNBCZMM-UHFFFAOYSA-N -1 0 386.415 3.126 20 50 GGGDRM C[C@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820299253 1449718220 /nfs/dbraw/zinc/71/82/20/1449718220.db2.gz FPWFSHMXDJTMMC-LLVKDONJSA-N -1 0 390.369 3.207 20 50 GGGDRM Cc1ccc(C)c(NNC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000826285284 1449727357 /nfs/dbraw/zinc/72/73/57/1449727357.db2.gz UVUKZCNYCILGSE-GOSISDBHSA-N -1 0 380.452 3.030 20 50 GGGDRM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000823943100 1449751283 /nfs/dbraw/zinc/75/12/83/1449751283.db2.gz NCRQLDYMHWYKBB-DHZHZOJOSA-N -1 0 388.353 3.432 20 50 GGGDRM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(C)(C)c2ccccc2Cl)o1 ZINC000735940146 1449925693 /nfs/dbraw/zinc/92/56/93/1449925693.db2.gz WMHKMWGACSIMGU-UHFFFAOYSA-N -1 0 389.847 3.052 20 50 GGGDRM O=C(NCc1cccc(-c2nn[n-]n2)c1)NNc1c(Cl)cc(F)cc1Cl ZINC000826442746 1450035224 /nfs/dbraw/zinc/03/52/24/1450035224.db2.gz JRYNJQOLLWBNJK-UHFFFAOYSA-N -1 0 396.213 3.139 20 50 GGGDRM CCC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000821022412 1450073000 /nfs/dbraw/zinc/07/30/00/1450073000.db2.gz RRTVPDDOBKNPAN-INIZCTEOSA-N -1 0 387.394 3.312 20 50 GGGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000735447140 1450092986 /nfs/dbraw/zinc/09/29/86/1450092986.db2.gz JKZGWMVKEQEZIH-HZPDHXFCSA-N -1 0 380.839 3.430 20 50 GGGDRM COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000821831759 1450204242 /nfs/dbraw/zinc/20/42/42/1450204242.db2.gz LRFILAKOOWLWIN-WUXMJOGZSA-N -1 0 398.785 3.213 20 50 GGGDRM CSc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000826230048 1450223800 /nfs/dbraw/zinc/22/38/00/1450223800.db2.gz BNEPXXKOLMGJAM-AUWJEWJLSA-N -1 0 393.476 3.090 20 50 GGGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2nccs2)c1 ZINC000826448364 1450262290 /nfs/dbraw/zinc/26/22/90/1450262290.db2.gz SBYJPHRMOSQHCW-UHFFFAOYSA-N -1 0 378.421 3.139 20 50 GGGDRM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826322244 1450282888 /nfs/dbraw/zinc/28/28/88/1450282888.db2.gz DOEIOJDYUJWTBA-UHFFFAOYSA-N -1 0 395.423 3.195 20 50 GGGDRM COc1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737103902 1450283828 /nfs/dbraw/zinc/28/38/28/1450283828.db2.gz KPCYGDVQXBMZDS-UHFFFAOYSA-N -1 0 393.329 3.043 20 50 GGGDRM Cc1cc2cc(C(=O)NNc3cc(-c4nn[n-]n4)cc(Cl)n3)oc2cc1C ZINC000826273156 1450338608 /nfs/dbraw/zinc/33/86/08/1450338608.db2.gz RQUQEPUKRTXFFV-UHFFFAOYSA-N -1 0 383.799 3.035 20 50 GGGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC001574424585 948860022 /nfs/dbraw/zinc/86/00/22/948860022.db2.gz QWZMBYAABAPLNY-HUUCEWRRSA-N -1 0 395.467 3.395 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001589655747 949816306 /nfs/dbraw/zinc/81/63/06/949816306.db2.gz KLXZBBRWAOVJIJ-BENRWUELSA-N -1 0 387.461 3.351 20 50 GGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC001589667388 949906222 /nfs/dbraw/zinc/90/62/22/949906222.db2.gz QSLRYUYGEMLJRE-OJULZIBGSA-N -1 0 383.492 3.381 20 50 GGGDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)C1 ZINC001595012372 951257716 /nfs/dbraw/zinc/25/77/16/951257716.db2.gz CUUGGTJREKDVPE-JCKWVBRZSA-N -1 0 380.282 3.195 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)[O-])c2C)cc1 ZINC001592255275 951318722 /nfs/dbraw/zinc/31/87/22/951318722.db2.gz JJSCKIWCKZXTRT-IIMQCXAKSA-N -1 0 395.459 3.379 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001592425540 951326156 /nfs/dbraw/zinc/32/61/56/951326156.db2.gz AHUDHVBQJAXIMZ-RUQNTENUSA-N -1 0 376.412 3.422 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001592425542 951326713 /nfs/dbraw/zinc/32/67/13/951326713.db2.gz AHUDHVBQJAXIMZ-ZQLNMLEESA-N -1 0 376.412 3.422 20 50 GGGDRM O=C([O-])COc1ccc(C(=O)NNc2ccc(Cl)c(Br)c2)cc1 ZINC001595119431 951965528 /nfs/dbraw/zinc/96/55/28/951965528.db2.gz VPDNYCGXGPNVPN-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM O=C([O-])COc1cccc(C(=O)NNc2ccc(Cl)c(Br)c2)c1 ZINC001595122508 951979085 /nfs/dbraw/zinc/97/90/85/951979085.db2.gz LWYSHZMYHXYBLC-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM O=C([O-])Cc1cccc(NC(=O)NNc2cc(Br)ccc2F)c1 ZINC001595131712 952035353 /nfs/dbraw/zinc/03/53/53/952035353.db2.gz GEXQWBYBAYZVJE-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001602923026 971883529 /nfs/dbraw/zinc/88/35/29/971883529.db2.gz OZYYSANMVMASJN-QZTJIDSGSA-N -1 0 395.459 3.241 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593628814 953577334 /nfs/dbraw/zinc/57/73/34/953577334.db2.gz WXCGYDUXABBOMF-UHFFFAOYSA-N -1 0 393.237 3.232 20 50 GGGDRM O=C([O-])[C@@H]1CC(C(=O)NNc2cccc(Cl)c2Cl)=NN1c1ccccc1 ZINC001594780109 953621799 /nfs/dbraw/zinc/62/17/99/953621799.db2.gz IZEWOOMJHIFHIP-AWEZNQCLSA-N -1 0 393.230 3.156 20 50 GGGDRM O=C([O-])c1cncc(NC(=O)NNc2ccc(Cl)c(Br)c2)c1 ZINC001594780104 953622326 /nfs/dbraw/zinc/62/23/26/953622326.db2.gz ISTAALLKOAQYPM-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cnn(-c2ccccc2)c1C(F)F ZINC001594781630 953634593 /nfs/dbraw/zinc/63/45/93/953634593.db2.gz RHINJMLEWHTOHC-UHFFFAOYSA-N -1 0 388.334 3.052 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001594781925 953638592 /nfs/dbraw/zinc/63/85/92/953638592.db2.gz YLFPVPSDJUFZGB-UHFFFAOYSA-N -1 0 384.779 3.377 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC001594782005 953640343 /nfs/dbraw/zinc/64/03/43/953640343.db2.gz NNWMOLSUVGMHGW-UHFFFAOYSA-N -1 0 399.794 3.141 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001594782237 953643419 /nfs/dbraw/zinc/64/34/19/953643419.db2.gz UGWABQCOZKZSAO-UHFFFAOYSA-N -1 0 386.742 3.226 20 50 GGGDRM O=C([O-])c1ccc(Br)c(NC(=O)NNc2cccc(Cl)n2)c1 ZINC001594782209 953643469 /nfs/dbraw/zinc/64/34/69/953643469.db2.gz SIDNKRXVLUMFNI-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001594782701 953646875 /nfs/dbraw/zinc/64/68/75/953646875.db2.gz HOHOMGRYNHEAEK-NKWVEPMBSA-N -1 0 394.642 3.300 20 50 GGGDRM CN(C)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])c(C(F)(F)F)c1 ZINC001593710898 954186673 /nfs/dbraw/zinc/18/66/73/954186673.db2.gz OOCZZJNTBZIFKP-UHFFFAOYSA-N -1 0 383.330 3.013 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2cc(C(F)(F)F)ccc2Br)CC=CC1 ZINC001594865359 954314770 /nfs/dbraw/zinc/31/47/70/954314770.db2.gz VHZIOHZHMFMJGD-UHFFFAOYSA-N -1 0 393.159 3.332 20 50 GGGDRM CC(C)[C@H](CNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001602985385 972015323 /nfs/dbraw/zinc/01/53/23/972015323.db2.gz YYOQJEDMQMSUFY-VIFPVBQESA-N -1 0 378.654 3.085 20 50 GGGDRM CCC(CC)(CNC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC001589481491 954979775 /nfs/dbraw/zinc/97/97/75/954979775.db2.gz DFCQXXFYYGGJJI-PACYTGELSA-N -1 0 389.496 3.227 20 50 GGGDRM CCC(CC)(CNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC001589497566 955020760 /nfs/dbraw/zinc/02/07/60/955020760.db2.gz LSGRPXPYFDXBNA-UHFFFAOYSA-N -1 0 395.525 3.242 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000738060105 955231706 /nfs/dbraw/zinc/23/17/06/955231706.db2.gz NYNRNAXKYPTIMH-RPJLVFAOSA-N -1 0 395.459 3.485 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC000738378179 955237932 /nfs/dbraw/zinc/23/79/32/955237932.db2.gz BOGYNCQZXIWCGE-CJMVGXJBSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000738380112 955239233 /nfs/dbraw/zinc/23/92/33/955239233.db2.gz WSIZGZMBRQJLSC-PFSWGADMSA-N -1 0 385.851 3.491 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)n1CC(C)C ZINC000738379050 955239342 /nfs/dbraw/zinc/23/93/42/955239342.db2.gz MRIKVGBBDTTWJS-HNLWVNFGSA-N -1 0 393.487 3.480 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1ccc(F)cc1Br)C(=O)[O-] ZINC000818626979 955416223 /nfs/dbraw/zinc/41/62/23/955416223.db2.gz NJBSTEPWOMCHGX-UHFFFAOYSA-N -1 0 376.226 3.105 20 50 GGGDRM O=C([O-])C1CCC(NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000821458236 955507189 /nfs/dbraw/zinc/50/71/89/955507189.db2.gz RJDHAQOWZBOMKV-UHFFFAOYSA-N -1 0 380.754 3.023 20 50 GGGDRM CC(C)C[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br)CC(=O)[O-] ZINC001603042024 972103680 /nfs/dbraw/zinc/10/36/80/972103680.db2.gz CRFVSTYCECDNKD-DHSIGJKJSA-N -1 0 382.298 3.345 20 50 GGGDRM Cc1ccc(NC(=O)NNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC000848595428 955769693 /nfs/dbraw/zinc/76/96/93/955769693.db2.gz HBJIERPBDPOBFT-GRYCIOLGSA-N -1 0 396.875 3.120 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNC(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000851653752 955799146 /nfs/dbraw/zinc/79/91/46/955799146.db2.gz ZTUZTDLTVKOTQU-JTQLQIEISA-N -1 0 390.267 3.074 20 50 GGGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1C ZINC001593897356 955831830 /nfs/dbraw/zinc/83/18/30/955831830.db2.gz MNXXBJPKXDDPNE-UHFFFAOYSA-N -1 0 395.774 3.421 20 50 GGGDRM C[C@]1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C[C@@H]1Br ZINC000857101521 955911497 /nfs/dbraw/zinc/91/14/97/955911497.db2.gz ZPXRJKOEDPDVQX-MAUKXSAKSA-N -1 0 395.297 3.447 20 50 GGGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594600598 956121946 /nfs/dbraw/zinc/12/19/46/956121946.db2.gz AACVTSATTBRTBD-LGMDPLHJSA-N -1 0 376.412 3.404 20 50 GGGDRM CC(C)c1c(C(=O)NNc2ncccc2C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC001603099770 972174407 /nfs/dbraw/zinc/17/44/07/972174407.db2.gz ZYQWHFMNJSDTEV-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1C ZINC001593956089 956425645 /nfs/dbraw/zinc/42/56/45/956425645.db2.gz JGXZLPRUONVRQW-FHUMOJDUSA-N -1 0 387.480 3.075 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CC=Cc1ccc(Br)cc1 ZINC001594678912 956684904 /nfs/dbraw/zinc/68/49/04/956684904.db2.gz NUCSDWHTGMFVBH-IWQZZHSRSA-N -1 0 376.210 3.089 20 50 GGGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])cc(Cl)c1Br ZINC001594281066 957743238 /nfs/dbraw/zinc/74/32/38/957743238.db2.gz LQVXTMQZZKEXEU-UHFFFAOYSA-N -1 0 384.617 3.261 20 50 GGGDRM Cc1cc(C)c(C(=O)NNc2ncccc2C(=O)[O-])c(C)c1Br ZINC001594293728 957844469 /nfs/dbraw/zinc/84/44/69/957844469.db2.gz LGTXRFQWTJFCHU-UHFFFAOYSA-N -1 0 378.226 3.224 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC001594301256 957913590 /nfs/dbraw/zinc/91/35/90/957913590.db2.gz RAYLINTVQPJOGM-DISPHTKASA-N -1 0 381.407 3.073 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1-c1ccc(F)cc1 ZINC001594301394 957916872 /nfs/dbraw/zinc/91/68/72/957916872.db2.gz ZBIQPIJGFMZETL-ZDLGFXPLSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCOCC2)c(C)n1C1CCCCC1 ZINC001594301415 957917167 /nfs/dbraw/zinc/91/71/67/957917167.db2.gz ZZJVJRLLUNYJLJ-AQTBWJFISA-N -1 0 399.491 3.267 20 50 GGGDRM COc1cc(NC(=O)NNc2ncccc2C(=O)[O-])c(C2CC2)cc1Cl ZINC001594062649 958106673 /nfs/dbraw/zinc/10/66/73/958106673.db2.gz SZNCPITULMVIMX-UHFFFAOYSA-N -1 0 376.800 3.468 20 50 GGGDRM COc1cc(NNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594066782 958142263 /nfs/dbraw/zinc/14/22/63/958142263.db2.gz YAUULOGNBHLMOO-UKRRQHHQSA-N -1 0 375.812 3.288 20 50 GGGDRM COc1ccc(Br)c(NNC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594075411 958219266 /nfs/dbraw/zinc/21/92/66/958219266.db2.gz PDWCPDZCLYIPPT-UHFFFAOYSA-N -1 0 394.225 3.233 20 50 GGGDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC000097591197 958349033 /nfs/dbraw/zinc/34/90/33/958349033.db2.gz HNHCMVMZQVIIJM-INIZCTEOSA-N -1 0 379.865 3.235 20 50 GGGDRM C#CCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001573318650 958467607 /nfs/dbraw/zinc/46/76/07/958467607.db2.gz QDZMJAHFWLXFFR-BOPFTXTBSA-N -1 0 395.846 3.201 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386648 958681522 /nfs/dbraw/zinc/68/15/22/958681522.db2.gz SIFMVGSTSYRLQU-BEWREHSGSA-N -1 0 377.444 3.243 20 50 GGGDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cc2C1 ZINC001573389271 958682765 /nfs/dbraw/zinc/68/27/65/958682765.db2.gz BTKKKCJVOQTXTQ-OUCADQQQSA-N -1 0 392.521 3.161 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cc2C1 ZINC001573389273 958683130 /nfs/dbraw/zinc/68/31/30/958683130.db2.gz BTKKKCJVOQTXTQ-SCRDCRAPSA-N -1 0 392.521 3.161 20 50 GGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1cccc(OC(F)F)c1Br ZINC001573389837 958688515 /nfs/dbraw/zinc/68/85/15/958688515.db2.gz HMOFIYGHGBARGY-VIFPVBQESA-N -1 0 395.200 3.241 20 50 GGGDRM Cc1ccccc1-n1ncc(C(=O)NNc2ncccc2C(=O)[O-])c1C(C)C ZINC001594414048 958983449 /nfs/dbraw/zinc/98/34/49/958983449.db2.gz RTZYAFGGVKIXPF-UHFFFAOYSA-N -1 0 379.420 3.154 20 50 GGGDRM CC(C)[C@@H]1CCc2nc(NC(=O)NNc3ncccc3C(=O)[O-])sc2C1 ZINC001573502578 959071484 /nfs/dbraw/zinc/07/14/84/959071484.db2.gz PUBCZVVCBGCQNJ-SNVBAGLBSA-N -1 0 375.454 3.146 20 50 GGGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001594228028 959447955 /nfs/dbraw/zinc/44/79/55/959447955.db2.gz BEBNFXZTFUWXCM-INWYIAFRSA-N -1 0 381.148 3.022 20 50 GGGDRM CC(C)(C(=O)NNc1ncccc1C(=O)[O-])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001588610160 959503391 /nfs/dbraw/zinc/50/33/91/959503391.db2.gz SUOAKRHWBUIGCE-ZDUSSCGKSA-N -1 0 398.246 3.290 20 50 GGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC001588632902 959625170 /nfs/dbraw/zinc/62/51/70/959625170.db2.gz AOFZPZVBBARDIT-AWEZNQCLSA-N -1 0 378.425 3.062 20 50 GGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC001588632905 959625581 /nfs/dbraw/zinc/62/55/81/959625581.db2.gz AOFZPZVBBARDIT-CQSZACIVSA-N -1 0 378.425 3.062 20 50 GGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001588642723 959705360 /nfs/dbraw/zinc/70/53/60/959705360.db2.gz FCWJFKAJQKHQNQ-IUODEOHRSA-N -1 0 394.537 3.407 20 50 GGGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)Nc3ccc(C(=O)[O-])cc3F)cc2C1 ZINC001573738392 960468431 /nfs/dbraw/zinc/46/84/31/960468431.db2.gz FJTBFQHFTBFKJN-SECBINFHSA-N -1 0 391.424 3.177 20 50 GGGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C ZINC001573757465 960568084 /nfs/dbraw/zinc/56/80/84/960568084.db2.gz CSCYZKSOYHNCRS-QIPHDZALSA-N -1 0 383.423 3.462 20 50 GGGDRM O=C([O-])C1(C(=O)NNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC001605814446 972532344 /nfs/dbraw/zinc/53/23/44/972532344.db2.gz AWYXNCRWLVOBSS-UHFFFAOYSA-N -1 0 380.615 3.054 20 50 GGGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C1 ZINC001573819193 960936329 /nfs/dbraw/zinc/93/63/29/960936329.db2.gz LMJRYHYAMGOVST-WBAXXEDZSA-N -1 0 380.282 3.195 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C1 ZINC001588739465 961152294 /nfs/dbraw/zinc/15/22/94/961152294.db2.gz OOIDUZMFHJRWRB-ARFHVFGLSA-N -1 0 385.577 3.269 20 50 GGGDRM CC(C)(CCNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001588773535 961263030 /nfs/dbraw/zinc/26/30/30/961263030.db2.gz PXNDZXCUJQANSL-UHFFFAOYSA-N -1 0 378.654 3.230 20 50 GGGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001588808627 961503155 /nfs/dbraw/zinc/50/31/55/961503155.db2.gz VMYAVPBFICCZEJ-SWLSCSKDSA-N -1 0 380.510 3.017 20 50 GGGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001588808872 961505079 /nfs/dbraw/zinc/50/50/79/961505079.db2.gz ZRQQAYNHJSIXFX-SNVBAGLBSA-N -1 0 383.164 3.268 20 50 GGGDRM CCc1cccc(C)c1NC(=S)NNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001573960662 961683245 /nfs/dbraw/zinc/68/32/45/961683245.db2.gz KLFJXJXOBFSMTJ-UHFFFAOYSA-N -1 0 377.510 3.012 20 50 GGGDRM O=C([O-])c1ccccc1CC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 ZINC001574538001 961928427 /nfs/dbraw/zinc/92/84/27/961928427.db2.gz GCDNRISAYUGAHT-UHFFFAOYSA-N -1 0 388.836 3.243 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC001574578397 962087365 /nfs/dbraw/zinc/08/73/65/962087365.db2.gz GEVWHQPZFWAYOK-NKWVEPMBSA-N -1 0 382.041 3.310 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001574578708 962091963 /nfs/dbraw/zinc/09/19/63/962091963.db2.gz LVAVWGYOAGTNSX-UHFFFAOYSA-N -1 0 393.186 3.499 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC001574579181 962097927 /nfs/dbraw/zinc/09/79/27/962097927.db2.gz YHTHCDWNMLQOIO-UHFFFAOYSA-N -1 0 391.225 3.180 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1)C1CCCC1 ZINC001574616380 962223127 /nfs/dbraw/zinc/22/31/27/962223127.db2.gz IWUAIDYBWLHUGO-CQSZACIVSA-N -1 0 380.857 3.193 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)cc1Br)C1CCCC1 ZINC001574617727 962236245 /nfs/dbraw/zinc/23/62/45/962236245.db2.gz UWSPUGNHWJGTFA-LBPRGKRZSA-N -1 0 375.650 3.437 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)c(Br)c1)C1CCCC1 ZINC001574617971 962238527 /nfs/dbraw/zinc/23/85/27/962238527.db2.gz ZBVDJBAWHNCKCL-LBPRGKRZSA-N -1 0 375.650 3.437 20 50 GGGDRM CC(C)Oc1cc(Br)cc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588935197 962489636 /nfs/dbraw/zinc/48/96/36/962489636.db2.gz NZKYOGFWRKBTLP-UHFFFAOYSA-N -1 0 394.225 3.086 20 50 GGGDRM C[C@H](CC(=O)NNc1ncccc1C(=O)[O-])c1ccc(F)c(Br)c1 ZINC001588988741 962788385 /nfs/dbraw/zinc/78/83/85/962788385.db2.gz HASQQFPFJGALTM-SECBINFHSA-N -1 0 396.216 3.318 20 50 GGGDRM O=C([O-])COc1ccc(C(=O)NNc2c(Cl)cccc2Br)cc1 ZINC001574731634 962842607 /nfs/dbraw/zinc/84/26/07/962842607.db2.gz DVJLCZTVXOELAK-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM Cc1cc(Br)c(C(=O)[O-])cc1NS(=O)(=O)CCCCCl ZINC000284984969 962875928 /nfs/dbraw/zinc/87/59/28/962875928.db2.gz FUXXRTMTVAJFAP-UHFFFAOYSA-N -1 0 384.679 3.216 20 50 GGGDRM 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383.423 3.462 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001605164569 972860503 /nfs/dbraw/zinc/86/05/03/972860503.db2.gz YENBIGDQWXOAAE-YVLHZVERSA-N -1 0 383.423 3.462 20 50 GGGDRM O=C([O-])CCC1CCN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)CC1 ZINC001606125993 973368950 /nfs/dbraw/zinc/36/89/50/973368950.db2.gz NIMLYRLWPRWGAC-MAUKXSAKSA-N -1 0 380.282 3.195 20 50 GGGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001603489315 973424227 /nfs/dbraw/zinc/42/42/27/973424227.db2.gz YWICVBKWTVHQGP-MJLBXUHQSA-N -1 0 395.459 3.331 20 50 GGGDRM Cn1c(C(=O)NNc2ncccc2C(=O)[O-])cc2cc(C(F)(F)F)ccc21 ZINC001605467801 973580465 /nfs/dbraw/zinc/58/04/65/973580465.db2.gz MGEHMKUDIDIKFL-UHFFFAOYSA-N -1 0 378.310 3.047 20 50 GGGDRM CC[C@H](Cc1ccccc1Br)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603574741 973713837 /nfs/dbraw/zinc/71/38/37/973713837.db2.gz CJXOMZXGQZILPU-LLVKDONJSA-N -1 0 392.253 3.254 20 50 GGGDRM O=C([O-])Cc1cccc(NC(=O)NNc2cccc(F)c2Br)c1 ZINC001606312500 973727690 /nfs/dbraw/zinc/72/76/90/973727690.db2.gz UJYFREDBDBMSHF-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001606528435 974032772 /nfs/dbraw/zinc/03/27/72/974032772.db2.gz HAXBIVSSWRKCGN-UHFFFAOYSA-N -1 0 379.338 3.364 20 50 GGGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCCc1ccc(Br)cc1 ZINC001605676094 974086797 /nfs/dbraw/zinc/08/67/97/974086797.db2.gz OTILBTZHYOLQPY-UHFFFAOYSA-N -1 0 392.253 3.398 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001603699014 974095523 /nfs/dbraw/zinc/09/55/23/974095523.db2.gz TYKAWOALJMBGPP-UMSHPIDHSA-N -1 0 379.460 3.234 20 50 GGGDRM CCOc1ccc(Br)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001603862634 974367946 /nfs/dbraw/zinc/36/79/46/974367946.db2.gz VKLLEOATSIOIHB-UHFFFAOYSA-N -1 0 395.213 3.090 20 50 GGGDRM CC(C)Nc1ncccc1C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001591671633 975430435 /nfs/dbraw/zinc/43/04/35/975430435.db2.gz CWHLPVJZSIILNH-UHFFFAOYSA-N -1 0 393.241 3.120 20 50 GGGDRM CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001591722963 975668998 /nfs/dbraw/zinc/66/89/98/975668998.db2.gz ZDNDWHCNTCJEJS-QINSGFPZSA-N -1 0 382.416 3.483 20 50 GGGDRM CC(C)OCc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591735887 975730332 /nfs/dbraw/zinc/73/03/32/975730332.db2.gz YJTJKEIXADRTQJ-UHFFFAOYSA-N -1 0 375.400 3.275 20 50 GGGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNc1ccc([N+](=O)[O-])cc1F ZINC001591769506 975891969 /nfs/dbraw/zinc/89/19/69/975891969.db2.gz MBZMHNHXJXTYDB-UHFFFAOYSA-N -1 0 392.343 3.368 20 50 GGGDRM CC(C)Oc1ccc(Cl)cc1C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001591775783 975920587 /nfs/dbraw/zinc/92/05/87/975920587.db2.gz UTBPXBAANNLMFH-UHFFFAOYSA-N -1 0 397.884 3.334 20 50 GGGDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001591829145 976090575 /nfs/dbraw/zinc/09/05/75/976090575.db2.gz FTOXYTITZLBUGF-UHFFFAOYSA-N -1 0 389.433 3.479 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001591923969 976403616 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GGGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC001592391141 977935010 /nfs/dbraw/zinc/93/50/10/977935010.db2.gz CSVWLYAZHKELAU-ZETCQYMHSA-N -1 0 383.164 3.412 20 50 GGGDRM COc1ccc(-c2cc(N)c(C(=O)NN=Cc3ccccc3C(=O)[O-])s2)cc1 ZINC000730557477 978295921 /nfs/dbraw/zinc/29/59/21/978295921.db2.gz GYVAZXDCNHCDDH-UHFFFAOYSA-N -1 0 395.440 3.468 20 50 GGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)nc21 ZINC000735616950 978301461 /nfs/dbraw/zinc/30/14/61/978301461.db2.gz OIZDPQNDMYASLK-NTUHNPAUSA-N -1 0 378.344 3.307 20 50 GGGDRM CC(=NNC(=O)NCc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000736121025 978303268 /nfs/dbraw/zinc/30/32/68/978303268.db2.gz HXBZFNYVAPULLF-UHFFFAOYSA-N -1 0 375.812 3.027 20 50 GGGDRM CC(=NNC(=O)COCc1ccccc1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000736121972 978304342 /nfs/dbraw/zinc/30/43/42/978304342.db2.gz QKLMGAKJHIAMEH-UHFFFAOYSA-N -1 0 397.456 3.360 20 50 GGGDRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736137125 978305870 /nfs/dbraw/zinc/30/58/70/978305870.db2.gz RMEGVXWLVPQNMU-GOSISDBHSA-N -1 0 396.355 3.163 20 50 GGGDRM CC(C)(NC(=O)[O-])C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000736336585 978320190 /nfs/dbraw/zinc/32/01/90/978320190.db2.gz JHAKLKJRROBNFF-UHFFFAOYSA-N -1 0 385.045 3.245 20 50 GGGDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736392970 978329324 /nfs/dbraw/zinc/32/93/24/978329324.db2.gz XURFTDXOZAJDRL-KRWDZBQOSA-N -1 0 384.344 3.174 20 50 GGGDRM CC(C)c1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1-c1ccccn1 ZINC000736509962 978339928 /nfs/dbraw/zinc/33/99/28/978339928.db2.gz ICKYHKUKAOFFQT-UHFFFAOYSA-N -1 0 396.359 3.216 20 50 GGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736703454 978350371 /nfs/dbraw/zinc/35/03/71/978350371.db2.gz FTBKKZZLIGNEDF-CYBMUJFWSA-N -1 0 393.399 3.158 20 50 GGGDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703889 978350399 /nfs/dbraw/zinc/35/03/99/978350399.db2.gz ZKZNLPFIVUWJLJ-MRVPVSSYSA-N -1 0 383.715 3.458 20 50 GGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000736704228 978351126 /nfs/dbraw/zinc/35/11/26/978351126.db2.gz QAQKKGISSAFEQB-CYBMUJFWSA-N -1 0 378.384 3.161 20 50 GGGDRM C/C=C/c1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC)c1 ZINC000736836906 978359305 /nfs/dbraw/zinc/35/93/05/978359305.db2.gz UQNKPCBCIBHXST-ONEGZZNKSA-N -1 0 387.344 3.319 20 50 GGGDRM CCCOc1ccc(C(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737031782 978373674 /nfs/dbraw/zinc/37/36/74/978373674.db2.gz QPSBQPXSPOTLPQ-KRWDZBQOSA-N -1 0 392.839 3.198 20 50 GGGDRM CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1C ZINC000737049576 978375543 /nfs/dbraw/zinc/37/55/43/978375543.db2.gz AYQDBUXMYQLRFM-CHHVJCJISA-N -1 0 384.388 3.139 20 50 GGGDRM CCN(C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C)c1ccccc1C(=O)[O-] ZINC000737049406 978375565 /nfs/dbraw/zinc/37/55/65/978375565.db2.gz FZLJFWWGOKUDSX-AQTBWJFISA-N -1 0 395.459 3.410 20 50 GGGDRM CCCc1c(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)[nH]c(C)c1C(=O)[O-] ZINC000737044521 978375727 /nfs/dbraw/zinc/37/57/27/978375727.db2.gz VOMAGVZKTLGSHV-UHFFFAOYSA-N -1 0 398.246 3.355 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000737050103 978376140 /nfs/dbraw/zinc/37/61/40/978376140.db2.gz ITRGLBJTXAINDR-RQRMZWKBSA-N -1 0 379.460 3.407 20 50 GGGDRM CCOc1cc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)ccc1OCC(=O)[O-] ZINC000737192479 978385430 /nfs/dbraw/zinc/38/54/30/978385430.db2.gz GMYQJOXEYIATPX-UHFFFAOYSA-N -1 0 389.360 3.293 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC000737194203 978386864 /nfs/dbraw/zinc/38/68/64/978386864.db2.gz ATJLJODAIKVOTG-NURJGKTBSA-N -1 0 392.455 3.360 20 50 GGGDRM CCOc1ccc(O[C@H](C)C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000737203296 978388415 /nfs/dbraw/zinc/38/84/15/978388415.db2.gz MJGNGJUUJZYVAL-CYBMUJFWSA-N -1 0 395.415 3.182 20 50 GGGDRM CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000737203298 978388532 /nfs/dbraw/zinc/38/85/32/978388532.db2.gz MJGNGJUUJZYVAL-ZDUSSCGKSA-N -1 0 395.415 3.182 20 50 GGGDRM CCOc1ccc(SCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737211788 978389360 /nfs/dbraw/zinc/38/93/60/978389360.db2.gz WKIIWMZSVUVQNM-UHFFFAOYSA-N -1 0 377.374 3.389 20 50 GGGDRM CCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737219937 978389950 /nfs/dbraw/zinc/38/99/50/978389950.db2.gz GBKLOOMSVNWFSM-UHFFFAOYSA-N -1 0 397.343 3.097 20 50 GGGDRM CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000737348859 978398149 /nfs/dbraw/zinc/39/81/49/978398149.db2.gz UVMJNXDMTIFXMP-KRWDZBQOSA-N -1 0 381.881 3.304 20 50 GGGDRM CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000737348860 978398230 /nfs/dbraw/zinc/39/82/30/978398230.db2.gz UVMJNXDMTIFXMP-QGZVFWFLSA-N -1 0 381.881 3.304 20 50 GGGDRM CN(CCCC(=O)NNc1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000737427030 978408029 /nfs/dbraw/zinc/40/80/29/978408029.db2.gz MVOSTABSWVDGEZ-UHFFFAOYSA-N -1 0 398.179 3.301 20 50 GGGDRM CN(Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1)C(=O)[O-] ZINC000737485866 978410155 /nfs/dbraw/zinc/41/01/55/978410155.db2.gz JIAGSEYQEPRLID-UHFFFAOYSA-N -1 0 382.869 3.379 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(CC(=O)[O-])c2)c1C ZINC000737747384 978441327 /nfs/dbraw/zinc/44/13/27/978441327.db2.gz LXZUEKZZHRBYRZ-VUQQOUJSSA-N -1 0 396.443 3.452 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000737826901 978447996 /nfs/dbraw/zinc/44/79/96/978447996.db2.gz PIXDHIUAZBIXAB-UYRXBGFRSA-N -1 0 395.459 3.314 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)ccc2C(=O)[O-])c1C ZINC000737826690 978448085 /nfs/dbraw/zinc/44/80/85/978448085.db2.gz MZFKHGHHMSTIGK-YBEGLDIGSA-N -1 0 397.431 3.004 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2C(=O)[O-])c1C ZINC000737826686 978448178 /nfs/dbraw/zinc/44/81/78/978448178.db2.gz MZFKHGHHMSTIGK-MHWRWJLKSA-N -1 0 397.431 3.004 20 50 GGGDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1c(C)nn(CCCl)c1C ZINC000737877875 978452020 /nfs/dbraw/zinc/45/20/20/978452020.db2.gz JCYGHWHVTJHOKG-FNORWQNLSA-N -1 0 378.812 3.064 20 50 GGGDRM COc1ccc(C(=O)[O-])c(OS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000737948954 978462803 /nfs/dbraw/zinc/46/28/03/978462803.db2.gz PWHBXQCMQLGOAT-UHFFFAOYSA-N -1 0 384.837 3.333 20 50 GGGDRM COc1ccc2nc(C)c(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2c1 ZINC000738078394 978473508 /nfs/dbraw/zinc/47/35/08/978473508.db2.gz FCYXBUUOYCBLQX-UHFFFAOYSA-N -1 0 382.328 3.377 20 50 GGGDRM COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1OC(F)F ZINC000738090961 978475525 /nfs/dbraw/zinc/47/55/25/978475525.db2.gz VUSXDXOTHGHRIY-UHFFFAOYSA-N -1 0 383.259 3.122 20 50 GGGDRM Cc1[nH]c(C(=O)NNc2c(F)cc(F)cc2Br)c(C)c1C(=O)[O-] ZINC000738155054 978487594 /nfs/dbraw/zinc/48/75/94/978487594.db2.gz ATQLMOUXGXEHTA-UHFFFAOYSA-N -1 0 388.168 3.127 20 50 GGGDRM Cc1nc(-c2ccccn2)nc(NNC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738228103 978503477 /nfs/dbraw/zinc/50/34/77/978503477.db2.gz MPPISHYURJKVRB-UHFFFAOYSA-N -1 0 378.392 3.002 20 50 GGGDRM Cc1cc(NNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Br ZINC000738240556 978505914 /nfs/dbraw/zinc/50/59/14/978505914.db2.gz PEUKEWRWKUAEPU-UHFFFAOYSA-N -1 0 394.181 3.121 20 50 GGGDRM Cc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1Cc1ccccc1 ZINC000738285280 978511008 /nfs/dbraw/zinc/51/10/08/978511008.db2.gz AXKSUBCUMBZJFO-UHFFFAOYSA-N -1 0 381.344 3.065 20 50 GGGDRM Cc1c(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(C#N)n1C ZINC000738289402 978512611 /nfs/dbraw/zinc/51/26/11/978512611.db2.gz PUTKNSDIRUMGAJ-OQLLNIDSSA-N -1 0 376.416 3.113 20 50 GGGDRM Cc1cc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1-c1ccccc1 ZINC000738332628 978517623 /nfs/dbraw/zinc/51/76/23/978517623.db2.gz LRGIUHAHHDAUMV-HXUWFJFHSA-N -1 0 388.427 3.026 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc(C)c1OCC(=O)[O-] ZINC000738378275 978528174 /nfs/dbraw/zinc/52/81/74/978528174.db2.gz DBPLKAIAYPASFS-AUWJEWJLSA-N -1 0 396.365 3.227 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC000738378778 978529936 /nfs/dbraw/zinc/52/99/36/978529936.db2.gz JCMKLULHAVAXRT-GYXHFJGISA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1F ZINC000738379274 978530466 /nfs/dbraw/zinc/53/04/66/978530466.db2.gz NRKCVNKYQKHHIO-OMJMQIJPSA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379637 978530506 /nfs/dbraw/zinc/53/05/06/978530506.db2.gz ONGXKTNSDQBWLF-LFIBNONCSA-N -1 0 383.423 3.462 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)n1CC(C)C ZINC000738379269 978530518 /nfs/dbraw/zinc/53/05/18/978530518.db2.gz QMKFMCWLYNPMLE-SZVPOVDMSA-N -1 0 383.492 3.381 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379792 978530570 /nfs/dbraw/zinc/53/05/70/978530570.db2.gz RDHZMYJYSZNDJL-OMJMQIJPSA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379795 978530591 /nfs/dbraw/zinc/53/05/91/978530591.db2.gz RDHZMYJYSZNDJL-VGSSETLESA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccccc1F ZINC000738380309 978531311 /nfs/dbraw/zinc/53/13/11/978531311.db2.gz WYRMWBKFZDHTBI-WJDWOHSUSA-N -1 0 383.423 3.462 20 50 GGGDRM Cc1ccc(-c2nc(CC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cs2)o1 ZINC000738491804 978547147 /nfs/dbraw/zinc/54/71/47/978547147.db2.gz CITNTGZMEAGQGW-UHFFFAOYSA-N -1 0 388.357 3.466 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738497952 978547164 /nfs/dbraw/zinc/54/71/64/978547164.db2.gz IEOGEWCMHFBOLB-VUQQOUJSSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738497951 978547356 /nfs/dbraw/zinc/54/73/56/978547356.db2.gz IEOGEWCMHFBOLB-SKCQWOFPSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738550121 978553889 /nfs/dbraw/zinc/55/38/89/978553889.db2.gz FNXNPWQYBLTCDS-UHFFFAOYSA-N -1 0 385.420 3.048 20 50 GGGDRM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738550695 978554426 /nfs/dbraw/zinc/55/44/26/978554426.db2.gz FWDMWIOTJIDKMV-UHFFFAOYSA-N -1 0 385.420 3.048 20 50 GGGDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(F)cc1 ZINC000738563216 978560870 /nfs/dbraw/zinc/56/08/70/978560870.db2.gz UWQMWSCZTJBKLB-QGZVFWFLSA-N -1 0 399.871 3.491 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)NCCSCC(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000738680992 978586742 /nfs/dbraw/zinc/58/67/42/978586742.db2.gz MQQSGSFIJYBUBT-WOJGMQOQSA-N -1 0 397.500 3.244 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000738681319 978586866 /nfs/dbraw/zinc/58/68/66/978586866.db2.gz TUYIUHCFZBRGJK-VUQQOUJSSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])c2cccc(C)n2)c(C)n1CC(C)C ZINC000738720589 978596754 /nfs/dbraw/zinc/59/67/54/978596754.db2.gz CYKKDXWFDAQOTO-VXLYETTFSA-N -1 0 394.475 3.489 20 50 GGGDRM Cc1cccc(O[C@@H](C)C(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000738734161 978598082 /nfs/dbraw/zinc/59/80/82/978598082.db2.gz JKUYQQWHMWVQMD-GUYCJALGSA-N -1 0 376.840 3.171 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756414 978600390 /nfs/dbraw/zinc/60/03/90/978600390.db2.gz MNDNJSFGBMZYGG-BKQORJHRSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756416 978600596 /nfs/dbraw/zinc/60/05/96/978600596.db2.gz MNDNJSFGBMZYGG-MXDDHBLUSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000738923576 978609686 /nfs/dbraw/zinc/60/96/86/978609686.db2.gz XQHDEFMUVCCCHK-UHFFFAOYSA-N -1 0 386.496 3.031 20 50 GGGDRM Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738958167 978610611 /nfs/dbraw/zinc/61/06/11/978610611.db2.gz TVOXXCIXUYXROB-UHFFFAOYSA-N -1 0 388.357 3.466 20 50 GGGDRM N#Cc1ccc([C@H](NNC(=O)c2cc3c(s2)CCCCCC3)C(=O)[O-])cc1 ZINC000739105365 978617551 /nfs/dbraw/zinc/61/75/51/978617551.db2.gz GJMMDOXGPOCDGP-SFHVURJKSA-N -1 0 383.473 3.339 20 50 GGGDRM O=C([O-])[C@@H](NNC(=O)c1ccccc1Br)c1cccc(Cl)c1 ZINC000739453032 978636128 /nfs/dbraw/zinc/63/61/28/978636128.db2.gz AKMKXVXSPGWIIM-ZDUSSCGKSA-N -1 0 383.629 3.163 20 50 GGGDRM O=C([O-])COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000739822845 978655208 /nfs/dbraw/zinc/65/52/08/978655208.db2.gz BLBRGJQCOSJLAG-UHFFFAOYSA-N -1 0 396.149 3.040 20 50 GGGDRM O=C([O-])COc1cccc(C(=O)NNc2ccc(Br)cc2Cl)c1 ZINC000739826480 978655757 /nfs/dbraw/zinc/65/57/57/978655757.db2.gz SOGMAELVBNFULG-UHFFFAOYSA-N -1 0 399.628 3.323 20 50 GGGDRM O=C([O-])Nc1ccc(CCNS(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000740025718 978663271 /nfs/dbraw/zinc/66/32/71/978663271.db2.gz VCCUZUGHEYSQJS-UHFFFAOYSA-N -1 0 382.869 3.079 20 50 GGGDRM O=C([O-])c1cc(OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)ccc1[N+](=O)[O-] ZINC000740088055 978667350 /nfs/dbraw/zinc/66/73/50/978667350.db2.gz PGLJIMHWNJSPCJ-JTQLQIEISA-N -1 0 377.736 3.103 20 50 GGGDRM O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000740186963 978671660 /nfs/dbraw/zinc/67/16/60/978671660.db2.gz SRKVHVIAABZMKG-UHFFFAOYSA-N -1 0 399.808 3.232 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3ccccc3Cl)c2)ccc1[N+](=O)[O-] ZINC000740306539 978674484 /nfs/dbraw/zinc/67/44/84/978674484.db2.gz BTZKTZSHQVCXGY-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000740307111 978674887 /nfs/dbraw/zinc/67/48/87/978674887.db2.gz JRRKWZVSJVWSRE-HNNXBMFYSA-N -1 0 387.344 3.070 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc3[nH]c(C(F)F)nc3c2)ccc1[N+](=O)[O-] ZINC000740307372 978674957 /nfs/dbraw/zinc/67/49/57/978674957.db2.gz LIRUOLLELDGLSU-UHFFFAOYSA-N -1 0 377.259 3.326 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cc(Cl)nc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000740308612 978675398 /nfs/dbraw/zinc/67/53/98/978675398.db2.gz XPZWDEFHOIVZFI-UHFFFAOYSA-N -1 0 391.767 3.161 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3cccc(Cl)c3)c2)ccc1[N+](=O)[O-] ZINC000740308013 978675462 /nfs/dbraw/zinc/67/54/62/978675462.db2.gz RLZPYOAFHCCCPZ-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3ccc(C(=O)[O-])[nH]3)cc12 ZINC000749807865 978689328 /nfs/dbraw/zinc/68/93/28/978689328.db2.gz PRYVUKRBWAXDGU-UHFFFAOYSA-N -1 0 393.428 3.186 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)CC2(CC(=O)[O-])CCCC2)c(C)n1-c1ccccc1 ZINC000767074742 978732992 /nfs/dbraw/zinc/73/29/92/978732992.db2.gz CQNHIVIBRWUCIG-UHFFFAOYSA-N -1 0 397.475 3.280 20 50 GGGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794684445 978814620 /nfs/dbraw/zinc/81/46/20/978814620.db2.gz BMHHYGHJPFCHBH-KWWJGWKXSA-N -1 0 393.399 3.043 20 50 GGGDRM COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000794685823 978814952 /nfs/dbraw/zinc/81/49/52/978814952.db2.gz KHGYQYUAZJNGHO-LERPTODRSA-N -1 0 396.399 3.101 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794691150 978817045 /nfs/dbraw/zinc/81/70/45/978817045.db2.gz MLRKRADIEAPKFG-WFSQQTBHSA-N -1 0 384.819 3.415 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794691146 978817067 /nfs/dbraw/zinc/81/70/67/978817067.db2.gz MLRKRADIEAPKFG-BPKVKKHESA-N -1 0 384.819 3.415 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000794911576 978828567 /nfs/dbraw/zinc/82/85/67/978828567.db2.gz JHTSCUHRVHTEEW-NSHDSACASA-N -1 0 393.346 3.296 20 50 GGGDRM CCOc1ccc(O[C@@H](C)C(=O)NN=C(C)c2cc(C(=O)[O-])cs2)cc1 ZINC000814747277 978879446 /nfs/dbraw/zinc/87/94/46/978879446.db2.gz NLAFIPFSAWHEIM-LBPRGKRZSA-N -1 0 376.434 3.153 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814751845 978880473 /nfs/dbraw/zinc/88/04/73/978880473.db2.gz UJAADYFJUHYSEY-GRYCIOLGSA-N -1 0 397.269 3.209 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814751846 978880724 /nfs/dbraw/zinc/88/07/24/978880724.db2.gz UJAADYFJUHYSEY-SDDRHHMPSA-N -1 0 397.269 3.209 20 50 GGGDRM CCCOc1ccc(C(=O)NN=C(C)c2cc(C(=O)[O-])cs2)cc1OC ZINC000814755046 978881497 /nfs/dbraw/zinc/88/14/97/978881497.db2.gz HVGGGNXFKFRVAH-UHFFFAOYSA-N -1 0 376.434 3.398 20 50 GGGDRM COc1ccc(C(=O)NN=C(C)c2cc(C(=O)[O-])cs2)cc1Br ZINC000814847216 978892206 /nfs/dbraw/zinc/89/22/06/978892206.db2.gz DZMDWHXMBDGEPC-UHFFFAOYSA-N -1 0 397.250 3.371 20 50 GGGDRM COc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1Br ZINC000814845992 978892639 /nfs/dbraw/zinc/89/26/39/978892639.db2.gz BWEWGFMOKWWPEQ-NXEZZACHSA-N -1 0 383.242 3.064 20 50 GGGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814874409 978895387 /nfs/dbraw/zinc/89/53/87/978895387.db2.gz PLQKYGFLJQWUSV-QWHCGFSZSA-N -1 0 388.493 3.141 20 50 GGGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccc(F)cc1 ZINC000823357957 978938181 /nfs/dbraw/zinc/93/81/81/978938181.db2.gz HXEZDVUTSLBPER-IHQJAULKSA-N -1 0 384.245 3.064 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1ccc(CC(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001595070380 979338651 /nfs/dbraw/zinc/33/86/51/979338651.db2.gz NXYMSXIQLRMUDU-UHFFFAOYSA-N -1 0 393.484 3.088 20 50 GGGDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)[O-] ZINC001592838059 979584981 /nfs/dbraw/zinc/58/49/81/979584981.db2.gz IBRYYULESBZOQJ-XIJQHFHMSA-N -1 0 384.819 3.155 20 50 GGGDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)Cc2ccccc21 ZINC000853025300 979593505 /nfs/dbraw/zinc/59/35/05/979593505.db2.gz XPQOTYVZIAZPSU-SFHVURJKSA-N -1 0 393.892 3.231 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)Oc1ccccc1F ZINC001595149604 979636028 /nfs/dbraw/zinc/63/60/28/979636028.db2.gz HVMVEKUBNAKGSC-NSHDSACASA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1ccccc1C ZINC001595150583 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391.399 3.319 20 50 GGGDRM CC[C@@H](OCCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001595356460 980711875 /nfs/dbraw/zinc/71/18/75/980711875.db2.gz KHLJRKSDZAHFHM-QGZVFWFLSA-N -1 0 375.400 3.318 20 50 GGGDRM CC[C@H](OCCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001595356459 980711905 /nfs/dbraw/zinc/71/19/05/980711905.db2.gz KHLJRKSDZAHFHM-KRWDZBQOSA-N -1 0 375.400 3.318 20 50 GGGDRM CC[C@@]1(CNC(=O)NNc2cccc(C(=O)[O-])c2F)OCCc2ccccc21 ZINC001595378745 980915481 /nfs/dbraw/zinc/91/54/81/980915481.db2.gz LFWRSNZLWZLTEH-FQEVSTJZSA-N -1 0 387.411 3.028 20 50 GGGDRM CC[C@@H]1[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C ZINC001595404910 980983746 /nfs/dbraw/zinc/98/37/46/980983746.db2.gz MJOTYFPTVBCMGH-DZGCQCFKSA-N -1 0 395.431 3.003 20 50 GGGDRM CC[C@H]1[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC001595405218 980985316 /nfs/dbraw/zinc/98/53/16/980985316.db2.gz PYROYDOYVBSLQW-HOCLYGCPSA-N -1 0 391.468 3.172 20 50 GGGDRM 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C=CCOc1ccc(/C=C/C(=O)NNc2cccc(C(=O)[O-])c2C)cc1OC ZINC001588874548 984448563 /nfs/dbraw/zinc/44/85/63/984448563.db2.gz AWXGWVXJLZHCEQ-PKNBQFBNSA-N -1 0 382.416 3.423 20 50 GGGDRM C=CCOc1ccc(/C=C/C(=O)NNc2cccc(F)c2C(=O)[O-])cc1OC ZINC001588875142 984450993 /nfs/dbraw/zinc/45/09/93/984450993.db2.gz XXDPHYLXWCETND-CSKARUKUSA-N -1 0 386.379 3.254 20 50 GGGDRM C/C(=C\C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccccc1Cl ZINC001588933641 984612819 /nfs/dbraw/zinc/61/28/19/984612819.db2.gz VPLWNLOFMOUART-DHZHZOJOSA-N -1 0 379.869 3.337 20 50 GGGDRM CCOC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001596680996 984769538 /nfs/dbraw/zinc/76/95/38/984769538.db2.gz MDURARSJJOFNFY-UHFFFAOYSA-N -1 0 377.784 3.364 20 50 GGGDRM CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(OCC(=O)[O-])cc1 ZINC001589012434 984992866 /nfs/dbraw/zinc/99/28/66/984992866.db2.gz KYUHGGHRUFRNKG-LBPRGKRZSA-N -1 0 386.473 3.490 20 50 GGGDRM CC(=NNC(=O)OCC(F)(F)F)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589012540 984993581 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DVXKVPDSVGZDQS-WJDWOHSUSA-N -1 0 380.400 3.354 20 50 GGGDRM CCOc1ccc(Cl)cc1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001597106372 986748512 /nfs/dbraw/zinc/74/85/12/986748512.db2.gz QGJQIVGIRHMQKC-UHFFFAOYSA-N -1 0 377.828 3.306 20 50 GGGDRM CCOc1ccc(OCCCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC001597132781 986858917 /nfs/dbraw/zinc/85/89/17/986858917.db2.gz PVLLMYMIBLJUCH-UHFFFAOYSA-N -1 0 389.360 3.456 20 50 GGGDRM CCOc1nc(C(F)(F)F)ccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597192850 987076143 /nfs/dbraw/zinc/07/61/43/987076143.db2.gz ZVTHVSCEBHJRLK-UHFFFAOYSA-N -1 0 387.289 3.093 20 50 GGGDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001594725247 987228606 /nfs/dbraw/zinc/22/86/06/987228606.db2.gz PLZVEAWJIZAIGC-CYBMUJFWSA-N -1 0 386.383 3.031 20 50 GGGDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594725392 987231295 /nfs/dbraw/zinc/23/12/95/987231295.db2.gz UTSKYMLDJHBECQ-CQSZACIVSA-N -1 0 386.383 3.031 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001594735795 987271807 /nfs/dbraw/zinc/27/18/07/987271807.db2.gz HUVBTSNGWOCHPU-ZDUSSCGKSA-N -1 0 375.812 3.385 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001594735794 987271945 /nfs/dbraw/zinc/27/19/45/987271945.db2.gz HUVBTSNGWOCHPU-CYBMUJFWSA-N -1 0 375.812 3.385 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccccc1 ZINC001594736072 987273771 /nfs/dbraw/zinc/27/37/71/987273771.db2.gz JGZWASFPTQWSPH-CYBMUJFWSA-N -1 0 375.450 3.410 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001594737173 987279851 /nfs/dbraw/zinc/27/98/51/987279851.db2.gz RFNYLPZQXXFUGG-AWEZNQCLSA-N -1 0 380.404 3.213 20 50 GGGDRM CC(C)(C(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001589575055 987351666 /nfs/dbraw/zinc/35/16/66/987351666.db2.gz WNVYGSYAYFNDLA-UHFFFAOYSA-N -1 0 375.812 3.169 20 50 GGGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 ZINC001589599641 987422988 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CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCCCC(=O)[O-])cc2C1 ZINC001589734233 987978109 /nfs/dbraw/zinc/97/81/09/987978109.db2.gz FOCIERJOQNLWKS-CYBMUJFWSA-N -1 0 380.510 3.305 20 50 GGGDRM CSc1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)ccc1Br ZINC001599806467 988263572 /nfs/dbraw/zinc/26/35/72/988263572.db2.gz GFMQSHRESFBQFB-UHFFFAOYSA-N -1 0 382.239 3.021 20 50 GGGDRM CC(C)(C)NC(=O)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001589830779 988300903 /nfs/dbraw/zinc/30/09/03/988300903.db2.gz VFZGEIQMZIMIMJ-UHFFFAOYSA-N -1 0 388.399 3.201 20 50 GGGDRM CC(C)(C)OC(=O)C1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2F)CC1 ZINC001589860242 988426966 /nfs/dbraw/zinc/42/69/66/988426966.db2.gz NVNDWPLVHHLUCY-UHFFFAOYSA-N -1 0 395.431 3.051 20 50 GGGDRM CCc1cccc2c(CCNC(=O)NNc3ccc(C(=O)[O-])cc3F)c[nH]c21 ZINC001597603309 988463785 /nfs/dbraw/zinc/46/37/85/988463785.db2.gz UKKJOPKRCZUAIN-UHFFFAOYSA-N -1 0 384.411 3.436 20 50 GGGDRM CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NNc2cccc(C(=O)[O-])c2F)co1 ZINC001589866218 988467129 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CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001590031287 989036191 /nfs/dbraw/zinc/03/61/91/989036191.db2.gz NLZKCMODWIVKTQ-AWEZNQCLSA-N -1 0 395.431 3.147 20 50 GGGDRM CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2C1 ZINC001590098853 989234506 /nfs/dbraw/zinc/23/45/06/989234506.db2.gz GCLAYAAEURUTBV-UHFFFAOYSA-N -1 0 397.431 3.392 20 50 GGGDRM CC(C)(C)OC(=O)N[C@H](CC(=O)NNc1ccc(CC(=O)[O-])cc1)C(C)(C)C ZINC001590117079 989318996 /nfs/dbraw/zinc/31/89/96/989318996.db2.gz OVAGVAZOFIPFFS-OAHLLOKOSA-N -1 0 393.484 3.086 20 50 GGGDRM CC(C)(C)OC(=O)NC1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC001590125814 989365624 /nfs/dbraw/zinc/36/56/24/989365624.db2.gz TUDDSDOYFUWKJU-UHFFFAOYSA-N -1 0 395.431 3.195 20 50 GGGDRM CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590146624 989420618 /nfs/dbraw/zinc/42/06/18/989420618.db2.gz BYABDMZIBCXPHG-AAEUAGOBSA-N -1 0 395.431 3.051 20 50 GGGDRM CCc1oc2ccccc2c1CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001597807955 989422553 /nfs/dbraw/zinc/42/25/53/989422553.db2.gz NWANKNKGHMHSEG-UHFFFAOYSA-N -1 0 387.461 3.131 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001590149024 989445797 /nfs/dbraw/zinc/44/57/97/989445797.db2.gz XSVCJXXXGLFMBR-DZGCQCFKSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)NCC1(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)CCCC1 ZINC001590162230 989467678 /nfs/dbraw/zinc/46/76/78/989467678.db2.gz IOATVXHOGCOEII-UHFFFAOYSA-N -1 0 395.431 3.052 20 50 GGGDRM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NNc2cccc(F)c2C(=O)[O-])CC1 ZINC001590286657 989701817 /nfs/dbraw/zinc/70/18/17/989701817.db2.gz RPUPQJCUICUBLY-TXEJJXNPSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccoc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590319717 989756589 /nfs/dbraw/zinc/75/65/89/989756589.db2.gz LSIHIKXDQHHEDI-UHFFFAOYSA-N -1 0 379.344 3.221 20 50 GGGDRM CC(C)(C)OC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC001590364333 989828000 /nfs/dbraw/zinc/82/80/00/989828000.db2.gz 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GGGDRM O=C([O-])c1cc(OC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)ccc1[N+](=O)[O-] ZINC000833353516 604863273 /nfs/dbraw/zinc/86/32/73/604863273.db2.gz NOFXHZFCWLRDCJ-UHFFFAOYSA-N -1 0 396.311 3.102 20 50 GGGDRM O=C([O-])c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1F ZINC000833353907 604887002 /nfs/dbraw/zinc/88/70/02/604887002.db2.gz YBHMDXPYJLWILZ-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC000833149057 604925349 /nfs/dbraw/zinc/92/53/49/604925349.db2.gz ZAQUJTZLJOWGPZ-UHFFFAOYSA-N -1 0 387.245 3.208 20 50 GGGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)COc1ccccc1-c1ccccc1 ZINC000833406946 605038173 /nfs/dbraw/zinc/03/81/73/605038173.db2.gz KUGICBKLDZYLST-INIZCTEOSA-N -1 0 391.427 3.330 20 50 GGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC000833540297 605038509 /nfs/dbraw/zinc/03/85/09/605038509.db2.gz SKCUEXNYPKKIKL-HUUCEWRRSA-N -1 0 379.416 3.205 20 50 GGGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000833405280 605038828 /nfs/dbraw/zinc/03/88/28/605038828.db2.gz CPDCRJUEODKBLF-AWEZNQCLSA-N -1 0 381.388 3.070 20 50 GGGDRM CCOc1cc(C(=O)NN=c2[nH]c3ccccc3cc2C)ccc1OCC(=O)[O-] ZINC000833663567 605236591 /nfs/dbraw/zinc/23/65/91/605236591.db2.gz RRYWVGHVKVHLPI-UHFFFAOYSA-N -1 0 395.415 3.162 20 50 GGGDRM CC(=O)N[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C)cc1 ZINC000833394642 605244861 /nfs/dbraw/zinc/24/48/61/605244861.db2.gz CMCJHLPTIGPVES-KRWDZBQOSA-N -1 0 389.839 3.057 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833440318 605245678 /nfs/dbraw/zinc/24/56/78/605245678.db2.gz WYZJGZLPMUMDKZ-LBPRGKRZSA-N -1 0 397.859 3.271 20 50 GGGDRM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833440034 605245690 /nfs/dbraw/zinc/24/56/90/605245690.db2.gz DFZASHBKNONPRF-QWRGUYRKSA-N -1 0 397.859 3.175 20 50 GGGDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833602781 605246155 /nfs/dbraw/zinc/24/61/55/605246155.db2.gz BLXSRWPBSBHBJI-BONVTDFDSA-N -1 0 387.823 3.390 20 50 GGGDRM CC1(C)Cc2ccc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)c(O)c2O1 ZINC000833561999 605247755 /nfs/dbraw/zinc/24/77/55/605247755.db2.gz CDSBJJUJOKAZCV-UHFFFAOYSA-N -1 0 376.796 3.214 20 50 GGGDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833605771 605247925 /nfs/dbraw/zinc/24/79/25/605247925.db2.gz RWVWXGATOOXNKY-BMIGLBTASA-N -1 0 387.823 3.390 20 50 GGGDRM CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833399542 605248491 /nfs/dbraw/zinc/24/84/91/605248491.db2.gz GEPAVZGPVVFMJP-UHFFFAOYSA-N -1 0 382.203 3.407 20 50 GGGDRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833539049 605260475 /nfs/dbraw/zinc/26/04/75/605260475.db2.gz JNTCTMDFEDFTSV-SECBINFHSA-N -1 0 397.200 3.197 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833541171 605282126 /nfs/dbraw/zinc/28/21/26/605282126.db2.gz ZYXNLOPMCBLATO-JTQLQIEISA-N -1 0 379.210 3.058 20 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605711831 /nfs/dbraw/zinc/71/18/31/605711831.db2.gz ZMHMABIOCLPBGY-UHFFFAOYSA-N -1 0 386.477 3.395 20 50 GGGDRM CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833490392 605721266 /nfs/dbraw/zinc/72/12/66/605721266.db2.gz DKLMPILAXJSYGD-UHFFFAOYSA-N -1 0 394.431 3.362 20 50 GGGDRM CC(C)c1nc(C(=O)NNc2ccccc2C(=O)[O-])nn1-c1ccccc1Cl ZINC000833512157 605722069 /nfs/dbraw/zinc/72/20/69/605722069.db2.gz JSDYBXAGIYBONV-UHFFFAOYSA-N -1 0 399.838 3.499 20 50 GGGDRM CC(C)(C)OC(=O)N(CC(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833433619 605723001 /nfs/dbraw/zinc/72/30/01/605723001.db2.gz DAUPVPQGYDKVJI-UHFFFAOYSA-N -1 0 385.420 3.270 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC(CCC(=O)NNc2ccccc2C(=O)[O-])CC1 ZINC000833435465 605723013 /nfs/dbraw/zinc/72/30/13/605723013.db2.gz JXSBEPGBJVOYEG-UHFFFAOYSA-N -1 0 391.468 3.255 20 50 GGGDRM CCCN(CCC)C(=O)c1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833650788 605724665 /nfs/dbraw/zinc/72/46/65/605724665.db2.gz AJITWITVWWLXGG-UHFFFAOYSA-N -1 0 383.448 3.404 20 50 GGGDRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833537987 605732602 /nfs/dbraw/zinc/73/26/02/605732602.db2.gz AALBVWASACQEHO-SECBINFHSA-N -1 0 397.200 3.197 20 50 GGGDRM CC(C)COc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833490659 605734787 /nfs/dbraw/zinc/73/47/87/605734787.db2.gz MLVBEUTUHWSOTL-UHFFFAOYSA-N -1 0 394.431 3.362 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833445437 605734912 /nfs/dbraw/zinc/73/49/12/605734912.db2.gz VOZZKOAJOGJIIG-UHFFFAOYSA-N -1 0 385.420 3.418 20 50 GGGDRM CCc1ccc(-n2nc(C(=O)NNc3cccc(C(=O)[O-])c3)c3c2CCC3)cc1 ZINC000833670371 605735972 /nfs/dbraw/zinc/73/59/72/605735972.db2.gz VJDMZEDVMOMEPQ-UHFFFAOYSA-N -1 0 390.443 3.379 20 50 GGGDRM COc1ccc(CCC(=O)NNc2cccc(C(=O)[O-])c2)cc1Br ZINC000833731658 605738626 /nfs/dbraw/zinc/73/86/26/605738626.db2.gz MLHICQCKMIXHNW-UHFFFAOYSA-N -1 0 393.237 3.232 20 50 GGGDRM Cc1ccc([C@H](Cn2ccnc2)NC(=O)NNc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000833749291 605747334 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377.880 3.355 20 50 GGGDRM CC[C@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(C)cc1 ZINC000825081226 608579482 /nfs/dbraw/zinc/57/94/82/608579482.db2.gz HPDPONIXCGITRJ-GFCCVEGCSA-N -1 0 385.859 3.251 20 50 GGGDRM N#CC(=Cc1csc(-c2ccccn2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379424 1426917948 /nfs/dbraw/zinc/91/79/48/1426917948.db2.gz RCJCFHKMXBRHTP-ZROIWOOFSA-N -1 0 385.412 3.175 20 50 GGGDRM Cc1ccnc(NNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822374186 1427361425 /nfs/dbraw/zinc/36/14/25/1427361425.db2.gz KPQWDCOAVVBADS-UHFFFAOYSA-N -1 0 387.403 3.119 20 50 GGGDRM N#CC(=Cc1cc(Cl)c2c(c1)OCCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378870 1428626968 /nfs/dbraw/zinc/62/69/68/1428626968.db2.gz CKINFTOMNXDEDW-NSIKDUERSA-N -1 0 393.790 3.081 20 50 GGGDRM Cc1nc(C2CCCCC2)sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826323987 1428765399 /nfs/dbraw/zinc/76/53/99/1428765399.db2.gz AGYAYDBFHHLPPG-UHFFFAOYSA-N -1 0 383.481 3.436 20 50 GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000826446216 1428798225 /nfs/dbraw/zinc/79/82/25/1428798225.db2.gz DFHLYULFSWOFML-UHFFFAOYSA-N -1 0 382.855 3.475 20 50 GGGDRM N#Cc1cccc(NNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826387151 1428883133 /nfs/dbraw/zinc/88/31/33/1428883133.db2.gz ISVFTEDFIQXDGY-UHFFFAOYSA-N -1 0 396.414 3.239 20 50 GGGDRM CC(C)Oc1c(Cl)cccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824314788 1428920972 /nfs/dbraw/zinc/92/09/72/1428920972.db2.gz GJVNVRVYBXMFMW-UHFFFAOYSA-N -1 0 387.831 3.456 20 50 GGGDRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824737894 1428949372 /nfs/dbraw/zinc/94/93/72/1428949372.db2.gz KWQYLCCDICJPGR-VIFPVBQESA-N -1 0 393.234 3.084 20 50 GGGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379279 1429264979 /nfs/dbraw/zinc/26/49/79/1429264979.db2.gz NUZBQNMYYGWBRR-UITAMQMPSA-N -1 0 377.257 3.407 20 50 GGGDRM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000826449313 1429271873 /nfs/dbraw/zinc/27/18/73/1429271873.db2.gz 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O=C([O-])c1cccnc1NNC(=O)c1cc(Cl)c(F)cc1Br ZINC001594781767 953635765 /nfs/dbraw/zinc/63/57/65/953635765.db2.gz VLTWXJRFOONIIQ-UHFFFAOYSA-N -1 0 388.580 3.092 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc2cc(Br)ccc2c1 ZINC001594781709 953635923 /nfs/dbraw/zinc/63/59/23/953635923.db2.gz SXZNWPAAJXVSLD-UHFFFAOYSA-N -1 0 386.205 3.452 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC001594781831 953637156 /nfs/dbraw/zinc/63/71/56/953637156.db2.gz JGKSSWINGRJCGY-UHFFFAOYSA-N -1 0 388.277 3.009 20 50 GGGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1c(Br)cccc1Br ZINC001602969661 971961599 /nfs/dbraw/zinc/96/15/99/971961599.db2.gz DZZGBBOREQSNCA-SECBINFHSA-N -1 0 394.063 3.012 20 50 GGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNc1c(Br)cccc1Br ZINC001602969662 971961712 /nfs/dbraw/zinc/96/17/12/971961712.db2.gz DZZGBBOREQSNCA-VIFPVBQESA-N -1 0 394.063 3.012 20 50 GGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001602970132 971967355 /nfs/dbraw/zinc/96/73/55/971967355.db2.gz NBYBIIGDOUYANX-JTQLQIEISA-N -1 0 397.806 3.033 20 50 GGGDRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001593709078 954171870 /nfs/dbraw/zinc/17/18/70/954171870.db2.gz QDNZKWXNRSSNEZ-UHFFFAOYSA-N -1 0 383.330 3.013 20 50 GGGDRM CC(C)[C@@H](CNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001602985384 972015241 /nfs/dbraw/zinc/01/52/41/972015241.db2.gz YYOQJEDMQMSUFY-SECBINFHSA-N -1 0 378.654 3.085 20 50 GGGDRM O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC001594902815 954648162 /nfs/dbraw/zinc/64/81/62/954648162.db2.gz OVUJUDDZIRKPCO-DLBZAZTESA-N -1 0 379.865 3.059 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC001594903148 954651445 /nfs/dbraw/zinc/65/14/45/954651445.db2.gz RUEDTMTXBHDZMQ-QZTJIDSGSA-N -1 0 393.892 3.450 20 50 GGGDRM CCC(CC)(CNC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)C(=O)[O-] ZINC001589481492 954979233 /nfs/dbraw/zinc/97/92/33/954979233.db2.gz DFCQXXFYYGGJJI-YQYFLZKSSA-N -1 0 389.496 3.227 20 50 GGGDRM CC(C)C[C@@H](CNC(=O)NNc1ccc(Br)cc1Cl)C(=O)[O-] ZINC001603010358 972061594 /nfs/dbraw/zinc/06/15/94/972061594.db2.gz GCWABILGIWZMNK-VIFPVBQESA-N -1 0 392.681 3.476 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC001589539680 955191517 /nfs/dbraw/zinc/19/15/17/955191517.db2.gz WUBJKCMHLTUCQR-LURJTMIESA-N -1 0 399.072 3.493 20 50 GGGDRM COCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C ZINC000737768013 955225591 /nfs/dbraw/zinc/22/55/91/955225591.db2.gz LFRWIGFNLFEGNY-LDADJPATSA-N -1 0 387.480 3.077 20 50 GGGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000737825593 955227732 /nfs/dbraw/zinc/22/77/32/955227732.db2.gz AKSBIUWNTOCMEM-SXGWCWSVSA-N -1 0 385.395 3.134 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c2C)cc1 ZINC000737917118 955230167 /nfs/dbraw/zinc/23/01/67/955230167.db2.gz BSYNMDIAIINBNS-XWAFYUISSA-N -1 0 395.459 3.189 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738059948 955231997 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GGGDRM C[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848596497 955770994 /nfs/dbraw/zinc/77/09/94/955770994.db2.gz SRIBSZKCMQQDTJ-UHOFOFEASA-N -1 0 389.496 3.064 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNc1c(Cl)cc(Br)cc1Cl)C1CC1 ZINC000852946733 955864015 /nfs/dbraw/zinc/86/40/15/955864015.db2.gz BIEVFNSAAMJPIY-VIFPVBQESA-N -1 0 382.041 3.310 20 50 GGGDRM C[C@@]1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C[C@H]1Br ZINC000857101522 955911953 /nfs/dbraw/zinc/91/19/53/955911953.db2.gz ZPXRJKOEDPDVQX-QAPCUYQASA-N -1 0 395.297 3.447 20 50 GGGDRM C[C@@]1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C[C@@H]1Br ZINC000857101523 955912397 /nfs/dbraw/zinc/91/23/97/955912397.db2.gz ZPXRJKOEDPDVQX-YJBOKZPZSA-N -1 0 395.297 3.447 20 50 GGGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594600597 956121797 /nfs/dbraw/zinc/12/17/97/956121797.db2.gz AACVTSATTBRTBD-GHRIWEEISA-N -1 0 376.412 3.404 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC001593956086 956425490 /nfs/dbraw/zinc/42/54/90/956425490.db2.gz JFUBVEHGMJEGOP-JQFNYASXSA-N -1 0 387.480 3.123 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1C ZINC001593956291 956429386 /nfs/dbraw/zinc/42/93/86/956429386.db2.gz QXWZWXPZOBSHBM-JAYFWEIKSA-N -1 0 387.480 3.074 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001593956357 956430300 /nfs/dbraw/zinc/43/03/00/956430300.db2.gz TWZZZUPQWFWEEF-XAEQJIKFSA-N -1 0 395.459 3.161 20 50 GGGDRM C[C@H](Oc1ccccc1NC(=O)NNc1ncccc1C(=O)[O-])C(F)(F)F ZINC001589168625 956445434 /nfs/dbraw/zinc/44/54/34/956445434.db2.gz JDFXEQXYZMRFDW-VIFPVBQESA-N -1 0 384.314 3.258 20 50 GGGDRM C[C@@H](Oc1ccccc1NC(=O)NNc1ncccc1C(=O)[O-])C(F)(F)F ZINC001589168624 956445487 /nfs/dbraw/zinc/44/54/87/956445487.db2.gz JDFXEQXYZMRFDW-SECBINFHSA-N -1 0 384.314 3.258 20 50 GGGDRM CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3ncccc3C(=O)[O-])c21 ZINC001603115039 972194103 /nfs/dbraw/zinc/19/41/03/972194103.db2.gz MNBLHWMCUJAXOF-UHFFFAOYSA-N -1 0 381.392 3.074 20 50 GGGDRM CC(C)c1noc(-c2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2)n1 ZINC001603115272 972196342 /nfs/dbraw/zinc/19/63/42/972196342.db2.gz XFUIPLVGBFLBLY-UHFFFAOYSA-N -1 0 382.380 3.102 20 50 GGGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC001589205413 956661743 /nfs/dbraw/zinc/66/17/43/956661743.db2.gz LRJKOFWONIWCLA-UHFFFAOYSA-N -1 0 388.251 3.283 20 50 GGGDRM COc1cc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)[O-])ccc1OC(F)F ZINC000003394809 956868569 /nfs/dbraw/zinc/86/85/69/956868569.db2.gz LZCDRPIXZTWOOM-KPKJPENVSA-N -1 0 388.330 3.065 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c(C)n1CC(C)C ZINC001594300455 957901553 /nfs/dbraw/zinc/90/15/53/957901553.db2.gz KEJPTGPSYLVIOO-LICLKQGHSA-N -1 0 397.479 3.323 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC001594300571 957902787 /nfs/dbraw/zinc/90/27/87/957902787.db2.gz OXSYHOOVJSOFEA-GFEYRYLTSA-N -1 0 381.407 3.120 20 50 GGGDRM Cc1cc(NC(=O)NNc2ncccc2C(=O)[O-])ccc1NC(=O)c1ccco1 ZINC001594323337 958141414 /nfs/dbraw/zinc/14/14/14/958141414.db2.gz WDTHFCBJCMUIHD-UHFFFAOYSA-N -1 0 395.375 3.082 20 50 GGGDRM COc1ccc(-c2ccc(C(=O)NNc3ncccc3C(=O)[O-])c(F)c2)c(F)c1 ZINC001594071252 958184815 /nfs/dbraw/zinc/18/48/15/958184815.db2.gz NNBMWNXENWQNRD-UHFFFAOYSA-N -1 0 399.353 3.491 20 50 GGGDRM COc1ccc(Br)c(NNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001594075441 958218988 /nfs/dbraw/zinc/21/89/88/958218988.db2.gz QUZVJYUFOOJELV-UHFFFAOYSA-N -1 0 398.188 3.444 20 50 GGGDRM C#CCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001573318655 958466810 /nfs/dbraw/zinc/46/68/10/958466810.db2.gz QDZMJAHFWLXFFR-GZTJUZNOSA-N -1 0 395.846 3.201 20 50 GGGDRM Cc1ccc(Cc2ccccn2)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594362888 958467172 /nfs/dbraw/zinc/46/71/72/958467172.db2.gz UDRSKMMIDYAUQD-UHFFFAOYSA-N -1 0 377.404 3.223 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC001605725720 972353972 /nfs/dbraw/zinc/35/39/72/972353972.db2.gz NELNSQQGVFURCT-UHFFFAOYSA-N -1 0 393.447 3.321 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386651 958681098 /nfs/dbraw/zinc/68/10/98/958681098.db2.gz SIFMVGSTSYRLQU-WAKXPGHKSA-N -1 0 377.444 3.243 20 50 GGGDRM Cc1cccc(C(C)C)c1NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594390275 958704857 /nfs/dbraw/zinc/70/48/57/958704857.db2.gz ITBSBNDXQDYUFH-SFHVURJKSA-N -1 0 380.448 3.281 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001573462838 958922446 /nfs/dbraw/zinc/92/24/46/958922446.db2.gz PEQTXQGKLBUCSH-OAHLLOKOSA-N -1 0 385.577 3.271 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C ZINC001594413914 958979763 /nfs/dbraw/zinc/97/97/63/958979763.db2.gz ORVBLTRYOJWCAD-GNTJEMSZSA-N -1 0 377.444 3.289 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Nc1ccccc1C(=O)[O-] ZINC001594443842 959312232 /nfs/dbraw/zinc/31/22/32/959312232.db2.gz XFIFFDNNVQWKTJ-UHFFFAOYSA-N -1 0 396.428 3.283 20 50 GGGDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594443994 959314377 /nfs/dbraw/zinc/31/43/77/959314377.db2.gz DJHXMCSFYUNUQD-UHFFFAOYSA-N -1 0 390.371 3.247 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C3(CC(=O)[O-])CCC3)cc2C1 ZINC001588644076 959722027 /nfs/dbraw/zinc/72/20/27/959722027.db2.gz ZVRLWYJQYOTBLG-ZDUSSCGKSA-N -1 0 392.521 3.305 20 50 GGGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC001573784602 960730870 /nfs/dbraw/zinc/73/08/70/960730870.db2.gz GJQVLVZLNCIFEF-UHFFFAOYSA-N -1 0 395.415 3.147 20 50 GGGDRM CC[C@H](CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC001573791098 960751592 /nfs/dbraw/zinc/75/15/92/960751592.db2.gz FTGZOMNBCDCNBN-ZXMBATIKSA-N -1 0 383.423 3.367 20 50 GGGDRM CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC001573791097 960751945 /nfs/dbraw/zinc/75/19/45/960751945.db2.gz FTGZOMNBCDCNBN-HAKPAVFJSA-N -1 0 383.423 3.367 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1 ZINC001588739468 961152271 /nfs/dbraw/zinc/15/22/71/961152271.db2.gz OOIDUZMFHJRWRB-OWCLPIDISA-N -1 0 385.577 3.269 20 50 GGGDRM CC(C)(C)c1ccc(NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cc1 ZINC001588741074 961166644 /nfs/dbraw/zinc/16/66/44/961166644.db2.gz LBNRANYXAJFJQO-GOSISDBHSA-N -1 0 380.448 3.147 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573920439 961532835 /nfs/dbraw/zinc/53/28/35/961532835.db2.gz ZJEAOJKSSFJDSU-DAKPFUFHSA-N -1 0 378.428 3.151 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573952076 961646940 /nfs/dbraw/zinc/64/69/40/961646940.db2.gz CTFJZUFATFUBPL-UHFFFAOYSA-N -1 0 393.237 3.232 20 50 GGGDRM CC(C)[C@@H](CNC(=O)NNc1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588825083 961665309 /nfs/dbraw/zinc/66/53/09/961665309.db2.gz PLTQIHDDAPGOGI-SECBINFHSA-N -1 0 378.654 3.085 20 50 GGGDRM CC(C)CCOc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1F ZINC001588868110 962038837 /nfs/dbraw/zinc/03/88/37/962038837.db2.gz WHHBXCJVMZWZAD-UHFFFAOYSA-N -1 0 376.388 3.492 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001588868128 962040645 /nfs/dbraw/zinc/04/06/45/962040645.db2.gz XCTZRNWALZWWGC-UHFFFAOYSA-N -1 0 385.420 3.276 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Cl)cc1Br)C1CCCC1 ZINC001574617725 962237081 /nfs/dbraw/zinc/23/70/81/962237081.db2.gz UWSPUGNHWJGTFA-GFCCVEGCSA-N -1 0 375.650 3.437 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001574709379 962695389 /nfs/dbraw/zinc/69/53/89/962695389.db2.gz DVQQBYJOPWLPIQ-UHFFFAOYSA-N -1 0 378.772 3.414 20 50 GGGDRM COc1cc(C(=O)NNc2ncccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC001574177429 962799160 /nfs/dbraw/zinc/79/91/60/962799160.db2.gz DATHNSLYTYNMLI-UHFFFAOYSA-N -1 0 393.399 3.124 20 50 GGGDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(F)cc1 ZINC000776535995 969167553 /nfs/dbraw/zinc/16/75/53/969167553.db2.gz FEJRHVSHYMDTFO-INIZCTEOSA-N -1 0 385.844 3.101 20 50 GGGDRM C[C@@](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)(C(=O)[O-])c1ccccc1 ZINC000799251354 969178757 /nfs/dbraw/zinc/17/87/57/969178757.db2.gz RSHUPEGEDKZDHX-BAGBSZHRSA-N -1 0 380.282 3.099 20 50 GGGDRM C[C@](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)(C(=O)[O-])c1ccccc1 ZINC000799251356 969178854 /nfs/dbraw/zinc/17/88/54/969178854.db2.gz RSHUPEGEDKZDHX-MZTNWIODSA-N -1 0 380.282 3.099 20 50 GGGDRM C[C@@H](CNC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC000848585455 969265853 /nfs/dbraw/zinc/26/58/53/969265853.db2.gz LVCZWZSVKYJPKG-YFKPBYRVSA-N -1 0 385.045 3.103 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(Br)c(Cl)c1 ZINC001605820944 972551095 /nfs/dbraw/zinc/55/10/95/972551095.db2.gz MYQYOPVABMHKOF-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001605821197 972553121 /nfs/dbraw/zinc/55/31/21/972553121.db2.gz WMTZHKCCIWQQDV-UHFFFAOYSA-N -1 0 395.802 3.421 20 50 GGGDRM O=C([O-])[C@H](C(=O)NNc1cc(Cl)ccc1Br)C1CCCC1 ZINC001605897953 972706582 /nfs/dbraw/zinc/70/65/82/972706582.db2.gz DVMGNHMMMPVHLX-LBPRGKRZSA-N -1 0 375.650 3.437 20 50 GGGDRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccc(F)cc1 ZINC001605909585 972764228 /nfs/dbraw/zinc/76/42/28/972764228.db2.gz FEJRHVSHYMDTFO-MRXNPFEDSA-N -1 0 385.844 3.101 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605163775 972855548 /nfs/dbraw/zinc/85/55/48/972855548.db2.gz FUWPNDNZPGAHEU-DISPHTKASA-N -1 0 381.407 3.073 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001605163782 972855825 /nfs/dbraw/zinc/85/58/25/972855825.db2.gz GDKBVZUSWBEXLC-NVNXTCNLSA-N -1 0 383.835 3.198 20 50 GGGDRM Cc1ccc(-n2ncc(C(=O)NNc3ncccc3C(=O)[O-])c2C(C)C)cc1 ZINC001605242871 973002560 /nfs/dbraw/zinc/00/25/60/973002560.db2.gz JURPFNHMIZLDCE-UHFFFAOYSA-N -1 0 379.420 3.154 20 50 GGGDRM Cc1cccc(C(=O)Nc2ccccc2C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001605320585 973156151 /nfs/dbraw/zinc/15/61/51/973156151.db2.gz SVCZMCHHWZHWBS-UHFFFAOYSA-N -1 0 390.399 3.097 20 50 GGGDRM Cc1ccccc1COc1cccc(CC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001605356340 973270824 /nfs/dbraw/zinc/27/08/24/973270824.db2.gz PYJYYKPBHALMGV-UHFFFAOYSA-N -1 0 391.427 3.353 20 50 GGGDRM Cc1nc(NC(=O)NNc2ncccc2C(=O)[O-])sc1Cc1ccccc1 ZINC001605410685 973413221 /nfs/dbraw/zinc/41/32/21/973413221.db2.gz FSMHDIQSNWQRSQ-UHFFFAOYSA-N -1 0 383.433 3.284 20 50 GGGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001603489313 973424292 /nfs/dbraw/zinc/42/42/92/973424292.db2.gz YWICVBKWTVHQGP-KEWOFRHOSA-N -1 0 395.459 3.331 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC001604514772 973448786 /nfs/dbraw/zinc/44/87/86/973448786.db2.gz LRVTYUVRRIGMBK-WJHGTXIHSA-N -1 0 397.431 3.262 20 50 GGGDRM COCc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1C(F)(F)F ZINC001604641929 973774790 /nfs/dbraw/zinc/77/47/90/973774790.db2.gz CIUJQPHBOOSMQQ-UHFFFAOYSA-N -1 0 384.314 3.094 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001606528551 974035825 /nfs/dbraw/zinc/03/58/25/974035825.db2.gz MCXVFFHTSPCODW-UHFFFAOYSA-N -1 0 399.410 3.389 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001605723493 974155474 /nfs/dbraw/zinc/15/54/74/974155474.db2.gz CXGJNUINCCTLFP-UHFFFAOYSA-N -1 0 388.836 3.243 20 50 GGGDRM CC(C)c1ccc(N2CC[C@H](C(=O)NNc3ccc(C(=O)[O-])c(F)c3)C2=O)cc1 ZINC001591960373 976543822 /nfs/dbraw/zinc/54/38/22/976543822.db2.gz WZLMMRMNDSBWJH-QGZVFWFLSA-N -1 0 399.422 3.144 20 50 GGGDRM CC(C)c1nn(C)cc1NC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592050315 976788279 /nfs/dbraw/zinc/78/82/79/976788279.db2.gz NZHLYEYFNMFDFF-UHFFFAOYSA-N -1 0 396.245 3.153 20 50 GGGDRM CC(C)c1noc2nc(C3CC3)cc(C(=O)NN=c3ccc(C(=O)[O-])c[nH]3)c21 ZINC001592101762 976862846 /nfs/dbraw/zinc/86/28/46/976862846.db2.gz DNBPEFZTDAZVEE-UHFFFAOYSA-N -1 0 381.392 3.074 20 50 GGGDRM CC(C)n1cc2c(n1)[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC001592130381 976958147 /nfs/dbraw/zinc/95/81/47/976958147.db2.gz AATAJIKOGIANQP-OAHLLOKOSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1cc2c(n1)[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)CCC2 ZINC001592130680 976959645 /nfs/dbraw/zinc/95/96/45/976959645.db2.gz FGSLTNPAMPXPTK-AWEZNQCLSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592157026 977032049 /nfs/dbraw/zinc/03/20/49/977032049.db2.gz COFCJAJOJICHHO-UHFFFAOYSA-N -1 0 397.410 3.484 20 50 GGGDRM C[C@@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(F)c(Br)c1 ZINC001592253473 977486017 /nfs/dbraw/zinc/48/60/17/977486017.db2.gz YDQUYKPAAIGLLX-VIFPVBQESA-N -1 0 396.216 3.318 20 50 GGGDRM C[C@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(F)c(Br)c1 ZINC001592253471 977486207 /nfs/dbraw/zinc/48/62/07/977486207.db2.gz YDQUYKPAAIGLLX-SECBINFHSA-N -1 0 396.216 3.318 20 50 GGGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001592391325 977936239 /nfs/dbraw/zinc/93/62/39/977936239.db2.gz HRBBFQUNKOOHSZ-SSDOTTSWSA-N -1 0 383.164 3.412 20 50 GGGDRM C[C@H](CC(=O)[O-])CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001592391822 977939240 /nfs/dbraw/zinc/93/92/40/977939240.db2.gz RWICIQNCUVCWKS-LURJTMIESA-N -1 0 382.631 3.300 20 50 GGGDRM CC(CCC(=O)[O-])=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC001592470845 978225932 /nfs/dbraw/zinc/22/59/32/978225932.db2.gz QCEHINLXGANRMM-UHFFFAOYSA-N -1 0 386.477 3.356 20 50 GGGDRM C[C@@H](CCCc1ccccc1)C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001592492276 978287195 /nfs/dbraw/zinc/28/71/95/978287195.db2.gz SARKWOJESSPABM-AWEZNQCLSA-N -1 0 375.494 3.239 20 50 GGGDRM CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000736122093 978303814 /nfs/dbraw/zinc/30/38/14/978303814.db2.gz TWVMAAHYIHGYMU-UHFFFAOYSA-N -1 0 393.346 3.297 20 50 GGGDRM CC(=NNC(=O)CCc1ccccc1O)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000736121105 978304228 /nfs/dbraw/zinc/30/42/28/978304228.db2.gz KNUQYYCNIOIDJM-UHFFFAOYSA-N -1 0 397.456 3.482 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)NNC(=O)[O-])c(C(F)(F)F)c1 ZINC000736286722 978317965 /nfs/dbraw/zinc/31/79/65/978317965.db2.gz UIWFOXGVNCGZOU-UHFFFAOYSA-N -1 0 378.307 3.357 20 50 GGGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000736375923 978326750 /nfs/dbraw/zinc/32/67/50/978326750.db2.gz RHEWWVNYDFCAPF-SNVBAGLBSA-N -1 0 398.179 3.203 20 50 GGGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000736417075 978332519 /nfs/dbraw/zinc/33/25/19/978332519.db2.gz SPEWDICFEABHGM-LLVKDONJSA-N -1 0 378.654 3.228 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736432089 978335333 /nfs/dbraw/zinc/33/53/33/978335333.db2.gz RIPQYUDRDOOMPM-UHFFFAOYSA-N -1 0 385.420 3.276 20 50 GGGDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703892 978349956 /nfs/dbraw/zinc/34/99/56/978349956.db2.gz ZKZNLPFIVUWJLJ-QMMMGPOBSA-N -1 0 383.715 3.458 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736703315 978350475 /nfs/dbraw/zinc/35/04/75/978350475.db2.gz CQTKAQHJIZDAEO-DJJJIMSYSA-N -1 0 382.391 3.193 20 50 GGGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000736704231 978350892 /nfs/dbraw/zinc/35/08/92/978350892.db2.gz QAQKKGISSAFEQB-ZDUSSCGKSA-N -1 0 378.384 3.161 20 50 GGGDRM C[C@H](Sc1ccccc1C(=O)NNC(=O)CCCc1ccccc1)C(=O)[O-] ZINC000736715296 978351912 /nfs/dbraw/zinc/35/19/12/978351912.db2.gz CORXRSKOPRBARR-AWEZNQCLSA-N -1 0 386.473 3.036 20 50 GGGDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736712943 978351924 /nfs/dbraw/zinc/35/19/24/978351924.db2.gz SDHHEYGJGUQLKA-VIFPVBQESA-N -1 0 392.345 3.287 20 50 GGGDRM C[C@@H](Sc1ccccc1C(=O)NNC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000736719671 978352415 /nfs/dbraw/zinc/35/24/15/978352415.db2.gz ZIFHZPPPWAUWAK-CYBMUJFWSA-N -1 0 394.452 3.480 20 50 GGGDRM CCN(C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C)c1ccccc1C(=O)[O-] ZINC000737049410 978375690 /nfs/dbraw/zinc/37/56/90/978375690.db2.gz FZLJFWWGOKUDSX-QGOAFFKASA-N -1 0 395.459 3.410 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000737050102 978376597 /nfs/dbraw/zinc/37/65/97/978376597.db2.gz ITRGLBJTXAINDR-QDDTUJKSSA-N -1 0 379.460 3.407 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)c1C ZINC000737051574 978376940 /nfs/dbraw/zinc/37/69/40/978376940.db2.gz WYECJOJBPLNWMH-JKALPCAWSA-N -1 0 395.459 3.373 20 50 GGGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C ZINC000737093438 978379305 /nfs/dbraw/zinc/37/93/05/978379305.db2.gz HMADPGLBUKGPEH-SFQUDFHCSA-N -1 0 383.423 3.463 20 50 GGGDRM C[C@@H](CCOCc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592529054 978383547 /nfs/dbraw/zinc/38/35/47/978383547.db2.gz KPUFKKPBQFKWKI-ZDUSSCGKSA-N -1 0 375.400 3.145 20 50 GGGDRM CCOc1ccc(C=C(C#N)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737194181 978386630 /nfs/dbraw/zinc/38/66/30/978386630.db2.gz AQVWYYQNXRGZOJ-LGMDPLHJSA-N -1 0 379.416 3.441 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000737194770 978386669 /nfs/dbraw/zinc/38/66/69/978386669.db2.gz JLVRRYQIHXXXPU-WJDWOHSUSA-N -1 0 380.400 3.403 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC000737194209 978386713 /nfs/dbraw/zinc/38/67/13/978386713.db2.gz ATJLJODAIKVOTG-RQRMZWKBSA-N -1 0 392.455 3.360 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737195689 978387400 /nfs/dbraw/zinc/38/74/00/978387400.db2.gz WOOLESWYTOHPPU-SQWSFHKJSA-N -1 0 378.428 3.285 20 50 GGGDRM CCc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000737250683 978391408 /nfs/dbraw/zinc/39/14/08/978391408.db2.gz LWNXMIMLQBIEJI-UHFFFAOYSA-N -1 0 399.334 3.399 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc(C(=O)[O-])c1 ZINC000737662972 978427737 /nfs/dbraw/zinc/42/77/37/978427737.db2.gz UZZFNFWKOSZIBJ-UHFFFAOYSA-N -1 0 397.309 3.339 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)c1C ZINC000737746830 978441206 /nfs/dbraw/zinc/44/12/06/978441206.db2.gz 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COc1ccccc1-c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)no1 ZINC000738114454 978480337 /nfs/dbraw/zinc/48/03/37/978480337.db2.gz YHRHCYZKLKPWIQ-UHFFFAOYSA-N -1 0 384.300 3.176 20 50 GGGDRM CSc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738214632 978500713 /nfs/dbraw/zinc/50/07/13/978500713.db2.gz OVLBMIUICCLYGL-UHFFFAOYSA-N -1 0 378.318 3.142 20 50 GGGDRM Cc1cc(C)c(NCC(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000738357706 978523682 /nfs/dbraw/zinc/52/36/82/978523682.db2.gz HIOYHQGEZCADQK-GOSISDBHSA-N -1 0 375.856 3.124 20 50 GGGDRM Cc1cc(C)c(NCC(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000738357710 978523813 /nfs/dbraw/zinc/52/38/13/978523813.db2.gz HIOYHQGEZCADQK-SFHVURJKSA-N -1 0 375.856 3.124 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000738378419 978528242 /nfs/dbraw/zinc/52/82/42/978528242.db2.gz FRAMQKAWMQHICP-CXUHLZMHSA-N -1 0 396.834 3.091 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)n1CC(C)C ZINC000738378217 978528374 /nfs/dbraw/zinc/52/83/74/978528374.db2.gz CCPDDNGIDFFGET-SOFYXZRVSA-N -1 0 398.415 3.385 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000738379173 978529835 /nfs/dbraw/zinc/52/98/35/978529835.db2.gz POCATXLCTFBBJE-WIJRQFRKSA-N -1 0 385.851 3.491 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)n1CC(C)C ZINC000738379272 978530458 /nfs/dbraw/zinc/53/04/58/978530458.db2.gz QMKFMCWLYNPMLE-UDKWZTAFSA-N -1 0 383.492 3.381 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)c(C)n1C[C@H]1CCCO1 ZINC000738379218 978530498 /nfs/dbraw/zinc/53/04/98/978530498.db2.gz QBBGZCNRDYYGQJ-ROBMAMTRSA-N -1 0 398.415 3.226 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379640 978530546 /nfs/dbraw/zinc/53/05/46/978530546.db2.gz ONGXKTNSDQBWLF-WJDWOHSUSA-N -1 0 383.423 3.462 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)n1CC(C)C ZINC000738379276 978530585 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UWQMWSCZTJBKLB-KRWDZBQOSA-N -1 0 399.871 3.491 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCSCC(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756717 978600675 /nfs/dbraw/zinc/60/06/75/978600675.db2.gz PDHWGWPZFSQREW-WQRHYEAKSA-N -1 0 397.500 3.244 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738832684 978604248 /nfs/dbraw/zinc/60/42/48/978604248.db2.gz TWANTXDWFGRMCA-MRXNPFEDSA-N -1 0 392.440 3.051 20 50 GGGDRM Cc1ncsc1C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000738892284 978607630 /nfs/dbraw/zinc/60/76/30/978607630.db2.gz HNIKWXJSGMHFDT-UHFFFAOYSA-N -1 0 395.440 3.493 20 50 GGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738923099 978609120 /nfs/dbraw/zinc/60/91/20/978609120.db2.gz PPBZSSNGMCQWAZ-UHFFFAOYSA-N -1 0 379.844 3.235 20 50 GGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000738923497 978609796 /nfs/dbraw/zinc/60/97/96/978609796.db2.gz WXRHYEDTDQLSCT-UHFFFAOYSA-N -1 0 393.856 3.141 20 50 GGGDRM Cc1noc2nc(C(C)C)cc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c12 ZINC000738956053 978610584 /nfs/dbraw/zinc/61/05/84/978610584.db2.gz ZAQVMHRSQVHUOM-UHFFFAOYSA-N -1 0 385.332 3.480 20 50 GGGDRM O=C([O-])c1cc(OC(=O)/C=C/c2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000739215318 978620817 /nfs/dbraw/zinc/62/08/17/978620817.db2.gz ILYFQSSRZHEKEY-ZZXKWVIFSA-N -1 0 382.122 3.267 20 50 GGGDRM O=C([O-])c1cc(OC(=O)COc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000739329819 978629220 /nfs/dbraw/zinc/62/92/20/978629220.db2.gz UFJZJNIWXDIQKI-UHFFFAOYSA-N -1 0 396.149 3.040 20 50 GGGDRM O=C([O-])[C@@H](NNC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000739336333 978629227 /nfs/dbraw/zinc/62/92/27/978629227.db2.gz FRHFKFIJVDRICD-NRFANRHFSA-N -1 0 394.402 3.318 20 50 GGGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000739341782 978630720 /nfs/dbraw/zinc/63/07/20/978630720.db2.gz OUFSGVSQLLWFGT-UHFFFAOYSA-N -1 0 380.150 3.204 20 50 GGGDRM O=C([O-])c1ccc(COc2ccc(C=NNC(=O)Cc3ccccn3)cc2)cc1 ZINC000739350224 978631804 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GGGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)c2ccc(Br)cc2Cl)c1 ZINC000740154570 978670888 /nfs/dbraw/zinc/67/08/88/978670888.db2.gz GLNODCYSCPAUFE-UHFFFAOYSA-N -1 0 397.612 3.270 20 50 GGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccccc3Br)c2c1 ZINC000740190792 978672327 /nfs/dbraw/zinc/67/23/27/978672327.db2.gz SOUUJRFSWLZLTD-UHFFFAOYSA-N -1 0 386.205 3.393 20 50 GGGDRM O=Cc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(CCCCl)cc1 ZINC000740318372 978675766 /nfs/dbraw/zinc/67/57/66/978675766.db2.gz ZBBXALIUZVVPLO-UHFFFAOYSA-N -1 0 382.821 3.136 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccn(-c3ccccc3Cl)n2)ccc1[N+](=O)[O-] ZINC000740308665 978675786 /nfs/dbraw/zinc/67/57/86/978675786.db2.gz YONZFCPCYJDLCJ-UHFFFAOYSA-N -1 0 387.735 3.351 20 50 GGGDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000776636272 978763178 /nfs/dbraw/zinc/76/31/78/978763178.db2.gz YRFWCVSXBZARLD-FABXCBLPSA-N -1 0 382.254 3.351 20 50 GGGDRM O=C([O-])[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)Cc1cccc(F)c1 ZINC000776640326 978763908 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UOLAQYQHIQBCBB-AOHITCTBSA-N -1 0 380.400 3.483 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794691153 978816848 /nfs/dbraw/zinc/81/68/48/978816848.db2.gz MLRKRADIEAPKFG-WPBJZHHJSA-N -1 0 384.819 3.415 20 50 GGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794691098 978816915 /nfs/dbraw/zinc/81/69/15/978816915.db2.gz YWRJJNXQMCFMAS-RGHBXIHOSA-N -1 0 380.400 3.483 20 50 GGGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794691093 978817026 /nfs/dbraw/zinc/81/70/26/978817026.db2.gz YWRJJNXQMCFMAS-IZCBMXNHSA-N -1 0 380.400 3.483 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000794692968 978817092 /nfs/dbraw/zinc/81/70/92/978817092.db2.gz YPEMXESLAOSYJC-WDGDVPDHSA-N -1 0 379.368 3.100 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000794856791 978822755 /nfs/dbraw/zinc/82/27/55/978822755.db2.gz QYYHJYGJTOCFSO-NSHDSACASA-N -1 0 391.221 3.065 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000794911575 978828217 /nfs/dbraw/zinc/82/82/17/978828217.db2.gz JHTSCUHRVHTEEW-LLVKDONJSA-N -1 0 393.346 3.296 20 50 GGGDRM Cc1cc(C(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)c2ccccc2n1 ZINC000799867067 978841652 /nfs/dbraw/zinc/84/16/52/978841652.db2.gz BPKOEYXQXFQVDP-UHFFFAOYSA-N -1 0 386.411 3.346 20 50 GGGDRM COc1cc(Cl)ccc1C(=O)NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799874506 978843264 /nfs/dbraw/zinc/84/32/64/978843264.db2.gz NUXGJBNRVBEQGP-UHFFFAOYSA-N -1 0 385.807 3.152 20 50 GGGDRM C[C@@H]1C(=NNC(=O)CSc2nc3ccccc3s2)CC[C@@H]1CC(=O)[O-] ZINC000814723399 978876707 /nfs/dbraw/zinc/87/67/07/978876707.db2.gz DEGNZDBWAHNWJK-WDEREUQCSA-N -1 0 377.491 3.381 20 50 GGGDRM C[C@H]1C(=NNC(=O)CSc2nc3ccccc3s2)CC[C@@H]1CC(=O)[O-] ZINC000814723396 978876781 /nfs/dbraw/zinc/87/67/81/978876781.db2.gz DEGNZDBWAHNWJK-GHMZBOCLSA-N -1 0 377.491 3.381 20 50 GGGDRM O=C([O-])C1CCC(=NNC(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000814725000 978877100 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383.242 3.064 20 50 GGGDRM COc1ccc(Br)c(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000814836002 978890953 /nfs/dbraw/zinc/89/09/53/978890953.db2.gz GQXDJZJDKMFAQQ-NXEZZACHSA-N -1 0 383.242 3.064 20 50 GGGDRM COc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1Br ZINC000814845995 978892456 /nfs/dbraw/zinc/89/24/56/978892456.db2.gz BWEWGFMOKWWPEQ-ZJUUUORDSA-N -1 0 383.242 3.064 20 50 GGGDRM COc1cc(NC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c(OC)cc1Cl ZINC000814997137 978900461 /nfs/dbraw/zinc/90/04/61/978900461.db2.gz VATHQMDOSXPSFI-VHSXEESVSA-N -1 0 383.832 3.356 20 50 GGGDRM COc1cc(NC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c(OC)cc1Cl ZINC000814997138 978900609 /nfs/dbraw/zinc/90/06/09/978900609.db2.gz VATHQMDOSXPSFI-ZJUUUORDSA-N -1 0 383.832 3.356 20 50 GGGDRM Cc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000832943049 979058632 /nfs/dbraw/zinc/05/86/32/979058632.db2.gz MSUQHZITOJKPJX-UHFFFAOYSA-N -1 0 382.203 3.082 20 50 GGGDRM C[C@@H](CNC(=O)NNc1cc(C(=O)[O-])ccc1Br)CC(F)(F)F 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/nfs/dbraw/zinc/26/36/19/979263619.db2.gz CMLAAMHAZONPIU-GNPUXRKISA-N -1 0 394.309 3.388 20 50 GGGDRM CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595134727 979569545 /nfs/dbraw/zinc/56/95/45/979569545.db2.gz BVBZOZITBWNMEC-CJMVGXJBSA-N -1 0 395.459 3.237 20 50 GGGDRM C[C@@H](Cc1ccc(Br)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592834739 979579389 /nfs/dbraw/zinc/57/93/89/979579389.db2.gz VYHVIDFPLNQUKZ-NSHDSACASA-N -1 0 377.238 3.469 20 50 GGGDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)[O-] ZINC001592838058 979585217 /nfs/dbraw/zinc/58/52/17/979585217.db2.gz IBRYYULESBZOQJ-CKOFDZGGSA-N -1 0 384.819 3.155 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1cccc(F)c1 ZINC001595150098 979638913 /nfs/dbraw/zinc/63/89/13/979638913.db2.gz OWAIMZSPBNDDON-ZDUSSCGKSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1ccccc1C ZINC001595150523 979641569 /nfs/dbraw/zinc/64/15/69/979641569.db2.gz VLKOBCCNQJXEPO-CQSZACIVSA-N -1 0 375.400 3.316 20 50 GGGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592873122 979734092 /nfs/dbraw/zinc/73/40/92/979734092.db2.gz RJVKGPXCAQZRDR-CQSZACIVSA-N -1 0 383.448 3.080 20 50 GGGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC001592874110 979738799 /nfs/dbraw/zinc/73/87/99/979738799.db2.gz XQEPJXFYSGOYPI-LLVKDONJSA-N -1 0 375.812 3.070 20 50 GGGDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595213754 980010014 /nfs/dbraw/zinc/01/00/14/980010014.db2.gz WYQLBMXTWXFAJZ-GFCCVEGCSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@@H]1[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CCN1C(=O)OC(C)(C)C ZINC001595406008 980989282 /nfs/dbraw/zinc/98/92/82/980989282.db2.gz WJPRRQUFSQPKAI-SMDDNHRTSA-N -1 0 395.431 3.003 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908175200 981279011 /nfs/dbraw/zinc/27/90/11/981279011.db2.gz SCLALWXFKPSTRD-SSOKKCIESA-N -1 0 378.332 3.041 20 50 GGGDRM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001595635695 981907366 /nfs/dbraw/zinc/90/73/66/981907366.db2.gz HIMFZWXCGIQODA-ZDUSSCGKSA-N -1 0 396.396 3.282 20 50 GGGDRM O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)nc2C1 ZINC000910677384 982051541 /nfs/dbraw/zinc/05/15/41/982051541.db2.gz NVTUEIYVMJBSHW-DOGQCFSMSA-N -1 0 399.310 3.225 20 50 GGGDRM CCCCS(=O)(=O)c1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001595785643 982570672 /nfs/dbraw/zinc/57/06/72/982570672.db2.gz BSUOGVITFRLQNA-UHFFFAOYSA-N -1 0 390.461 3.024 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1C ZINC001595802922 982622414 /nfs/dbraw/zinc/62/24/14/982622414.db2.gz MVRHEVUEFRCWBQ-NHXNDTTKSA-N -1 0 385.386 3.334 20 50 GGGDRM O=C([O-])COc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000916273651 982672939 /nfs/dbraw/zinc/67/29/39/982672939.db2.gz PUQSXKDIVGVPEJ-UHFFFAOYSA-N -1 0 378.837 3.046 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccccc1C(=O)[O-] ZINC000916344945 982674046 /nfs/dbraw/zinc/67/40/46/982674046.db2.gz QTIKJLIRDGLMQO-NSHDSACASA-N -1 0 391.221 3.065 20 50 GGGDRM C[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000916344209 982674240 /nfs/dbraw/zinc/67/42/40/982674240.db2.gz FLZOIGMKZNFNBB-LLVKDONJSA-N -1 0 391.221 3.065 20 50 GGGDRM O=C([O-])COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000916360114 982675532 /nfs/dbraw/zinc/67/55/32/982675532.db2.gz HPSARMHBKAXYOS-UHFFFAOYSA-N -1 0 394.383 3.086 20 50 GGGDRM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC001595013573 982948502 /nfs/dbraw/zinc/94/85/02/982948502.db2.gz JQBRGMOUHMKSNK-GJZGRUSLSA-N -1 0 395.459 3.395 20 50 GGGDRM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC001595013572 982948782 /nfs/dbraw/zinc/94/87/82/982948782.db2.gz JQBRGMOUHMKSNK-CABCVRRESA-N -1 0 395.459 3.395 20 50 GGGDRM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NNc2ccccc2C(=O)[O-])CC1=O ZINC001595013574 982948828 /nfs/dbraw/zinc/94/88/28/982948828.db2.gz JQBRGMOUHMKSNK-HUUCEWRRSA-N -1 0 395.459 3.395 20 50 GGGDRM CCCOc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OCC ZINC001595954460 983137855 /nfs/dbraw/zinc/13/78/55/983137855.db2.gz GRYBMORAODJKKK-UHFFFAOYSA-N -1 0 376.384 3.468 20 50 GGGDRM CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595975890 983213799 /nfs/dbraw/zinc/21/37/99/983213799.db2.gz UQVXJAGHZKDCRZ-UHFFFAOYSA-N -1 0 380.404 3.116 20 50 GGGDRM CCCc1c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cnn1Cc1ccccc1 ZINC001596045999 983338278 /nfs/dbraw/zinc/33/82/78/983338278.db2.gz ZXRVLNFWIXUPPH-UHFFFAOYSA-N -1 0 396.422 3.478 20 50 GGGDRM C#C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(Cl)cc1F ZINC001588373911 983340418 /nfs/dbraw/zinc/34/04/18/983340418.db2.gz LQKGUPHZMWTCOG-HNNXBMFYSA-N -1 0 375.787 3.486 20 50 GGGDRM C#C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001588374534 983345203 /nfs/dbraw/zinc/34/52/03/983345203.db2.gz YROYEPCYCSZHHO-HNNXBMFYSA-N -1 0 388.221 3.148 20 50 GGGDRM CCCc1nc(C(=O)NNc2cccc(C(=O)[O-])c2C)nn1-c1ccccc1F ZINC001596077613 983393777 /nfs/dbraw/zinc/39/37/77/983393777.db2.gz JWYGTOQEITYRRP-UHFFFAOYSA-N -1 0 397.410 3.122 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1C ZINC001596108087 983432950 /nfs/dbraw/zinc/43/29/50/983432950.db2.gz PAHMRGOUSVPIPL-YHTSIIMFSA-N -1 0 397.397 3.288 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC001596108222 983433208 /nfs/dbraw/zinc/43/32/08/983433208.db2.gz SSTWIZGRSZQERO-PWDRSIHYSA-N -1 0 386.477 3.454 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1C ZINC001596108138 983433373 /nfs/dbraw/zinc/43/33/73/983433373.db2.gz PYEJSCRVYWZLAW-DHDCSXOGSA-N -1 0 385.386 3.288 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2C(=O)[O-])c1C ZINC001596108536 983434587 /nfs/dbraw/zinc/43/45/87/983434587.db2.gz BEXUGXUMRXTCLF-UYRXBGFRSA-N -1 0 379.460 3.479 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2cccc(F)c2C(=O)[O-])c1C ZINC001596108621 983434958 /nfs/dbraw/zinc/43/49/58/983434958.db2.gz GXRZGRIFTOESII-GDNBJRDFSA-N -1 0 384.411 3.403 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001596108662 983435409 /nfs/dbraw/zinc/43/54/09/983435409.db2.gz JQSGIHYBEFBPFB-WOJGMQOQSA-N -1 0 395.459 3.445 20 50 GGGDRM CCN(CC(C)C)c1nc(CC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC001596236197 983630222 /nfs/dbraw/zinc/63/02/22/983630222.db2.gz REAKZTDFJLEXNJ-UHFFFAOYSA-N -1 0 394.472 3.149 20 50 GGGDRM CCN(CC(C)C)c1nc(CC(=O)NNc2ccccc2C(=O)[O-])cs1 ZINC001596236207 983630363 /nfs/dbraw/zinc/63/03/63/983630363.db2.gz RMDGCVHFQAIJTD-UHFFFAOYSA-N -1 0 376.482 3.009 20 50 GGGDRM CCN(CC(C)C)c1nc(CC(=O)NNc2cccc(F)c2C(=O)[O-])cs1 ZINC001596236403 983631217 /nfs/dbraw/zinc/63/12/17/983631217.db2.gz UTTHGYIUJIJOOG-UHFFFAOYSA-N -1 0 394.472 3.149 20 50 GGGDRM C=C(CCC(=O)[O-])C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001588630475 983744364 /nfs/dbraw/zinc/74/43/64/983744364.db2.gz MTRABCOSDYVCLV-UHFFFAOYSA-N -1 0 395.790 3.097 20 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ZINC001588794133 984224890 /nfs/dbraw/zinc/22/48/90/984224890.db2.gz MGFNEFWOAOQABZ-CQSZACIVSA-N -1 0 395.431 3.217 20 50 GGGDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001588794411 984227006 /nfs/dbraw/zinc/22/70/06/984227006.db2.gz TVHYHTYUPPCKRE-MRXNPFEDSA-N -1 0 391.468 3.386 20 50 GGGDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001588794410 984227211 /nfs/dbraw/zinc/22/72/11/984227211.db2.gz TVHYHTYUPPCKRE-INIZCTEOSA-N -1 0 391.468 3.386 20 50 GGGDRM C=CCOc1ccc(/C=C\C(=O)NNc2cccc(C(=O)[O-])c2C)cc1OC ZINC001588874543 984448463 /nfs/dbraw/zinc/44/84/63/984448463.db2.gz AWXGWVXJLZHCEQ-LUAWRHEFSA-N -1 0 382.416 3.423 20 50 GGGDRM C=CCOc1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1 ZINC001588875159 984451766 /nfs/dbraw/zinc/45/17/66/984451766.db2.gz ZBKXQQWGGJWYFU-UHFFFAOYSA-N -1 0 391.221 3.469 20 50 GGGDRM CCOC(=O)/C=C\c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001596586951 984518416 /nfs/dbraw/zinc/51/84/16/984518416.db2.gz MRHZWXCBDHRWKT-FLIBITNWSA-N -1 0 387.367 3.249 20 50 GGGDRM CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001596630647 984615201 /nfs/dbraw/zinc/61/52/01/984615201.db2.gz CSDLUGBFVXAPSW-UHFFFAOYSA-N -1 0 395.415 3.037 20 50 GGGDRM CCOC(=O)N(C)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001596642511 984637975 /nfs/dbraw/zinc/63/79/75/984637975.db2.gz CGEBNQUTABFENI-UHFFFAOYSA-N -1 0 390.371 3.265 20 50 GGGDRM CCOC(=O)N(C)c1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001596643547 984644598 /nfs/dbraw/zinc/64/45/98/984644598.db2.gz XPIYTOAVTIHDLR-UHFFFAOYSA-N -1 0 390.371 3.265 20 50 GGGDRM CCOC(=O)Oc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC001596671827 984743594 /nfs/dbraw/zinc/74/35/94/984743594.db2.gz LNFBJTQIUWGZPV-UHFFFAOYSA-N -1 0 375.289 3.048 20 50 GGGDRM C[C@H](Oc1ccc(Br)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001599906028 984923308 /nfs/dbraw/zinc/92/33/08/984923308.db2.gz BOIVCRWNFZCFQV-VIFPVBQESA-N -1 0 397.200 3.197 20 50 GGGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)[O-])c(CC)o2)cc1 ZINC001596724006 984974172 /nfs/dbraw/zinc/97/41/72/984974172.db2.gz WGTDTCDSNJJZKL-LCYFTJDESA-N -1 0 382.372 3.263 20 50 GGGDRM CC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589010999 984985909 /nfs/dbraw/zinc/98/59/09/984985909.db2.gz OPRYYPIAMFSEEQ-UHFFFAOYSA-N -1 0 398.459 3.367 20 50 GGGDRM CC(=O)N(c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1)C1CC1 ZINC001589051438 985139536 /nfs/dbraw/zinc/13/95/36/985139536.db2.gz HTIWCPSADHXLOO-UHFFFAOYSA-N -1 0 386.383 3.188 20 50 GGGDRM CCO[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C12CCCCC2 ZINC001596821980 985418209 /nfs/dbraw/zinc/41/82/09/985418209.db2.gz HSPRLKLKXLIRKP-IRXDYDNUSA-N -1 0 375.469 3.068 20 50 GGGDRM CCO[C@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C12CCCCC2 ZINC001596824805 985429563 /nfs/dbraw/zinc/42/95/63/985429563.db2.gz XTTDQXWNDXAHSV-CVEARBPZSA-N -1 0 379.432 3.278 20 50 GGGDRM CCO[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C12CCCCC2 ZINC001596824807 985429634 /nfs/dbraw/zinc/42/96/34/985429634.db2.gz XTTDQXWNDXAHSV-HZPDHXFCSA-N -1 0 379.432 3.278 20 50 GGGDRM CC(=O)Nc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)cc(C(F)(F)F)c1 ZINC001589170162 985520969 /nfs/dbraw/zinc/52/09/69/985520969.db2.gz CYOWCGVJMUWNCV-UHFFFAOYSA-N -1 0 395.337 3.427 20 50 GGGDRM CC(=O)Nc1cc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc(C(F)(F)F)c1 ZINC001589170421 985523857 /nfs/dbraw/zinc/52/38/57/985523857.db2.gz NWKMNFRUDZQYAT-UHFFFAOYSA-N -1 0 399.300 3.258 20 50 GGGDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001589204128 985656867 /nfs/dbraw/zinc/65/68/67/985656867.db2.gz JHDJTZGCZLCUCE-SNVBAGLBSA-N -1 0 391.424 3.106 20 50 GGGDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001589204122 985656880 /nfs/dbraw/zinc/65/68/80/985656880.db2.gz JFTJQHQABYJMBM-SNVBAGLBSA-N -1 0 391.424 3.106 20 50 GGGDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C ZINC001596869690 985690779 /nfs/dbraw/zinc/69/07/79/985690779.db2.gz RUOKXDZAQPOZAD-LOHYDARVSA-N -1 0 389.496 3.006 20 50 GGGDRM CC(=O)c1cc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)ccc1C ZINC001589258146 985907388 /nfs/dbraw/zinc/90/73/88/985907388.db2.gz QQEGTJDLLASRNM-UHFFFAOYSA-N -1 0 391.221 3.415 20 50 GGGDRM CC(=O)c1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c(F)c1 ZINC001589277716 985998015 /nfs/dbraw/zinc/99/80/15/985998015.db2.gz XNFGIXDDMDLYIV-UHFFFAOYSA-N -1 0 395.184 3.246 20 50 GGGDRM Cc1c(Br)cc(C(=O)NNc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599970639 986000183 /nfs/dbraw/zinc/00/01/83/986000183.db2.gz OPXXEYUONUFEQT-UHFFFAOYSA-N -1 0 394.181 3.121 20 50 GGGDRM Cc1c(Br)ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1F ZINC001599971284 986010552 /nfs/dbraw/zinc/01/05/52/986010552.db2.gz BJNLUWAEZHVGAL-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM Cc1c(Br)ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1F ZINC001599971611 986016025 /nfs/dbraw/zinc/01/60/25/986016025.db2.gz INIGFVUYODMCBD-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM Cc1c(Br)cc(F)cc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599971959 986021385 /nfs/dbraw/zinc/02/13/85/986021385.db2.gz UDNGEAQTPGJFJX-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM CCOCCOCc1cccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001596938432 986062556 /nfs/dbraw/zinc/06/25/56/986062556.db2.gz UHAHCPLUVCVIPJ-UHFFFAOYSA-N -1 0 391.399 3.226 20 50 GGGDRM CC(=O)c1csc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c1 ZINC001589323124 986141456 /nfs/dbraw/zinc/14/14/56/986141456.db2.gz WOPHRRUUMNNMIC-UHFFFAOYSA-N -1 0 383.223 3.168 20 50 GGGDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001589323921 986151915 /nfs/dbraw/zinc/15/19/15/986151915.db2.gz QXMMSQOQOMNAFG-UHFFFAOYSA-N -1 0 384.363 3.467 20 50 GGGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cnn1-c1ccc(F)cc1F ZINC001599982392 986182271 /nfs/dbraw/zinc/18/22/71/986182271.db2.gz RTXVXRPZBRUNHU-UHFFFAOYSA-N -1 0 390.321 3.053 20 50 GGGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])cc2F)cnn1-c1ccc(Cl)cc1 ZINC001599982441 986183198 /nfs/dbraw/zinc/18/31/98/986183198.db2.gz UKEHYLHUKCUYIM-UHFFFAOYSA-N -1 0 388.786 3.428 20 50 GGGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC001597020641 986403020 /nfs/dbraw/zinc/40/30/20/986403020.db2.gz KIXHJDCZWPABJE-UHFFFAOYSA-N -1 0 395.774 3.043 20 50 GGGDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccccc1C(=O)[O-])O[C@@H](C)C2 ZINC001597044462 986504518 /nfs/dbraw/zinc/50/45/18/986504518.db2.gz JIBBZJVLZYTILR-YLQAJVPDSA-N -1 0 396.443 3.354 20 50 GGGDRM CCOc1cc2c(cc1/C=C\C(=O)NNc1ccccc1C(=O)[O-])O[C@@H](C)C2 ZINC001597048956 986514830 /nfs/dbraw/zinc/51/48/30/986514830.db2.gz PWRDGKGUOVRDNM-YXVBKTCISA-N -1 0 382.416 3.263 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C(=O)[O-])c2C)cc1 ZINC001597050094 986528632 /nfs/dbraw/zinc/52/86/32/986528632.db2.gz UIDMFCVYTBPJCA-YAJBTMAUSA-N -1 0 395.459 3.331 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)[O-])c2C)cc1 ZINC001597050281 986529557 /nfs/dbraw/zinc/52/95/57/986529557.db2.gz YKLOWMXJYVFAJZ-QAEAHILHSA-N -1 0 382.416 3.416 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001597081183 986622756 /nfs/dbraw/zinc/62/27/56/986622756.db2.gz CHGCNBSEHFGJMM-LCYFTJDESA-N -1 0 385.807 3.055 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597082024 986629601 /nfs/dbraw/zinc/62/96/01/986629601.db2.gz UTEXGECTMHXHSY-PDGQHHTCSA-N -1 0 394.427 3.058 20 50 GGGDRM CCOc1ccc(C[C@@H](C)CNC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001597085439 986652723 /nfs/dbraw/zinc/65/27/23/986652723.db2.gz WICQTHIHVLHVSI-CYBMUJFWSA-N -1 0 389.427 3.428 20 50 GGGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1OCCc2sccc21 ZINC001589424411 986691586 /nfs/dbraw/zinc/69/15/86/986691586.db2.gz VMTQOXQNLKBQFA-VFZGTOFNSA-N -1 0 380.853 3.493 20 50 GGGDRM CCOc1ccc(Cl)cc1CCNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597105129 986732879 /nfs/dbraw/zinc/73/28/79/986732879.db2.gz CQXSKVXIXSDGFJ-UHFFFAOYSA-N -1 0 391.855 3.235 20 50 GGGDRM CCOc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1OCC ZINC001597120228 986808649 /nfs/dbraw/zinc/80/86/49/986808649.db2.gz BNNPDTMLAFZNCU-UHFFFAOYSA-N -1 0 377.372 3.470 20 50 GGGDRM CCOc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597186409 987058350 /nfs/dbraw/zinc/05/83/50/987058350.db2.gz RQSSOABZBDRXFZ-UHFFFAOYSA-N -1 0 380.404 3.035 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC001594735788 987272279 /nfs/dbraw/zinc/27/22/79/987272279.db2.gz HNZAYZLKTZSHBF-KRWDZBQOSA-N -1 0 383.448 3.395 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccccc1 ZINC001594736073 987274357 /nfs/dbraw/zinc/27/43/57/987274357.db2.gz JGZWASFPTQWSPH-ZDUSSCGKSA-N -1 0 375.450 3.410 20 50 GGGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001589574652 987347578 /nfs/dbraw/zinc/34/75/78/987347578.db2.gz CMHKCGVIZIGFLW-QWHCGFSZSA-N -1 0 391.365 3.066 20 50 GGGDRM CCc1c(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cnn1-c1ccccc1C ZINC001597410821 987696712 /nfs/dbraw/zinc/69/67/12/987696712.db2.gz MBKVBEPOSJJRAI-UHFFFAOYSA-N -1 0 394.431 3.207 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001597424192 987747094 /nfs/dbraw/zinc/74/70/94/987747094.db2.gz MPFHHNYUPCIYKA-XQRVVYSFSA-N -1 0 379.210 3.459 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001597424598 987747733 /nfs/dbraw/zinc/74/77/33/987747733.db2.gz SFNCMEXFOMWGBD-UHFFFAOYSA-N -1 0 399.270 3.244 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001597424614 987748479 /nfs/dbraw/zinc/74/84/79/987748479.db2.gz UFPVQYPKNMYFOU-GFCCVEGCSA-N -1 0 384.274 3.139 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589698652 987781801 /nfs/dbraw/zinc/78/18/01/987781801.db2.gz HDIXYJFVTIYSPB-OCCSQVGLSA-N -1 0 382.254 3.354 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001589699523 987785893 /nfs/dbraw/zinc/78/58/93/987785893.db2.gz MBEYIOZHVADEPG-ZIAGYGMSSA-N -1 0 381.270 3.089 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001589699511 987785993 /nfs/dbraw/zinc/78/59/93/987785993.db2.gz MBEYIOZHVADEPG-KGLIPLIRSA-N -1 0 381.270 3.089 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001589700529 987791810 /nfs/dbraw/zinc/79/18/10/987791810.db2.gz YURHBPBRIOPINY-AWEZNQCLSA-N -1 0 396.237 3.402 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001589700551 987792840 /nfs/dbraw/zinc/79/28/40/987792840.db2.gz ZEZPVJUSONHFDL-NSHDSACASA-N -1 0 375.288 3.397 20 50 GGGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC001597459441 987885290 /nfs/dbraw/zinc/88/52/90/987885290.db2.gz HMOWPNSPAIRQND-AWEZNQCLSA-N -1 0 399.447 3.184 20 50 GGGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1cc(C)nc2ccccc21 ZINC001597459596 987886784 /nfs/dbraw/zinc/88/67/84/987886784.db2.gz KEIOIEVMPBWBDH-UHFFFAOYSA-N -1 0 392.415 3.270 20 50 GGGDRM CCc1ccc(C(=O)NNC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC001597501017 988063447 /nfs/dbraw/zinc/06/34/47/988063447.db2.gz KPFCOLAGAKTMIX-UHFFFAOYSA-N -1 0 387.461 3.033 20 50 GGGDRM CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001589784494 988166730 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CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001589901975 988613060 /nfs/dbraw/zinc/61/30/60/988613060.db2.gz ZBRLKXJAZUJUOF-UHFFFAOYSA-N -1 0 399.447 3.347 20 50 GGGDRM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001589907644 988627461 /nfs/dbraw/zinc/62/74/61/988627461.db2.gz LVZHKSVSIYGAOP-CVEARBPZSA-N -1 0 389.452 3.006 20 50 GGGDRM CSc1nc(C2CC2)cc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C#N ZINC001599828196 988630441 /nfs/dbraw/zinc/63/04/41/988630441.db2.gz QYIANRQYVTVFIU-UHFFFAOYSA-N -1 0 382.445 3.316 20 50 GGGDRM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001589948759 988742473 /nfs/dbraw/zinc/74/24/73/988742473.db2.gz QECVTNUDXGPRRB-OAHLLOKOSA-N -1 0 389.452 3.008 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001589972139 988810242 /nfs/dbraw/zinc/81/02/42/988810242.db2.gz UFEAXJFDAFINQM-CQSZACIVSA-N -1 0 395.431 3.003 20 50 GGGDRM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)CC1 ZINC001590003139 988927494 /nfs/dbraw/zinc/92/74/94/988927494.db2.gz AFOSGDQOPFOSQE-LBPRGKRZSA-N -1 0 395.431 3.004 20 50 GGGDRM CCc1nnc(-c2ccc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)cc2)o1 ZINC001597724474 989020403 /nfs/dbraw/zinc/02/04/03/989020403.db2.gz PGNUZUVWEHUXDT-UHFFFAOYSA-N -1 0 385.355 3.285 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590030372 989029974 /nfs/dbraw/zinc/02/99/74/989029974.db2.gz BKCYPHKZFTYJRA-AWEZNQCLSA-N -1 0 395.431 3.147 20 50 GGGDRM CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001590030907 989032234 /nfs/dbraw/zinc/03/22/34/989032234.db2.gz IBJWMYSXHJYLLN-HNNXBMFYSA-N -1 0 395.431 3.147 20 50 GGGDRM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001590073381 989156001 /nfs/dbraw/zinc/15/60/01/989156001.db2.gz UEROFIWVQZESOI-NSHDSACASA-N -1 0 397.859 3.128 20 50 GGGDRM CC(C)(C)OC(=O)N1CCc2cc(C(=O)NNc3cccc(C(=O)[O-])c3)ccc21 ZINC001590085305 989202214 /nfs/dbraw/zinc/20/22/14/989202214.db2.gz 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GGGDRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000824347748 608578049 /nfs/dbraw/zinc/57/80/49/608578049.db2.gz MLSZXRPNKJHYLD-HUUCEWRRSA-N -1 0 397.870 3.285 20 50 GGGDRM CC(C)Cc1ccc(CCC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000824280068 608578208 /nfs/dbraw/zinc/57/82/08/608578208.db2.gz CCDWRWVYNMUYCP-UHFFFAOYSA-N -1 0 399.886 3.190 20 50 GGGDRM CC[C@H](C)[C@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000825051004 608579354 /nfs/dbraw/zinc/57/93/54/608579354.db2.gz MTMUUBBLDUXZOE-ZBEGNZNMSA-N -1 0 385.859 3.188 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820076172 1428079959 /nfs/dbraw/zinc/07/99/59/1428079959.db2.gz FETPKOSKUPLNKM-UHFFFAOYSA-N -1 0 396.426 3.195 20 50 GGGDRM Cn1cc(C=C(C#N)C(=O)c2ccsc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359804 1428259242 /nfs/dbraw/zinc/25/92/42/1428259242.db2.gz QRXVYWIHRADTMB-NVNXTCNLSA-N -1 0 387.428 3.119 20 50 GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ncc(-c2ccccc2)s1 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O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130084 1429212930 /nfs/dbraw/zinc/21/29/30/1429212930.db2.gz IXIBOIXQKDDMET-UHFFFAOYSA-N -1 0 398.426 3.210 20 50 GGGDRM C[C@@H]1CCCC1=NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736261027 1429263140 /nfs/dbraw/zinc/26/31/40/1429263140.db2.gz JTJYBEDCUDYAID-CQSZACIVSA-N -1 0 390.447 3.205 20 50 GGGDRM O=C(CCCOc1ccc2c(c1)CCCC2)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406053 1429466246 /nfs/dbraw/zinc/46/62/46/1429466246.db2.gz GCTBTGMCLBWIJE-UHFFFAOYSA-N -1 0 392.463 3.048 20 50 GGGDRM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000826464907 1429547841 /nfs/dbraw/zinc/54/78/41/1429547841.db2.gz RGKCZHVNEFDSLA-LQBHMHGISA-N -1 0 395.232 3.003 20 50 GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2ncccc21 ZINC000823281033 1429580589 /nfs/dbraw/zinc/58/05/89/1429580589.db2.gz MATFOKVWQMAIMJ-UHFFFAOYSA-N -1 0 399.336 3.191 20 50 GGGDRM COc1ccccc1[C@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821882627 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389.485 3.286 20 50 GGGDRM Cc1cc2cc(C(=O)NNc3oc(C(C)C)nc3-c3nnn[n-]3)oc2cc1C ZINC000822213124 945999085 /nfs/dbraw/zinc/99/90/85/945999085.db2.gz VTKSWRPHUWIMMA-UHFFFAOYSA-N -1 0 381.396 3.098 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC001595261718 949672986 /nfs/dbraw/zinc/67/29/86/949672986.db2.gz HFEXLTIZKGOULU-UHFFFAOYSA-N -1 0 379.401 3.142 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589645658 949730808 /nfs/dbraw/zinc/73/08/08/949730808.db2.gz NNMKMEWNROPTIU-INIZCTEOSA-N -1 0 378.469 3.154 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001589656027 949818852 /nfs/dbraw/zinc/81/88/52/949818852.db2.gz PLOXYAIVJDWQGU-KTKRTIGZSA-N -1 0 387.461 3.351 20 50 GGGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001589660099 949859136 /nfs/dbraw/zinc/85/91/36/949859136.db2.gz DKHYJJLWFZYADA-BOPFTXTBSA-N -1 0 383.423 3.463 20 50 GGGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001589660133 949860711 /nfs/dbraw/zinc/86/07/11/949860711.db2.gz DOQBUJDOHCOISL-LDADJPATSA-N -1 0 395.459 3.333 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC001589667386 949905275 /nfs/dbraw/zinc/90/52/75/949905275.db2.gz QSLRYUYGEMLJRE-CXVQAYDKSA-N -1 0 383.492 3.381 20 50 GGGDRM CCCc1c(NC(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccccc1C ZINC001589689043 950100669 /nfs/dbraw/zinc/10/06/69/950100669.db2.gz JBNRCTNHVITUSA-UHFFFAOYSA-N -1 0 394.435 3.375 20 50 GGGDRM CC(C)(C)C[C@H](NC(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1)c1ccc(F)cc1 ZINC001573842603 950153843 /nfs/dbraw/zinc/15/38/43/950153843.db2.gz IZKYTDVQQHRNCE-HNNXBMFYSA-N -1 0 398.446 3.204 20 50 GGGDRM CC(C)(C)c1ccc(Cl)cc1NC(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1 ZINC001573882087 950769133 /nfs/dbraw/zinc/76/91/33/950769133.db2.gz RJPOFGYZMYCCRQ-UHFFFAOYSA-N -1 0 386.847 3.361 20 50 GGGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000368889862 951144201 /nfs/dbraw/zinc/14/42/01/951144201.db2.gz SCDBJVIYFNSAQJ-UHFFFAOYSA-N -1 0 389.883 3.457 20 50 GGGDRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C1 ZINC001595012374 951258413 /nfs/dbraw/zinc/25/84/13/951258413.db2.gz CUUGGTJREKDVPE-YEWWUXTCSA-N -1 0 380.282 3.195 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)[O-])c2C)cc1 ZINC001592255276 951317570 /nfs/dbraw/zinc/31/75/70/951317570.db2.gz JJSCKIWCKZXTRT-QCUKBLKESA-N -1 0 395.459 3.379 20 50 GGGDRM CCOc1ccc(-c2nc(C(=O)NNc3ncccc3C(=O)[O-])cs2)cc1 ZINC001592255282 951317716 /nfs/dbraw/zinc/31/77/16/951317716.db2.gz JWSVBAUTQWAEDD-UHFFFAOYSA-N -1 0 384.417 3.059 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC)C(=O)[O-])c2C)cc1 ZINC001592255369 951320113 /nfs/dbraw/zinc/32/01/13/951320113.db2.gz SLHLIXGWKQHMQC-KEWOFRHOSA-N -1 0 395.459 3.379 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001592425536 951326984 /nfs/dbraw/zinc/32/69/84/951326984.db2.gz AHUDHVBQJAXIMZ-BHMPTGKFSA-N -1 0 376.412 3.422 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001592425529 951327025 /nfs/dbraw/zinc/32/70/25/951327025.db2.gz AFMZFZDVLJJZHH-QAVIUFRISA-N -1 0 390.439 3.319 20 50 GGGDRM O=C([O-])CCCCC(=O)NNc1c(Br)cccc1Br ZINC001595032813 951382359 /nfs/dbraw/zinc/38/23/59/951382359.db2.gz XKZQWQUOGUVJMX-UHFFFAOYSA-N -1 0 394.063 3.300 20 50 GGGDRM O=C([O-])Cc1cccc(NC(=O)NNc2ccc(Br)c(F)c2)c1 ZINC001595131734 952035297 /nfs/dbraw/zinc/03/52/97/952035297.db2.gz HFPBNDNPTKSGPM-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM O=C([O-])Cc1cccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 ZINC001595132055 952038832 /nfs/dbraw/zinc/03/88/32/952038832.db2.gz ZOOWTRBEXUFXKV-UHFFFAOYSA-N -1 0 387.461 3.111 20 50 GGGDRM O=C([O-])c1ccccc1CNC(=O)NNc1ccc(F)cc1Br ZINC001594772109 953571116 /nfs/dbraw/zinc/57/11/16/953571116.db2.gz SGWAJIGBKAWADE-UHFFFAOYSA-N -1 0 382.189 3.113 20 50 GGGDRM O=C([O-])c1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1 ZINC001594779658 953617372 /nfs/dbraw/zinc/61/73/72/953617372.db2.gz AWFYKYSPZAEROI-UHFFFAOYSA-N -1 0 395.169 3.204 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001594779639 953617988 /nfs/dbraw/zinc/61/79/88/953617988.db2.gz ACMFXSZQMJOKID-JGVFFNPUSA-N -1 0 381.148 3.022 20 50 GGGDRM O=C([O-])[C@H]1CC(C(=O)NNc2cccc(Cl)c2Cl)=NN1c1ccccc1 ZINC001594780110 953622066 /nfs/dbraw/zinc/62/20/66/953622066.db2.gz IZEWOOMJHIFHIP-CQSZACIVSA-N -1 0 393.230 3.156 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001594781029 953628856 /nfs/dbraw/zinc/62/88/56/953628856.db2.gz DBGCGLIHPYMUAY-UHFFFAOYSA-N -1 0 393.359 3.189 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001594781380 953631471 /nfs/dbraw/zinc/63/14/71/953631471.db2.gz LRTIFEOCFSNGDG-UHFFFAOYSA-N -1 0 394.343 3.237 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC001594781381 953631733 /nfs/dbraw/zinc/63/17/33/953631733.db2.gz LRXWRPWHXCLGNI-UHFFFAOYSA-N -1 0 390.812 3.100 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001594781620 953634655 /nfs/dbraw/zinc/63/46/55/953634655.db2.gz QYTXXDBKHOMMCP-UHFFFAOYSA-N -1 0 388.836 3.237 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001594781762 953635515 /nfs/dbraw/zinc/63/55/15/953635515.db2.gz GEKMMVUMOQNLQI-UHFFFAOYSA-N -1 0 390.359 3.132 20 50 GGGDRM O=C([O-])[C@]1(NC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CCOC1 ZINC001594810263 953809865 /nfs/dbraw/zinc/80/98/65/953809865.db2.gz JMVRNVUFVMPLEJ-GWCFXTLKSA-N -1 0 398.790 3.271 20 50 GGGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001602970133 971967296 /nfs/dbraw/zinc/96/72/96/971967296.db2.gz NBYBIIGDOUYANX-SNVBAGLBSA-N -1 0 397.806 3.033 20 50 GGGDRM CN(C)c1cc(NC(=O)NNc2ncccc2C(=O)[O-])cc(C(F)(F)F)c1 ZINC001593710865 954186264 /nfs/dbraw/zinc/18/62/64/954186264.db2.gz NGDZQPBDPWXBFQ-UHFFFAOYSA-N -1 0 383.330 3.013 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CCSCC1 ZINC001594865606 954315422 /nfs/dbraw/zinc/31/54/22/954315422.db2.gz ZTHKZNCDFMQOSX-UHFFFAOYSA-N -1 0 382.791 3.400 20 50 GGGDRM O=C([O-])C1(C(=O)NNc2ccc(OCc3ccccc3)cc2)CCSCC1 ZINC001594867373 954320570 /nfs/dbraw/zinc/32/05/70/954320570.db2.gz MGPWQWLLBWFBGO-UHFFFAOYSA-N -1 0 386.473 3.307 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC001594902818 954648567 /nfs/dbraw/zinc/64/85/67/954648567.db2.gz OVUJUDDZIRKPCO-SJORKVTESA-N -1 0 379.865 3.059 20 50 GGGDRM CCC(CC)(CNC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC001589481493 954978907 /nfs/dbraw/zinc/97/89/07/954978907.db2.gz DFCQXXFYYGGJJI-ZNBBLSJYSA-N -1 0 389.496 3.227 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1cc(F)ccc1Br)C(=O)[O-] ZINC001589497563 955020838 /nfs/dbraw/zinc/02/08/38/955020838.db2.gz LIBQTHONXJZMIK-UHFFFAOYSA-N -1 0 376.226 3.105 20 50 GGGDRM CC[C@H](CNC(=O)NNc1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC001589538310 955179451 /nfs/dbraw/zinc/17/94/51/955179451.db2.gz HJYNRVMNPFEXKC-SSDOTTSWSA-N -1 0 398.179 3.205 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)C(=O)[O-])c2C)cc1 ZINC000737194111 955218740 /nfs/dbraw/zinc/21/87/40/955218740.db2.gz AKSXESABMQLWQX-DZBQEORWSA-N -1 0 395.459 3.237 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738059942 955232031 /nfs/dbraw/zinc/23/20/31/955232031.db2.gz LPAAOXUDCXUGAE-SKCQWOFPSA-N -1 0 395.459 3.485 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000738060101 955232039 /nfs/dbraw/zinc/23/20/39/955232039.db2.gz NYNRNAXKYPTIMH-GDXCHIGESA-N -1 0 395.459 3.485 20 50 GGGDRM Cc1cc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000738419302 955240001 /nfs/dbraw/zinc/24/00/01/955240001.db2.gz XXJLNWKPCQGLLP-UHFFFAOYSA-N -1 0 382.203 3.082 20 50 GGGDRM CC(C)CCOc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])c(F)c1 ZINC001603024305 972082841 /nfs/dbraw/zinc/08/28/41/972082841.db2.gz FBAORWZAXRFHQR-UHFFFAOYSA-N -1 0 376.388 3.492 20 50 GGGDRM COc1ccc(-c2cc(N)c(C(=O)NN=C3CCC(C(=O)[O-])CC3)s2)cc1 ZINC000814785043 955362000 /nfs/dbraw/zinc/36/20/00/955362000.db2.gz LWFAGMZXYTWQGC-UHFFFAOYSA-N -1 0 387.461 3.367 20 50 GGGDRM CC(C)C[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br)CC(=O)[O-] ZINC001603042028 972103673 /nfs/dbraw/zinc/10/36/73/972103673.db2.gz CRFVSTYCECDNKD-JOQOYGCGSA-N -1 0 382.298 3.345 20 50 GGGDRM O=C([O-])CCCCCNC(=O)NNc1ccc(Br)cc1Cl ZINC000840992169 955574289 /nfs/dbraw/zinc/57/42/89/955574289.db2.gz NAQSGIGWWDPRID-UHFFFAOYSA-N -1 0 378.654 3.374 20 50 GGGDRM O=C([O-])[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C[C@H]1c1ccccc1 ZINC000843334614 955638941 /nfs/dbraw/zinc/63/89/41/955638941.db2.gz CNRKPPOEWNWCQZ-GNPUXRKISA-N -1 0 392.293 3.267 20 50 GGGDRM C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846771382 955729014 /nfs/dbraw/zinc/72/90/14/955729014.db2.gz IUWOOXXJDISZHD-UHOFOFEASA-N -1 0 387.929 3.272 20 50 GGGDRM C[C@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848596498 955770913 /nfs/dbraw/zinc/77/09/13/955770913.db2.gz SRIBSZKCMQQDTJ-VBNZEHGJSA-N -1 0 389.496 3.064 20 50 GGGDRM C[C@]1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C[C@H]1Br ZINC000857101520 955911726 /nfs/dbraw/zinc/91/17/26/955911726.db2.gz ZPXRJKOEDPDVQX-CRAIPNDOSA-N -1 0 395.297 3.447 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC001593956085 956425244 /nfs/dbraw/zinc/42/52/44/956425244.db2.gz JFUBVEHGMJEGOP-GZQZNAIASA-N -1 0 387.480 3.123 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1C ZINC001593956091 956425618 /nfs/dbraw/zinc/42/56/18/956425618.db2.gz JGXZLPRUONVRQW-QCTOKRQISA-N -1 0 387.480 3.075 20 50 GGGDRM O=C([O-])C1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCCCC1 ZINC001594702962 956823905 /nfs/dbraw/zinc/82/39/05/956823905.db2.gz UCXDFXXEURBOLN-UHFFFAOYSA-N -1 0 384.885 3.005 20 50 GGGDRM C[C@@]1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@@H]1Br ZINC001589246310 956924359 /nfs/dbraw/zinc/92/43/59/956924359.db2.gz CXRHXNRULHPEGB-SDBXPKJASA-N -1 0 379.613 3.472 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)Cc2cccc3ccccc32)cc1)C(=O)[O-] ZINC000013136322 956947283 /nfs/dbraw/zinc/94/72/83/956947283.db2.gz KISOJBQQURWQLR-HNNXBMFYSA-N -1 0 376.412 3.385 20 50 GGGDRM O=C([O-])c1cccc(C(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC001574807380 957860801 /nfs/dbraw/zinc/86/08/01/957860801.db2.gz IFDOYKKTVDZURG-UHFFFAOYSA-N -1 0 399.410 3.389 20 50 GGGDRM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603199425 972302427 /nfs/dbraw/zinc/30/24/27/972302427.db2.gz BVMORDMGAISTFQ-JTQLQIEISA-N -1 0 383.326 3.000 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCOCC2)c(C)n1C1CCCCC1 ZINC001594301416 957916753 /nfs/dbraw/zinc/91/67/53/957916753.db2.gz ZZJVJRLLUNYJLJ-QGOAFFKASA-N -1 0 399.491 3.267 20 50 GGGDRM Cc1cc(NC(=O)NNc2ncccc2C(=O)[O-])ccc1Oc1cccnc1 ZINC001594322964 958136041 /nfs/dbraw/zinc/13/60/41/958136041.db2.gz KLCDCSRJXNMQGJ-UHFFFAOYSA-N -1 0 379.376 3.424 20 50 GGGDRM COc1cc(NNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594066780 958142418 /nfs/dbraw/zinc/14/24/18/958142418.db2.gz YAUULOGNBHLMOO-DZGCQCFKSA-N -1 0 375.812 3.288 20 50 GGGDRM COc1cc(NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001594066781 958142532 /nfs/dbraw/zinc/14/25/32/958142532.db2.gz YAUULOGNBHLMOO-HIFRSBDPSA-N -1 0 375.812 3.288 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)CCCC(=O)[O-])c2C)cc1 ZINC001594073590 958197856 /nfs/dbraw/zinc/19/78/56/958197856.db2.gz FZVXBHDMGDQYNA-AQTBWJFISA-N -1 0 395.459 3.333 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C(C)C)c2C)cc1 ZINC001594074172 958200701 /nfs/dbraw/zinc/20/07/01/958200701.db2.gz LNLQOBGGODYPAZ-WOJGMQOQSA-N -1 0 395.459 3.331 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])C(C)C)c2C)cc1 ZINC001594074841 958207541 /nfs/dbraw/zinc/20/75/41/958207541.db2.gz XBYUFBMJIHBRMQ-OWMRDYPQSA-N -1 0 395.459 3.235 20 50 GGGDRM COc1ccc(Br)c(NNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594075102 958213027 /nfs/dbraw/zinc/21/30/27/958213027.db2.gz BCFQDOLEJUSHEP-UHFFFAOYSA-N -1 0 379.210 3.221 20 50 GGGDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC000097591195 958348625 /nfs/dbraw/zinc/34/86/25/958348625.db2.gz HNHCMVMZQVIIJM-MRXNPFEDSA-N -1 0 379.865 3.235 20 50 GGGDRM C=C(Cl)CSc1nc(C)c(CC(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001588445086 958369122 /nfs/dbraw/zinc/36/91/22/958369122.db2.gz ACTAFMTUOAPDSA-UHFFFAOYSA-N -1 0 398.897 3.075 20 50 GGGDRM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594366576 958494052 /nfs/dbraw/zinc/49/40/52/958494052.db2.gz QALSEHWKQCFBSL-UHFFFAOYSA-N -1 0 399.838 3.052 20 50 GGGDRM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594372781 958551653 /nfs/dbraw/zinc/55/16/53/958551653.db2.gz GSTDMOJBJGNMJB-UHFFFAOYSA-N -1 0 386.408 3.192 20 50 GGGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2(CC(=O)[O-])CCOCC2)C1 ZINC001573462837 958922038 /nfs/dbraw/zinc/92/20/38/958922038.db2.gz PEQTXQGKLBUCSH-HNNXBMFYSA-N -1 0 385.577 3.271 20 50 GGGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001588634845 959644632 /nfs/dbraw/zinc/64/46/32/959644632.db2.gz WBURVBWEIFALML-AWEZNQCLSA-N -1 0 396.369 3.352 20 50 GGGDRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594256620 959653911 /nfs/dbraw/zinc/65/39/11/959653911.db2.gz GSFIPVZXKXEPQA-UHFFFAOYSA-N -1 0 396.350 3.474 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C3(C(=O)[O-])CC=CC3)cc2C1 ZINC001588643057 959712426 /nfs/dbraw/zinc/71/24/26/959712426.db2.gz KPOMTIVAVPEEBG-ZDUSSCGKSA-N -1 0 390.505 3.081 20 50 GGGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C ZINC001573757466 960568014 /nfs/dbraw/zinc/56/80/14/960568014.db2.gz CSCYZKSOYHNCRS-QMJOVRGKSA-N -1 0 383.423 3.462 20 50 GGGDRM CC[C@@H](CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC001573791095 960752109 /nfs/dbraw/zinc/75/21/09/960752109.db2.gz FTGZOMNBCDCNBN-ADFUCPMPSA-N -1 0 383.423 3.367 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001574318147 960803082 /nfs/dbraw/zinc/80/30/82/960803082.db2.gz OLEOLUDJASNMJJ-UHFFFAOYSA-N -1 0 383.282 3.377 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)n1-c1ccccc1F ZINC001574325715 960843529 /nfs/dbraw/zinc/84/35/29/960843529.db2.gz AHZAOQCIKLFUMK-RIYZIHGNSA-N -1 0 393.378 3.200 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001574326768 960861125 /nfs/dbraw/zinc/86/11/25/960861125.db2.gz VMYKWUKCENQBSO-LZOLKVDOSA-N -1 0 383.423 3.366 20 50 GGGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1 ZINC001573819192 960936373 /nfs/dbraw/zinc/93/63/73/960936373.db2.gz LMJRYHYAMGOVST-JLSDUUJJSA-N -1 0 380.282 3.195 20 50 GGGDRM Cc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1NC(=O)OC(C)(C)C ZINC001574357358 961008055 /nfs/dbraw/zinc/00/80/55/961008055.db2.gz OLNANRBCENNPSA-UHFFFAOYSA-N -1 0 386.408 3.192 20 50 GGGDRM CC(C)(C)Oc1c(F)cc(NC(=O)NNc2ncccc2C(=O)[O-])cc1F ZINC001588734655 961126493 /nfs/dbraw/zinc/12/64/93/961126493.db2.gz KEHLZNBCCBERBP-UHFFFAOYSA-N -1 0 380.351 3.384 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001574390124 961167411 /nfs/dbraw/zinc/16/74/11/961167411.db2.gz ZUBCTYLRKPPGTL-GNTJEMSZSA-N -1 0 377.444 3.289 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)n1-c1ccccc1C ZINC001574401494 961234181 /nfs/dbraw/zinc/23/41/81/961234181.db2.gz KMHNJIWRYGXCFI-SXGWCWSVSA-N -1 0 389.415 3.370 20 50 GGGDRM CCSc1nc(C)c([C@H](CC)C(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001573931904 961582702 /nfs/dbraw/zinc/58/27/02/961582702.db2.gz HSHURTLNGWGGQX-JTQLQIEISA-N -1 0 380.495 3.294 20 50 GGGDRM CC(C)[C@H](CNC(=O)NNc1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588825084 961665491 /nfs/dbraw/zinc/66/54/91/961665491.db2.gz PLTQIHDDAPGOGI-VIFPVBQESA-N -1 0 378.654 3.085 20 50 GGGDRM O=C([O-])c1c(F)ccc(NC(=O)NNCC(F)(F)C(F)(F)F)c1Cl ZINC001574578806 962093134 /nfs/dbraw/zinc/09/31/34/962093134.db2.gz PUKBRYUXPPEOHK-UHFFFAOYSA-N -1 0 379.644 3.001 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(C2SCCCS2)cc1 ZINC001574579221 962097071 /nfs/dbraw/zinc/09/70/71/962097071.db2.gz YMHCAYNYAJRTEW-UHFFFAOYSA-N -1 0 375.475 3.405 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(COCc2ccco2)c1 ZINC001574579234 962097264 /nfs/dbraw/zinc/09/72/64/962097264.db2.gz YODQSFQBMZUDCI-UHFFFAOYSA-N -1 0 382.376 3.238 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Cl)c(Br)c1)C1CCCC1 ZINC001574617970 962239154 /nfs/dbraw/zinc/23/91/54/962239154.db2.gz ZBVDJBAWHNCKCL-GFCCVEGCSA-N -1 0 375.650 3.437 20 50 GGGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CO1 ZINC001574686118 962611386 /nfs/dbraw/zinc/61/13/86/962611386.db2.gz JIIASKDPFIRTNU-PSASIEDQSA-N -1 0 380.750 3.072 20 50 GGGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CO1 ZINC001574686121 962611759 /nfs/dbraw/zinc/61/17/59/962611759.db2.gz JIIASKDPFIRTNU-WPRPVWTQSA-N -1 0 380.750 3.072 20 50 GGGDRM CC(C)c1cc(NC(=O)NNc2ncccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC001588962509 962626774 /nfs/dbraw/zinc/62/67/74/962626774.db2.gz HNVLHQJCRYNCMH-UHFFFAOYSA-N -1 0 380.408 3.238 20 50 GGGDRM C#CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573303093 962670087 /nfs/dbraw/zinc/67/00/87/962670087.db2.gz UUZNGWIGNWXPLW-SKTWIKFTSA-N -1 0 395.846 3.247 20 50 GGGDRM C[C@](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)(C(=O)[O-])c1ccccc1 ZINC000799251357 969178675 /nfs/dbraw/zinc/17/86/75/969178675.db2.gz RSHUPEGEDKZDHX-WPPQDWHVSA-N -1 0 380.282 3.099 20 50 GGGDRM CC(C)(CCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000818625274 969191299 /nfs/dbraw/zinc/19/12/99/969191299.db2.gz YHDYIBNEQUXKIM-UHFFFAOYSA-N -1 0 384.436 3.190 20 50 GGGDRM O=C([O-])[C@@H](C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCC1 ZINC001605814782 972538774 /nfs/dbraw/zinc/53/87/74/972538774.db2.gz SVRVKXFQAXXHAD-MRXNPFEDSA-N -1 0 390.436 3.206 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc3ccccc32)c2ccccc21 ZINC001605815728 972546410 /nfs/dbraw/zinc/54/64/10/972546410.db2.gz TUOSUNOUNSXTNW-MOPGFXCFSA-N -1 0 389.411 3.097 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC001605820776 972548828 /nfs/dbraw/zinc/54/88/28/972548828.db2.gz DCLMCBHBBMHFAH-UHFFFAOYSA-N -1 0 397.435 3.447 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605163776 972854876 /nfs/dbraw/zinc/85/48/76/972854876.db2.gz FUWPNDNZPGAHEU-HAKPAVFJSA-N -1 0 381.407 3.073 20 50 GGGDRM Cc1cc(CSc2ccccc2C(=O)NNc2ncccc2C(=O)[O-])on1 ZINC001605170901 972870733 /nfs/dbraw/zinc/87/07/33/972870733.db2.gz JNBKHXMRBIAHSK-UHFFFAOYSA-N -1 0 384.417 3.125 20 50 GGGDRM Cc1cccc(-n2cnc3cc(C(=O)NNc4ncccc4C(=O)[O-])ccc32)c1 ZINC001605318601 973148516 /nfs/dbraw/zinc/14/85/16/973148516.db2.gz HNVORCUQPXXXQO-UHFFFAOYSA-N -1 0 387.399 3.184 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC001604514766 973448837 /nfs/dbraw/zinc/44/88/37/973448837.db2.gz LRVTYUVRRIGMBK-MJOIQJIUSA-N -1 0 397.431 3.262 20 50 GGGDRM O=C([O-])COc1ccc(C(=O)NN=c2[nH]c3ccc(Cl)cc3s2)cc1 ZINC001606285228 973678358 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CC(C)c1ccc(CCC(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001591952645 976512543 /nfs/dbraw/zinc/51/25/43/976512543.db2.gz KGBOZZDJPFFUMA-UHFFFAOYSA-N -1 0 375.494 3.336 20 50 GGGDRM CC(C)c1ccc(OCCNC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591972593 976571786 /nfs/dbraw/zinc/57/17/86/976571786.db2.gz ORFBOTBWCGQBSH-UHFFFAOYSA-N -1 0 375.400 3.352 20 50 GGGDRM CC(C)c1ccc(OCCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001591972842 976572843 /nfs/dbraw/zinc/57/28/43/976572843.db2.gz PIIYNVREUSMJLE-UHFFFAOYSA-N -1 0 375.400 3.352 20 50 GGGDRM CC(C)c1cccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001591984160 976606996 /nfs/dbraw/zinc/60/69/96/976606996.db2.gz ZSXMEVOFDCMUCG-UHFFFAOYSA-N -1 0 378.226 3.423 20 50 GGGDRM CC(C)c1ccccc1OCCC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001591997643 976642846 /nfs/dbraw/zinc/64/28/46/976642846.db2.gz FFKFNXOIYSLFQX-UHFFFAOYSA-N -1 0 391.493 3.172 20 50 GGGDRM CC(C)c1nccnc1NNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001592039561 976762496 /nfs/dbraw/zinc/76/24/96/976762496.db2.gz MVTMLRJKDYLVIE-UHFFFAOYSA-N -1 0 395.366 3.091 20 50 GGGDRM CC(C)n1cc(Br)cc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592122535 976935723 /nfs/dbraw/zinc/93/57/23/976935723.db2.gz NGVPCOBGCSMMRP-UHFFFAOYSA-N -1 0 380.242 3.216 20 50 GGGDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592157602 977034258 /nfs/dbraw/zinc/03/42/58/977034258.db2.gz KIERNXPBWCOPTK-UHFFFAOYSA-N -1 0 397.410 3.484 20 50 GGGDRM C[C@@H](CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccc(F)cc1F ZINC001592226254 977417402 /nfs/dbraw/zinc/41/74/02/977417402.db2.gz ARKDUMZKWWXLEL-JTQLQIEISA-N -1 0 383.420 3.052 20 50 GGGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001592391205 977935514 /nfs/dbraw/zinc/93/55/14/977935514.db2.gz DUHNKXPEPWMACH-JTQLQIEISA-N -1 0 382.342 3.106 20 50 GGGDRM C[C@H](CC=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[O-] ZINC001592470949 978226806 /nfs/dbraw/zinc/22/68/06/978226806.db2.gz OGVFPAHECYBODC-OAHLLOKOSA-N -1 0 376.416 3.366 20 50 GGGDRM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592484940 978259740 /nfs/dbraw/zinc/25/97/40/978259740.db2.gz ILKSHFSEXXSTHI-CYBMUJFWSA-N -1 0 394.472 3.094 20 50 GGGDRM CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC000731562798 978298992 /nfs/dbraw/zinc/29/89/92/978298992.db2.gz GPDFYNNWKBKFGU-OQLLNIDSSA-N -1 0 395.371 3.166 20 50 GGGDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736137126 978305711 /nfs/dbraw/zinc/30/57/11/978305711.db2.gz RMEGVXWLVPQNMU-SFHVURJKSA-N -1 0 396.355 3.163 20 50 GGGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000736375921 978326294 /nfs/dbraw/zinc/32/62/94/978326294.db2.gz RHEWWVNYDFCAPF-JTQLQIEISA-N -1 0 398.179 3.203 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736431850 978334429 /nfs/dbraw/zinc/33/44/29/978334429.db2.gz HTGIPHURQHHAGZ-LJQANCHMSA-N -1 0 381.432 3.043 20 50 GGGDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000736762598 978354777 /nfs/dbraw/zinc/35/47/77/978354777.db2.gz BLRVRTCVTUFZFP-HZMBPMFUSA-N -1 0 384.344 3.107 20 50 GGGDRM CCCOc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1OC ZINC000737031865 978373723 /nfs/dbraw/zinc/37/37/23/978373723.db2.gz RZRBLGGXVVCMFF-UHFFFAOYSA-N -1 0 395.415 3.427 20 50 GGGDRM CCCc1c(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)[nH]c(C)c1C(=O)[O-] ZINC000737042390 978374415 /nfs/dbraw/zinc/37/44/15/978374415.db2.gz BYSZEIMIBOWCEK-UHFFFAOYSA-N -1 0 397.353 3.067 20 50 GGGDRM CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c1C ZINC000737049577 978375407 /nfs/dbraw/zinc/37/54/07/978375407.db2.gz AYQDBUXMYQLRFM-VIZOYTHASA-N -1 0 384.388 3.139 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000737050100 978376348 /nfs/dbraw/zinc/37/63/48/978376348.db2.gz ITRGLBJTXAINDR-CBXNMNPBSA-N -1 0 379.460 3.407 20 50 GGGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000737093429 978379243 /nfs/dbraw/zinc/37/92/43/978379243.db2.gz HMADPGLBUKGPEH-ATVHPVEESA-N -1 0 383.423 3.463 20 50 GGGDRM C[C@H](CCOCc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592529053 978383335 /nfs/dbraw/zinc/38/33/35/978383335.db2.gz KPUFKKPBQFKWKI-CYBMUJFWSA-N -1 0 375.400 3.145 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCCNC(=O)[O-])c2C)cc1 ZINC000737195050 978386546 /nfs/dbraw/zinc/38/65/46/978386546.db2.gz UFAUALHKSIZATK-SFQUDFHCSA-N -1 0 397.431 3.211 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCCNC(=O)[O-])c2C)cc1 ZINC000737195048 978386827 /nfs/dbraw/zinc/38/68/27/978386827.db2.gz UFAUALHKSIZATK-ATVHPVEESA-N -1 0 397.431 3.211 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737195740 978387568 /nfs/dbraw/zinc/38/75/68/978387568.db2.gz XTDMHAFHWPMMMY-AUWJEWJLSA-N -1 0 381.344 3.237 20 50 GGGDRM CCOc1ccc(OC(C)(C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737204217 978388085 /nfs/dbraw/zinc/38/80/85/978388085.db2.gz UNNVOQIQENYUOQ-UHFFFAOYSA-N -1 0 389.360 3.455 20 50 GGGDRM CCc1[nH]c(C(=O)NNc2ccc(Br)c(C)c2)c(C)c1C(=O)[O-] ZINC000737243030 978390569 /nfs/dbraw/zinc/39/05/69/978390569.db2.gz AHSTUZRMOINTLP-UHFFFAOYSA-N -1 0 380.242 3.412 20 50 GGGDRM CCc1[nH]c(C(=O)NNC(=S)Nc2ccccc2C(C)C)c(C)c1C(=O)[O-] ZINC000737244314 978390922 /nfs/dbraw/zinc/39/09/22/978390922.db2.gz MLIBBALAGVRESV-UHFFFAOYSA-N -1 0 388.493 3.339 20 50 GGGDRM COc1cc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)ccc1OC(C)C ZINC000737848539 978449925 /nfs/dbraw/zinc/44/99/25/978449925.db2.gz CFLOJXTZSBPOJH-UHFFFAOYSA-N -1 0 395.415 3.426 20 50 GGGDRM COc1cc(C(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC(C)C ZINC000737849899 978450797 /nfs/dbraw/zinc/45/07/97/978450797.db2.gz XOWBJTMOCCGKQC-KRWDZBQOSA-N -1 0 392.839 3.196 20 50 GGGDRM COc1cc(OC)c(NC(=O)NN=Cc2ccccc2C(=O)[O-])cc1Cl ZINC000737899401 978455271 /nfs/dbraw/zinc/45/52/71/978455271.db2.gz LHFPKFRNPPAGSS-UHFFFAOYSA-N -1 0 377.784 3.211 20 50 GGGDRM COc1ccc(NC(=O)NNC(=O)[O-])cc1OCc1ccc2ccccc2n1 ZINC000738033725 978468389 /nfs/dbraw/zinc/46/83/89/978468389.db2.gz BXBDKNMAJOLRHA-UHFFFAOYSA-N -1 0 382.376 3.127 20 50 GGGDRM COc1ccc(S[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738068585 978472346 /nfs/dbraw/zinc/47/23/46/978472346.db2.gz CHZPRWAIXLCWSV-SNVBAGLBSA-N -1 0 377.374 3.388 20 50 GGGDRM COc1ccc(S[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738068584 978472578 /nfs/dbraw/zinc/47/25/78/978472578.db2.gz CHZPRWAIXLCWSV-JTQLQIEISA-N -1 0 377.374 3.388 20 50 GGGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1c(F)cc(F)cc1Br ZINC000738166114 978491764 /nfs/dbraw/zinc/49/17/64/978491764.db2.gz LMASKBYUCXVOFV-UHFFFAOYSA-N -1 0 388.168 3.127 20 50 GGGDRM Cc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1-c1ccccc1F ZINC000738287677 978511837 /nfs/dbraw/zinc/51/18/37/978511837.db2.gz YMXHVPLOWXUHTQ-UHFFFAOYSA-N -1 0 385.307 3.145 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)[O-])c(C)n1-c1ccccc1 ZINC000738332534 978517209 /nfs/dbraw/zinc/51/72/09/978517209.db2.gz JCOPBHNXOUBNDX-UHFFFAOYSA-N -1 0 392.415 3.259 20 50 GGGDRM Cc1cc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000738332013 978517489 /nfs/dbraw/zinc/51/74/89/978517489.db2.gz BBLFEJQRVTZOMW-LJQANCHMSA-N -1 0 381.407 3.294 20 50 GGGDRM Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2F)n1 ZINC000738368471 978525721 /nfs/dbraw/zinc/52/57/21/978525721.db2.gz HERVHUZVMFHARN-UHFFFAOYSA-N -1 0 399.334 3.454 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1F ZINC000738378180 978528301 /nfs/dbraw/zinc/52/83/01/978528301.db2.gz BOGYNCQZXIWCGE-GYKGCMEESA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(C=NNC(=O)NCc2ccc(Cl)cc2)cc(C)c1OCC(=O)[O-] ZINC000738379054 978529745 /nfs/dbraw/zinc/52/97/45/978529745.db2.gz MTFDJLMOADZFHN-UHFFFAOYSA-N -1 0 389.839 3.254 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)NCCSCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000738378786 978529766 /nfs/dbraw/zinc/52/97/66/978529766.db2.gz JGZLNVCPSJRTKC-GZTJUZNOSA-N -1 0 389.521 3.451 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000738379170 978529862 /nfs/dbraw/zinc/52/98/62/978529862.db2.gz POCATXLCTFBBJE-VJMCZWTHSA-N -1 0 385.851 3.491 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738379789 978530553 /nfs/dbraw/zinc/53/05/53/978530553.db2.gz RDHZMYJYSZNDJL-NWRYFCBHSA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)c(C)n1C[C@@H]1CCCO1 ZINC000738379220 978530556 /nfs/dbraw/zinc/53/05/56/978530556.db2.gz QBBGZCNRDYYGQJ-ULUBDBHXSA-N -1 0 398.415 3.226 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])co2)c(C)n1C[C@H]1CCCO1 ZINC000738379224 978530588 /nfs/dbraw/zinc/53/05/88/978530588.db2.gz QBBGZCNRDYYGQJ-WWQCUGACSA-N -1 0 398.415 3.226 20 50 GGGDRM Cc1ccc(-c2cc(C(=O)NN=Cc3c[nH]c4ccc(C(=O)[O-])cc34)[nH]n2)cc1 ZINC000738488097 978547227 /nfs/dbraw/zinc/54/72/27/978547227.db2.gz GXYYNHPNIGFUTJ-UHFFFAOYSA-N -1 0 387.399 3.329 20 50 GGGDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000738561696 978559900 /nfs/dbraw/zinc/55/99/00/978559900.db2.gz NJSSEQUDZVQXPM-QGZVFWFLSA-N -1 0 381.881 3.352 20 50 GGGDRM Cc1ccc(C)n1-c1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738579255 978566238 /nfs/dbraw/zinc/56/62/38/978566238.db2.gz QNKALKINGBLXAY-HXUWFJFHSA-N -1 0 388.427 3.026 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000738681313 978586837 /nfs/dbraw/zinc/58/68/37/978586837.db2.gz TUYIUHCFZBRGJK-MXDDHBLUSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738831450 978604560 /nfs/dbraw/zinc/60/45/60/978604560.db2.gz FJFPDUSMXFXBCN-HNNXBMFYSA-N -1 0 385.420 3.318 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738832562 978604564 /nfs/dbraw/zinc/60/45/64/978604564.db2.gz RJRINPUZVADITF-UHFFFAOYSA-N -1 0 396.428 3.283 20 50 GGGDRM Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738956374 978610577 /nfs/dbraw/zinc/61/05/77/978610577.db2.gz UDOIVYBKQFWCBI-UHFFFAOYSA-N -1 0 388.357 3.466 20 50 GGGDRM Cc1oc(C=NNC(=O)c2ccc(Br)cc2Cl)cc1C(=O)[O-] ZINC000738969120 978611399 /nfs/dbraw/zinc/61/13/99/978611399.db2.gz HRIGAPLNVCUOPL-UHFFFAOYSA-N -1 0 385.601 3.466 20 50 GGGDRM O=C([O-])c1cc(OC(=O)CCCc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000739244488 978623718 /nfs/dbraw/zinc/62/37/18/978623718.db2.gz UABHRCGYCUTNPG-UHFFFAOYSA-N -1 0 397.343 3.271 20 50 GGGDRM O=C([O-])c1cc(OC(=O)COc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000739324751 978628473 /nfs/dbraw/zinc/62/84/73/978628473.db2.gz SUJPASJXYYLYGR-UHFFFAOYSA-N -1 0 396.149 3.040 20 50 GGGDRM O=C([O-])c1cc(OC(=O)COc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000739325031 978628581 /nfs/dbraw/zinc/62/85/81/978628581.db2.gz XDLKFUCLWWAALE-UHFFFAOYSA-N -1 0 385.250 3.296 20 50 GGGDRM O=C([O-])c1cc(OC(=O)COc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000739336859 978629111 /nfs/dbraw/zinc/62/91/11/978629111.db2.gz KIYJMZCLVUUGIJ-UHFFFAOYSA-N -1 0 385.250 3.296 20 50 GGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000739453455 978637742 /nfs/dbraw/zinc/63/77/42/978637742.db2.gz INNORVKEYRGQSL-NSHDSACASA-N -1 0 389.658 3.224 20 50 GGGDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739560497 978645262 /nfs/dbraw/zinc/64/52/62/978645262.db2.gz NUPNHRJFVRUWGH-XIRDDKMYSA-N -1 0 385.913 3.264 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739560493 978645306 /nfs/dbraw/zinc/64/53/06/978645306.db2.gz NUPNHRJFVRUWGH-PVAVHDDUSA-N -1 0 385.913 3.264 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739560489 978645318 /nfs/dbraw/zinc/64/53/18/978645318.db2.gz NUPNHRJFVRUWGH-OIISXLGYSA-N -1 0 385.913 3.264 20 50 GGGDRM O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1 ZINC000739666182 978647479 /nfs/dbraw/zinc/64/74/79/978647479.db2.gz FPXGGFIMSIHGRT-KRWDZBQOSA-N -1 0 381.881 3.352 20 50 GGGDRM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000739672658 978648730 /nfs/dbraw/zinc/64/87/30/978648730.db2.gz YWDUXIHATJKGHZ-UHFFFAOYSA-N -1 0 383.853 3.122 20 50 GGGDRM O=C([O-])NCCCC(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000739956262 978660353 /nfs/dbraw/zinc/66/03/53/978660353.db2.gz DUIZIJBGFOQTCG-UHFFFAOYSA-N -1 0 385.045 3.247 20 50 GGGDRM O=C([O-])NNC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC000740002329 978662255 /nfs/dbraw/zinc/66/22/55/978662255.db2.gz GSHIKEFVECQQFF-UHFFFAOYSA-N -1 0 380.198 3.332 20 50 GGGDRM O=C([O-])c1cc(OS(=O)(=O)c2ccc(CCCCl)cc2)ccc1[N+](=O)[O-] ZINC000740088723 978667754 /nfs/dbraw/zinc/66/77/54/978667754.db2.gz WYZZIRDIHPQZOB-UHFFFAOYSA-N -1 0 399.808 3.232 20 50 GGGDRM O=C([O-])c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)s1 ZINC000740109516 978669502 /nfs/dbraw/zinc/66/95/02/978669502.db2.gz AGGIKVOPWMEACD-UHFFFAOYSA-N -1 0 377.166 3.244 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000740306586 978674403 /nfs/dbraw/zinc/67/44/03/978674403.db2.gz FAJFCVUYTBYLET-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cccc(Oc3cnccn3)c2)ccc1[N+](=O)[O-] ZINC000740306552 978674415 /nfs/dbraw/zinc/67/44/15/978674415.db2.gz CIHFMQKUWCICEH-UHFFFAOYSA-N -1 0 381.300 3.095 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OC3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000740306512 978674504 /nfs/dbraw/zinc/67/45/04/978674504.db2.gz BIHJZSQFRILUCK-UHFFFAOYSA-N -1 0 387.344 3.070 20 50 GGGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc32)[nH]1 ZINC000749807785 978689332 /nfs/dbraw/zinc/68/93/32/978689332.db2.gz OOFBCCNYYXTMMX-UHFFFAOYSA-N -1 0 385.383 3.087 20 50 GGGDRM Cc1ccc([C@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C(=O)[O-])cc1 ZINC000776641980 978764643 /nfs/dbraw/zinc/76/46/43/978764643.db2.gz MTJSTCMTNGCROR-CTNYNGJSSA-N -1 0 380.282 3.233 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794692209 978816814 /nfs/dbraw/zinc/81/68/14/978816814.db2.gz ULJPBVMKSXQHRE-AZZDOICSSA-N -1 0 386.354 3.040 20 50 GGGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794861005 978824029 /nfs/dbraw/zinc/82/40/29/978824029.db2.gz ZOJATTVKPSUAQE-INIZCTEOSA-N -1 0 398.459 3.499 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794870188 978824775 /nfs/dbraw/zinc/82/47/75/978824775.db2.gz HWRUEMLHVFCGRQ-LBPRGKRZSA-N -1 0 392.864 3.434 20 50 GGGDRM Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000794881649 978825835 /nfs/dbraw/zinc/82/58/35/978825835.db2.gz XHRBKQLBUVGBBX-HZPDHXFCSA-N -1 0 384.432 3.073 20 50 GGGDRM Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)[nH]n2)cc1 ZINC000794894499 978826484 /nfs/dbraw/zinc/82/64/84/978826484.db2.gz HQXIJCODUKVHHM-AWEZNQCLSA-N -1 0 392.415 3.001 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000794909225 978828112 /nfs/dbraw/zinc/82/81/12/978828112.db2.gz NZENXYWTAQQIEV-LLVKDONJSA-N -1 0 380.322 3.321 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794935811 978830926 /nfs/dbraw/zinc/83/09/26/978830926.db2.gz KIHRNWGJEQEEBQ-QWHCGFSZSA-N -1 0 390.823 3.110 20 50 GGGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794935810 978830970 /nfs/dbraw/zinc/83/09/70/978830970.db2.gz KIHRNWGJEQEEBQ-OLZOCXBDSA-N -1 0 390.823 3.110 20 50 GGGDRM O=C([O-])Cn1cc(C=NNC(=O)CCSc2ccc(F)cc2)c2ccccc21 ZINC000799870433 978842714 /nfs/dbraw/zinc/84/27/14/978842714.db2.gz LLLOTQNWLNYFNF-UHFFFAOYSA-N -1 0 399.447 3.498 20 50 GGGDRM O=C([O-])Cn1cc(C=NNC(=O)NCc2ccc(Cl)cc2)c2ccccc21 ZINC000799880199 978844264 /nfs/dbraw/zinc/84/42/64/978844264.db2.gz GWZZTFBPEDWDDL-UHFFFAOYSA-N -1 0 384.823 3.213 20 50 GGGDRM COc1ccc(Br)c(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000814836004 978891067 /nfs/dbraw/zinc/89/10/67/978891067.db2.gz GQXDJZJDKMFAQQ-UWVGGRQHSA-N -1 0 383.242 3.064 20 50 GGGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccc(F)cc1 ZINC000823357958 978938273 /nfs/dbraw/zinc/93/82/73/978938273.db2.gz HXEZDVUTSLBPER-KCGLVANISA-N -1 0 384.245 3.064 20 50 GGGDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595027966 979146637 /nfs/dbraw/zinc/14/66/37/979146637.db2.gz AOOKLVVTOJLBRP-GFCCVEGCSA-N -1 0 381.436 3.474 20 50 GGGDRM CCC(CC)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C ZINC001595048636 979266797 /nfs/dbraw/zinc/26/67/97/979266797.db2.gz DISZFAYCUZYLCD-PACYTGELSA-N -1 0 389.496 3.369 20 50 GGGDRM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595071480 979342148 /nfs/dbraw/zinc/34/21/48/979342148.db2.gz ADNGSBNLRIFSQZ-UHFFFAOYSA-N -1 0 393.484 3.088 20 50 GGGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccc(Br)cc2C(F)(F)F)C1 ZINC000846705537 979462513 /nfs/dbraw/zinc/46/25/13/979462513.db2.gz FSVJHGDGLBKUKP-JGVFFNPUSA-N -1 0 395.175 3.412 20 50 GGGDRM CCC(CC)n1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001595122126 979501698 /nfs/dbraw/zinc/50/16/98/979501698.db2.gz QDLUWXRNWCINCG-UHFFFAOYSA-N -1 0 395.257 3.462 20 50 GGGDRM C[C@@H](Cc1ccc(Br)cc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592834828 979580392 /nfs/dbraw/zinc/58/03/92/979580392.db2.gz YEWDFEKHHRNCEM-LBPRGKRZSA-N -1 0 391.265 3.398 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1ccccc1F ZINC001595149759 979636800 /nfs/dbraw/zinc/63/68/00/979636800.db2.gz JDTBLZHWMMIRSD-LBPRGKRZSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)Oc1ccccc1Cl ZINC001595150699 979643423 /nfs/dbraw/zinc/64/34/23/979643423.db2.gz XVNNLGCYKBNGMC-HNNXBMFYSA-N -1 0 391.855 3.451 20 50 GGGDRM C[C@@H](Cc1ccc(NC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592872362 979728950 /nfs/dbraw/zinc/72/89/50/979728950.db2.gz KGOFGPQDMOIUDT-JTQLQIEISA-N -1 0 376.344 3.146 20 50 GGGDRM C[C@@H](Cc1ccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC001592873871 979737977 /nfs/dbraw/zinc/73/79/77/979737977.db2.gz WCSKMIRMZQAPMB-NPFQLIISSA-N -1 0 399.491 3.319 20 50 GGGDRM CC[C@@](COC)(NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC001595186987 979838333 /nfs/dbraw/zinc/83/83/33/979838333.db2.gz HTQQLURADUEZCW-VTCDDQIKSA-N -1 0 389.496 3.054 20 50 GGGDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595211077 979987932 /nfs/dbraw/zinc/98/79/32/979987932.db2.gz DGNHXJXTNCXIDP-LBPRGKRZSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc2c(c1)OCCO2 ZINC001595252467 980219459 /nfs/dbraw/zinc/21/94/59/980219459.db2.gz LOIDSCHZPCWQPE-CYBMUJFWSA-N -1 0 389.383 3.073 20 50 GGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc2c(c1)OCCO2 ZINC001595252468 980220505 /nfs/dbraw/zinc/22/05/05/980220505.db2.gz LOIDSCHZPCWQPE-ZDUSSCGKSA-N -1 0 389.383 3.073 20 50 GGGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC001595252848 980224576 /nfs/dbraw/zinc/22/45/76/980224576.db2.gz QNLIHEOUEDIXSL-OAHLLOKOSA-N -1 0 387.436 3.488 20 50 GGGDRM CC[C@@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1cccc(OC)c1OC ZINC001595252935 980225043 /nfs/dbraw/zinc/22/50/43/980225043.db2.gz SEBHMNHVFQRPJA-CQSZACIVSA-N -1 0 391.399 3.319 20 50 GGGDRM CC[C@]1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001595367150 980818827 /nfs/dbraw/zinc/81/88/27/980818827.db2.gz ZSLISKUHDXCWNT-IBGZPJMESA-N -1 0 395.431 3.004 20 50 GGGDRM CC[C@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2C)CCN1C(=O)OC(C)(C)C ZINC001595405220 980985177 /nfs/dbraw/zinc/98/51/77/980985177.db2.gz PYROYDOYVBSLQW-ZBFHGGJFSA-N -1 0 391.468 3.172 20 50 GGGDRM CCCC(=O)Nc1ccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595529287 981362148 /nfs/dbraw/zinc/36/21/48/981362148.db2.gz JWJUPYOABLRDTE-UHFFFAOYSA-N -1 0 388.399 3.089 20 50 GGGDRM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595547553 981420709 /nfs/dbraw/zinc/42/07/09/981420709.db2.gz UIEGLJGHUDVNQL-GOSISDBHSA-N -1 0 383.420 3.051 20 50 GGGDRM O=C([O-])[C@H]1CCc2sc(NC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)nc2C1 ZINC000910677386 982051286 /nfs/dbraw/zinc/05/12/86/982051286.db2.gz NVTUEIYVMJBSHW-UPSZOLPNSA-N -1 0 399.310 3.225 20 50 GGGDRM O=C([O-])Cn1ncc2ccc(NC(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)cc21 ZINC000911073170 982226197 /nfs/dbraw/zinc/22/61/97/982226197.db2.gz SNFNAJHATHFRRX-NCAQKEMTSA-N -1 0 392.253 3.013 20 50 GGGDRM CCCCOc1cc(OC)ccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595774634 982533700 /nfs/dbraw/zinc/53/37/00/982533700.db2.gz XIVLPZITJBVCAV-UHFFFAOYSA-N -1 0 376.384 3.468 20 50 GGGDRM CCCCc1ccc(CC(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001595793871 982597062 /nfs/dbraw/zinc/59/70/62/982597062.db2.gz RCXVJQQLSPESSB-UHFFFAOYSA-N -1 0 375.494 3.165 20 50 GGGDRM CCCCc1ccc(NC(=S)NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC001595797015 982604278 /nfs/dbraw/zinc/60/42/78/982604278.db2.gz QXZQKNQEUNVLJO-UHFFFAOYSA-N -1 0 388.493 3.304 20 50 GGGDRM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594941857 982615438 /nfs/dbraw/zinc/61/54/38/982615438.db2.gz DZCDIMRMFCQGRP-ABAIWWIYSA-N -1 0 397.447 3.297 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)[O-])cn2)c1C ZINC001595802915 982622589 /nfs/dbraw/zinc/62/25/89/982622589.db2.gz MUMAYIBPYIFFOW-VCHYOVAHSA-N -1 0 380.448 3.222 20 50 GGGDRM CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001594944137 982625829 /nfs/dbraw/zinc/62/58/29/982625829.db2.gz BXIBJPRNPFPPFC-DOMZBBRYSA-N -1 0 379.457 3.157 20 50 GGGDRM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OCC(=O)[O-])cc1 ZINC000915851604 982668465 /nfs/dbraw/zinc/66/84/65/982668465.db2.gz IVWVXJKRSWSDDL-DHDCSXOGSA-N -1 0 396.399 3.062 20 50 GGGDRM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595821165 982688944 /nfs/dbraw/zinc/68/89/44/982688944.db2.gz FVBQDGUPGSPNOR-NSHDSACASA-N -1 0 383.420 3.003 20 50 GGGDRM CC[C@H](C)NC(=O)c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001594991143 982852610 /nfs/dbraw/zinc/85/26/10/982852610.db2.gz BEWZHZVCTBYGSC-ZDUSSCGKSA-N -1 0 398.463 3.048 20 50 GGGDRM CC[C@@H](C)Oc1ccc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001594999208 982905472 /nfs/dbraw/zinc/90/54/72/982905472.db2.gz BGZIJHJTCPWGOE-GFCCVEGCSA-N -1 0 377.466 3.071 20 50 GGGDRM O=C([O-])c1ccc(COc2ccccc2C=NNC(=O)c2ccccc2O)cc1 ZINC001084404812 982922834 /nfs/dbraw/zinc/92/28/34/982922834.db2.gz ZZRSRVGHPLROEW-UHFFFAOYSA-N -1 0 390.395 3.433 20 50 GGGDRM CCCOc1cc(C)ccc1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595949899 983117786 /nfs/dbraw/zinc/11/77/86/983117786.db2.gz DRLUUWLJXSZKAG-UHFFFAOYSA-N -1 0 375.400 3.447 20 50 GGGDRM CCCOc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)cc1OC ZINC001595957070 983147944 /nfs/dbraw/zinc/14/79/44/983147944.db2.gz UTZXEBICYMVEEN-UHFFFAOYSA-N -1 0 387.436 3.317 20 50 GGGDRM CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595975554 983212174 /nfs/dbraw/zinc/21/21/74/983212174.db2.gz KSXVCMPZQSOHPE-UHFFFAOYSA-N -1 0 394.431 3.425 20 50 GGGDRM CCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595987571 983239192 /nfs/dbraw/zinc/23/91/92/983239192.db2.gz KQBMPFIMNQUAPL-MJLBXUHQSA-N -1 0 395.459 3.379 20 50 GGGDRM CCCc1c(C(=O)NNC(=S)Nc2ccc(C)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045973 983338000 /nfs/dbraw/zinc/33/80/00/983338000.db2.gz ZDEYBKWFRDLHEM-UHFFFAOYSA-N -1 0 388.493 3.222 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1C ZINC001596108084 983432841 /nfs/dbraw/zinc/43/28/41/983432841.db2.gz PAHMRGOUSVPIPL-DWCFMXGVSA-N -1 0 397.397 3.288 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)c2nocc2C(=O)[O-])c1C ZINC001596107985 983433002 /nfs/dbraw/zinc/43/30/02/983433002.db2.gz OENFKZOOMUYGQE-DHDCSXOGSA-N -1 0 384.436 3.160 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1C ZINC001596108094 983433005 /nfs/dbraw/zinc/43/30/05/983433005.db2.gz PGLRGXAYHCZYSG-OQLLNIDSSA-N -1 0 384.436 3.160 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC001596108220 983433168 /nfs/dbraw/zinc/43/31/68/983433168.db2.gz SSTWIZGRSZQERO-IYVNWDGISA-N -1 0 386.477 3.454 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1C ZINC001596108140 983433226 /nfs/dbraw/zinc/43/32/26/983433226.db2.gz PYEJSCRVYWZLAW-OQLLNIDSSA-N -1 0 385.386 3.288 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC001596108216 983433242 /nfs/dbraw/zinc/43/32/42/983433242.db2.gz SSTWIZGRSZQERO-AAWHYMEISA-N -1 0 386.477 3.454 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(CC(=O)[O-])cc2)c1C ZINC001596108634 983434942 /nfs/dbraw/zinc/43/49/42/983434942.db2.gz IKTCSCGEVOSIBB-NDENLUEZSA-N -1 0 379.460 3.365 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2cccc(F)c2C(=O)[O-])c1C ZINC001596108622 983434977 /nfs/dbraw/zinc/43/49/77/983434977.db2.gz GXRZGRIFTOESII-XNTDXEJSSA-N -1 0 384.411 3.403 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)c1C ZINC001596108834 983436243 /nfs/dbraw/zinc/43/62/43/983436243.db2.gz RICIJCAAMTYHIY-OLROSQPISA-N -1 0 395.459 3.373 20 50 GGGDRM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596157437 983518486 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CCOCc1nc(C)cc(NNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)n1 ZINC001596952680 986125515 /nfs/dbraw/zinc/12/55/15/986125515.db2.gz WDZYEUWKSGFGKU-UHFFFAOYSA-N -1 0 395.419 3.322 20 50 GGGDRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC001599981994 986175765 /nfs/dbraw/zinc/17/57/65/986175765.db2.gz HAGIBZQRGAJETD-UHFFFAOYSA-N -1 0 396.350 3.474 20 50 GGGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC001597019997 986398098 /nfs/dbraw/zinc/39/80/98/986398098.db2.gz DUJLGKBQJIUJHG-UHFFFAOYSA-N -1 0 393.399 3.403 20 50 GGGDRM CCOc1cc(Cl)ccc1CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597038046 986481905 /nfs/dbraw/zinc/48/19/05/986481905.db2.gz AFJVOIKAFBCHRL-UHFFFAOYSA-N -1 0 377.828 3.192 20 50 GGGDRM CCOc1ccc(-c2nc(C(=O)NNc3ccc(C(=O)[O-])cn3)cs2)cc1 ZINC001597049110 986516765 /nfs/dbraw/zinc/51/67/65/986516765.db2.gz AJEIJMDUKDJLRX-UHFFFAOYSA-N -1 0 384.417 3.059 20 50 GGGDRM CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3(C(=O)[O-])CC3)c2C)cc1 ZINC001597049602 986522417 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UMVCQGWINXNCEA-PWDRBQJJSA-N -1 0 394.427 3.333 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001597082008 986629883 /nfs/dbraw/zinc/62/98/83/986629883.db2.gz UKUAJMQNPUQXDF-DMVFFGLYSA-N -1 0 376.368 3.233 20 50 GGGDRM CCOc1ccc(C[C@@H](C)CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597085515 986654058 /nfs/dbraw/zinc/65/40/58/986654058.db2.gz YPCZHGKFASYSNG-CYBMUJFWSA-N -1 0 389.427 3.428 20 50 GGGDRM CCOc1ccc(CCNC(=O)NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC001597094483 986679176 /nfs/dbraw/zinc/67/91/76/986679176.db2.gz CKWRTCSYZAFVAS-UHFFFAOYSA-N -1 0 387.436 3.051 20 50 GGGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cn1)c1cccc(C(=O)c2ccccc2)c1 ZINC001589424365 986691466 /nfs/dbraw/zinc/69/14/66/986691466.db2.gz UIPNKNIGDWVBNZ-CQSZACIVSA-N -1 0 389.411 3.258 20 50 GGGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2cccc(Br)n2)cc1 ZINC001589511949 987144265 /nfs/dbraw/zinc/14/42/65/987144265.db2.gz LGTCTIOKQNPKEG-SECBINFHSA-N -1 0 379.214 3.181 20 50 GGGDRM C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001589552507 987287169 /nfs/dbraw/zinc/28/71/69/987287169.db2.gz GHEFOSOYOCGDBW-QMMMGPOBSA-N -1 0 378.268 3.049 20 50 GGGDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001597272610 987322318 /nfs/dbraw/zinc/32/23/18/987322318.db2.gz FZSMZVGHZDSOLX-UHFFFAOYSA-N -1 0 379.369 3.301 20 50 GGGDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001597273364 987327903 /nfs/dbraw/zinc/32/79/03/987327903.db2.gz SDBSRLRQCCHNEE-UHFFFAOYSA-N -1 0 379.369 3.301 20 50 GGGDRM CC(C)(C(=O)NNc1cc(C(=O)[O-])ccc1Br)C1CCC(O)CC1 ZINC001589575124 987352629 /nfs/dbraw/zinc/35/26/29/987352629.db2.gz ZLFTVTLMRKWODS-UHFFFAOYSA-N -1 0 399.285 3.168 20 50 GGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC001589637834 987557976 /nfs/dbraw/zinc/55/79/76/987557976.db2.gz OKDYVRMOMLYXTI-UHFFFAOYSA-N -1 0 399.491 3.418 20 50 GGGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccnc(Br)c2)cc1 ZINC001589638094 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GGGDRM CS(C)(=O)=Nc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599779439 992346060 /nfs/dbraw/zinc/34/60/60/992346060.db2.gz JFJSFBOHARGEOT-UHFFFAOYSA-N -1 0 380.401 3.032 20 50 GGGDRM CS(C)(=O)=Nc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599780769 992361910 /nfs/dbraw/zinc/36/19/10/992361910.db2.gz KYNLHJNWQHIEOL-UHFFFAOYSA-N -1 0 380.401 3.032 20 50 GGGDRM CC(C)COc1ccc(CCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001591401635 992475162 /nfs/dbraw/zinc/47/51/62/992475162.db2.gz QJXUXZPXAVUZRV-UHFFFAOYSA-N -1 0 389.427 3.428 20 50 GGGDRM CC(C)COc1cccc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591401917 992479222 /nfs/dbraw/zinc/47/92/22/992479222.db2.gz HCBKONCWIXXEGE-UHFFFAOYSA-N -1 0 375.400 3.385 20 50 GGGDRM CC(C)COc1ccccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591410209 992487110 /nfs/dbraw/zinc/48/71/10/992487110.db2.gz VJLZGKIYEBBCSU-UHFFFAOYSA-N -1 0 375.400 3.385 20 50 GGGDRM COc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1Br ZINC001599594339 993729710 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GGGDRM COc1ccc2cc(CNC(=O)NNc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC001599634264 994264323 /nfs/dbraw/zinc/26/43/23/994264323.db2.gz FWFWNKSEKYHTKY-UHFFFAOYSA-N -1 0 379.416 3.302 20 50 GGGDRM COc1ccc2[nH]c(=NNC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)c(C)cc2c1 ZINC001599635163 994276272 /nfs/dbraw/zinc/27/62/72/994276272.db2.gz QHCXSLBYHNAINN-HTAPYJJXSA-N -1 0 391.427 3.253 20 50 GGGDRM COc1ccc2[nH]c(=NNC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)c(C)cc2c1 ZINC001599635174 994277381 /nfs/dbraw/zinc/27/73/81/994277381.db2.gz QHCXSLBYHNAINN-VGSWGCGISA-N -1 0 391.427 3.253 20 50 GGGDRM COc1cccc(C(C)(C)CNC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001599649502 994475076 /nfs/dbraw/zinc/47/50/76/994475076.db2.gz LWLUWFNROKOLLX-UHFFFAOYSA-N -1 0 375.400 3.136 20 50 GGGDRM C[C@H](NNC(=O)c1ccccc1SCc1occc1C(=O)[O-])C(F)(F)F ZINC001593318223 994829682 /nfs/dbraw/zinc/82/96/82/994829682.db2.gz COAJWNRUEDSLDM-VIFPVBQESA-N -1 0 388.367 3.455 20 50 GGGDRM COc1cccc(CO[C@@H](C)C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599675344 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ZINC000818628673 955419101 /nfs/dbraw/zinc/41/91/01/955419101.db2.gz XQRZJGJPLKNAJP-UHFFFAOYSA-N -1 0 376.226 3.105 20 50 GGGDRM CC(C)C[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)CC(=O)[O-] ZINC001603042031 972103853 /nfs/dbraw/zinc/10/38/53/972103853.db2.gz CRFVSTYCECDNKD-YEWWUXTCSA-N -1 0 382.298 3.345 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000840992456 955575863 /nfs/dbraw/zinc/57/58/63/955575863.db2.gz BHOXIBYUGMHFSO-UHFFFAOYSA-N -1 0 384.274 3.281 20 50 GGGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c2ccccc21 ZINC000846717208 955727121 /nfs/dbraw/zinc/72/71/21/955727121.db2.gz RDQKSUNQUMBYOF-KSMPBXBHSA-N -1 0 378.266 3.370 20 50 GGGDRM CC(C)Cn1ncc(C(=O)NNc2ncccc2C(=O)[O-])c1-c1ccccc1 ZINC001603056341 972124186 /nfs/dbraw/zinc/12/41/86/972124186.db2.gz OADKWXGWRHKTEB-UHFFFAOYSA-N -1 0 379.420 3.056 20 50 GGGDRM C[C@@H](NC(=O)NNc1ccccc1OC(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593289 955766137 /nfs/dbraw/zinc/76/61/37/955766137.db2.gz DFIJNQAEJXJZKH-OUAUKWLOSA-N -1 0 389.374 3.347 20 50 GGGDRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(CCCl)cc2)c2ccccc21 ZINC000849312198 955783526 /nfs/dbraw/zinc/78/35/26/955783526.db2.gz WZABTMVCOPQACC-MRXNPFEDSA-N -1 0 379.865 3.235 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1C ZINC001593956090 956425511 /nfs/dbraw/zinc/42/55/11/956425511.db2.gz JGXZLPRUONVRQW-GAFVEGQGSA-N -1 0 387.480 3.075 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1C ZINC001593956088 956425537 /nfs/dbraw/zinc/42/55/37/956425537.db2.gz JGXZLPRUONVRQW-CCYNLUHQSA-N -1 0 387.480 3.075 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001593956356 956430260 /nfs/dbraw/zinc/43/02/60/956430260.db2.gz TWZZZUPQWFWEEF-RYZIHGGWSA-N -1 0 395.459 3.161 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCc1cc(Cl)ccc1Br ZINC001594687881 956721109 /nfs/dbraw/zinc/72/11/09/956721109.db2.gz NXTUAZDTBQVCSE-UHFFFAOYSA-N -1 0 398.644 3.272 20 50 GGGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC001589219865 956761965 /nfs/dbraw/zinc/76/19/65/956761965.db2.gz SFZGSTSSFMBVSX-ZDUSSCGKSA-N -1 0 395.175 3.412 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001594707953 956856013 /nfs/dbraw/zinc/85/60/13/956856013.db2.gz XFMXRPIVKNNLPI-UHFFFAOYSA-N -1 0 377.400 3.045 20 50 GGGDRM O=C([O-])c1ccc(NC(=O)NNC(=O)Cc2cccc3ccccc32)c(F)c1 ZINC001594708651 956862251 /nfs/dbraw/zinc/86/22/51/956862251.db2.gz HSARZYBBRPTQAV-UHFFFAOYSA-N -1 0 381.363 3.073 20 50 GGGDRM C[C@]1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]1Br ZINC001589246299 956924101 /nfs/dbraw/zinc/92/41/01/956924101.db2.gz CXRHXNRULHPEGB-AMIZOPFISA-N -1 0 379.613 3.472 20 50 GGGDRM Cc1cc(Br)ccc1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594273578 957691829 /nfs/dbraw/zinc/69/18/29/957691829.db2.gz ZZGYTJDMYABAMS-UHFFFAOYSA-N -1 0 378.226 3.282 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)Nc2cccc(CCC(=O)[O-])c2)c2ccccc2n1 ZINC001594281180 957745667 /nfs/dbraw/zinc/74/56/67/957745667.db2.gz WSWRBZJQVDFBEM-UHFFFAOYSA-N -1 0 392.415 3.027 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c(C)n1C[C@@H]1CCCO1 ZINC001594301248 957913831 /nfs/dbraw/zinc/91/38/31/957913831.db2.gz QUTBLDDJDSUOPA-JKWYUNLVSA-N -1 0 399.491 3.045 20 50 GGGDRM Cc1cc(NC(=O)NNc2ncccc2C(=O)[O-])ccc1OCC(F)(F)F ZINC001594322739 958132641 /nfs/dbraw/zinc/13/26/41/958132641.db2.gz ABJQKNNZBHXVLC-UHFFFAOYSA-N -1 0 384.314 3.178 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)CCCC(=O)[O-])c2C)cc1 ZINC001594073595 958197869 /nfs/dbraw/zinc/19/78/69/958197869.db2.gz FZVXBHDMGDQYNA-QGOAFFKASA-N -1 0 395.459 3.333 20 50 GGGDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001588466274 958508248 /nfs/dbraw/zinc/50/82/48/958508248.db2.gz GWZMCSGSWQQFKG-UHFFFAOYSA-N -1 0 381.310 3.120 20 50 GGGDRM COc1cccc(Nc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])nc2)c1 ZINC001594131603 958679296 /nfs/dbraw/zinc/67/92/96/958679296.db2.gz FVUFQNVFSCTHEZ-UHFFFAOYSA-N -1 0 394.391 3.076 20 50 GGGDRM COc1ccccc1C=C(C(=O)NNc1ncccc1C(=O)[O-])c1ccccc1 ZINC001594144084 958745942 /nfs/dbraw/zinc/74/59/42/958745942.db2.gz KOGMRYDYXIENMV-JXAWBTAJSA-N -1 0 389.411 3.472 20 50 GGGDRM COc1ccccc1Nc1ccccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594145965 958760399 /nfs/dbraw/zinc/76/03/99/958760399.db2.gz HJGXAGKNWAGDPO-UHFFFAOYSA-N -1 0 378.388 3.289 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1c(F)cc(F)cc1Br)C(=O)[O-] ZINC001573510998 959094935 /nfs/dbraw/zinc/09/49/35/959094935.db2.gz OEKPQRCDJVFUEV-MRVPVSSYSA-N -1 0 394.216 3.100 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1cc(F)ccc1Br)CC(=O)[O-] ZINC001573536926 959177073 /nfs/dbraw/zinc/17/70/73/959177073.db2.gz WXNXLXDUSRGOPK-JTQLQIEISA-N -1 0 390.253 3.351 20 50 GGGDRM CC(C)c1c(NC(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccccc1 ZINC001573559187 959269591 /nfs/dbraw/zinc/26/95/91/959269591.db2.gz GQNMGIFMYYTUJH-UHFFFAOYSA-N -1 0 380.408 3.238 20 50 GGGDRM Cc1nc(SC2CCCC2)sc1CC(=O)NNc1ncccc1C(=O)[O-] ZINC001594460772 959458447 /nfs/dbraw/zinc/45/84/47/959458447.db2.gz OLDHNIBTQPNWAS-UHFFFAOYSA-N -1 0 392.506 3.265 20 50 GGGDRM CC(C)(C(=O)NNc1ncccc1C(=O)[O-])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001588610159 959503516 /nfs/dbraw/zinc/50/35/16/959503516.db2.gz SUOAKRHWBUIGCE-CYBMUJFWSA-N -1 0 398.246 3.290 20 50 GGGDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNc1cc(Cl)ccc1Cl)O2 ZINC001605770040 972475263 /nfs/dbraw/zinc/47/52/63/972475263.db2.gz WANDKWAYESPUFO-UTJYPRCQSA-N -1 0 388.251 3.032 20 50 GGGDRM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC001588653202 960401623 /nfs/dbraw/zinc/40/16/23/960401623.db2.gz SHUDSHGGYKFWKH-OAHLLOKOSA-N -1 0 375.918 3.416 20 50 GGGDRM CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ncccc3C(=O)[O-])cc2)no1 ZINC001588657924 960419014 /nfs/dbraw/zinc/41/90/14/960419014.db2.gz APILRKPEMZTFBW-UHFFFAOYSA-N -1 0 395.419 3.175 20 50 GGGDRM Cc1cc(Br)ccc1NNC(=O)NCc1ccccc1C(=O)[O-] ZINC001574307603 960749376 /nfs/dbraw/zinc/74/93/76/960749376.db2.gz DHELKGLOCPPKHM-UHFFFAOYSA-N -1 0 378.226 3.282 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)n1-c1ccccc1 ZINC001574318068 960801759 /nfs/dbraw/zinc/80/17/59/960801759.db2.gz JTJXFPNUBPWJIN-UHFFFAOYSA-N -1 0 391.427 3.176 20 50 GGGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)c1 ZINC001574318121 960802819 /nfs/dbraw/zinc/80/28/19/960802819.db2.gz MHOHDHKAGFARCZ-UHFFFAOYSA-N -1 0 387.461 3.112 20 50 GGGDRM Cc1cc(C(C)(C)C(=O)NNc2ncccc2C(=O)[O-])ccc1Br ZINC001574319144 960812193 /nfs/dbraw/zinc/81/21/93/960812193.db2.gz HAIONQZGXJPWOA-UHFFFAOYSA-N -1 0 392.253 3.272 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001574326769 960862163 /nfs/dbraw/zinc/86/21/63/960862163.db2.gz VMYKWUKCENQBSO-XLCPLWEUSA-N -1 0 383.423 3.366 20 50 GGGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)C1 ZINC001573819190 960936480 /nfs/dbraw/zinc/93/64/80/960936480.db2.gz LMJRYHYAMGOVST-FHLIZLRMSA-N -1 0 380.282 3.195 20 50 GGGDRM CCCc1c(NC(=O)NNc2ncccc2C(=O)[O-])cnn1-c1ccccc1 ZINC001573865283 961191616 /nfs/dbraw/zinc/19/16/16/961191616.db2.gz VZJBDXAQJQCSCF-UHFFFAOYSA-N -1 0 380.408 3.067 20 50 GGGDRM Cc1cc(C=C(C#N)C(=O)Nc2cc(C(=O)[O-])n[nH]2)c(C)n1-c1ccccc1C ZINC001574401493 961233724 /nfs/dbraw/zinc/23/37/24/961233724.db2.gz KMHNJIWRYGXCFI-CXUHLZMHSA-N -1 0 389.415 3.370 20 50 GGGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001588808628 961502780 /nfs/dbraw/zinc/50/27/80/961502780.db2.gz VMYAVPBFICCZEJ-WFASDCNBSA-N -1 0 380.510 3.017 20 50 GGGDRM CCSc1nc(C)c([C@@H](CC)C(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001573931905 961581857 /nfs/dbraw/zinc/58/18/57/961581857.db2.gz HSHURTLNGWGGQX-SNVBAGLBSA-N -1 0 380.495 3.294 20 50 GGGDRM O=C([O-])C1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCSCC1 ZINC001574578244 962085965 /nfs/dbraw/zinc/08/59/65/962085965.db2.gz AZHGXPWXYAJYRG-UHFFFAOYSA-N -1 0 399.472 3.104 20 50 GGGDRM O=C([O-])c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(F)c1 ZINC001574578606 962090322 /nfs/dbraw/zinc/09/03/22/962090322.db2.gz JTHCZUHBJNFNGF-UHFFFAOYSA-N -1 0 391.424 3.321 20 50 GGGDRM CC(C)C[C@H](CNC(=O)NNc1cc(Cl)nc2ncccc12)CC(=O)[O-] ZINC001588894135 962219049 /nfs/dbraw/zinc/21/90/49/962219049.db2.gz FBPZPIVWDWEYLY-NSHDSACASA-N -1 0 379.848 3.046 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC001574119159 962480979 /nfs/dbraw/zinc/48/09/79/962480979.db2.gz PIXCVAREFIGREE-RKQRPNFGSA-N -1 0 395.459 3.234 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC001574119158 962481074 /nfs/dbraw/zinc/48/10/74/962481074.db2.gz PIXCVAREFIGREE-IXJMWADBSA-N -1 0 395.459 3.234 20 50 GGGDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CO1 ZINC001574686119 962611814 /nfs/dbraw/zinc/61/18/14/962611814.db2.gz JIIASKDPFIRTNU-SCZZXKLOSA-N -1 0 380.750 3.072 20 50 GGGDRM C#CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001573303088 962669789 /nfs/dbraw/zinc/66/97/89/962669789.db2.gz UUZNGWIGNWXPLW-JVCXIRSZSA-N -1 0 395.846 3.247 20 50 GGGDRM CC(C)c1nccnc1NNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588976113 962699676 /nfs/dbraw/zinc/69/96/76/962699676.db2.gz PIRXLCKEOBFCEN-UHFFFAOYSA-N -1 0 394.229 3.209 20 50 GGGDRM C[C@@](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)(C(=O)[O-])c1ccccc1 ZINC000799251355 969178692 /nfs/dbraw/zinc/17/86/92/969178692.db2.gz RSHUPEGEDKZDHX-CSBKYJRVSA-N -1 0 380.282 3.099 20 50 GGGDRM O=C([O-])[C@H]1CC(C(=O)NNc2ccc(Cl)cc2Cl)=NN1c1ccccc1 ZINC001605815863 972545779 /nfs/dbraw/zinc/54/57/79/972545779.db2.gz VWROUIOOMNXXAC-OAHLLOKOSA-N -1 0 393.230 3.156 20 50 GGGDRM O=C([O-])c1ccc(Br)c(NC(=O)NNc2ccnc(Cl)c2)c1 ZINC001605821101 972551643 /nfs/dbraw/zinc/55/16/43/972551643.db2.gz SPZUZICTSFRIET-UHFFFAOYSA-N -1 0 385.605 3.344 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC001605821150 972551744 /nfs/dbraw/zinc/55/17/44/972551744.db2.gz UENSDDKFSYOZKG-UHFFFAOYSA-N -1 0 391.359 3.015 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001605821172 972551803 /nfs/dbraw/zinc/55/18/03/972551803.db2.gz VHUDBYSLBJEUOG-UHFFFAOYSA-N -1 0 392.202 3.029 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1-c1ccc(F)cc1 ZINC001605163676 972854155 /nfs/dbraw/zinc/85/41/55/972854155.db2.gz ALPRWNPLBSZQIP-PDGQHHTCSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001605256004 973022978 /nfs/dbraw/zinc/02/29/78/973022978.db2.gz JCQRTUBLMXWYGB-UHFFFAOYSA-N -1 0 399.447 3.357 20 50 GGGDRM Cc1ccc2[nH]c(C(=O)NNc3ncccc3C(=O)[O-])cc2c1Br ZINC001605309879 973130027 /nfs/dbraw/zinc/13/00/27/973130027.db2.gz PTVHKWZUXSPJNL-UHFFFAOYSA-N -1 0 389.209 3.089 20 50 GGGDRM O=C([O-])CCC1CCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)CC1 ZINC001606125994 973368530 /nfs/dbraw/zinc/36/85/30/973368530.db2.gz NIMLYRLWPRWGAC-QAPCUYQASA-N -1 0 380.282 3.195 20 50 GGGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001603489314 973424640 /nfs/dbraw/zinc/42/46/40/973424640.db2.gz YWICVBKWTVHQGP-KZFLWGQDSA-N -1 0 395.459 3.331 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC001604514769 973448656 /nfs/dbraw/zinc/44/86/56/973448656.db2.gz LRVTYUVRRIGMBK-TUTDSIAXSA-N -1 0 397.431 3.262 20 50 GGGDRM O=C([O-])CCc1cccc(NC(=O)NNC(=O)Cc2cccc3ccccc32)c1 ZINC001606215832 973465931 /nfs/dbraw/zinc/46/59/31/973465931.db2.gz UFKKDGJJYUBWLG-UHFFFAOYSA-N -1 0 391.427 3.252 20 50 GGGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001603526112 973567581 /nfs/dbraw/zinc/56/75/81/973567581.db2.gz YOHHOPFMYFQDEO-UHFFFAOYSA-N -1 0 396.369 3.497 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1c(F)cc(F)cc1Br)C(=O)[O-] ZINC001603536890 973592455 /nfs/dbraw/zinc/59/24/55/973592455.db2.gz UEYMAGFWXIWNHA-UHFFFAOYSA-N -1 0 394.216 3.244 20 50 GGGDRM O=C([O-])COc1cccc(C(=O)NNc2ccccc2Cc2ccccc2)c1 ZINC001606291515 973694802 /nfs/dbraw/zinc/69/48/02/973694802.db2.gz NJHZHEYKLOIZDG-UHFFFAOYSA-N -1 0 376.412 3.498 20 50 GGGDRM CC[C@@H](Cc1ccccc1Br)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603574742 973714015 /nfs/dbraw/zinc/71/40/15/973714015.db2.gz CJXOMZXGQZILPU-NSHDSACASA-N -1 0 392.253 3.254 20 50 GGGDRM N#Cc1ccc(NNC(=O)Nc2ccccc2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001605613227 973932266 /nfs/dbraw/zinc/93/22/66/973932266.db2.gz XTKPUACQXHMWHU-UHFFFAOYSA-N -1 0 378.310 3.353 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)c1oc2ccccc2c1Br ZINC001606529046 974043425 /nfs/dbraw/zinc/04/34/25/974043425.db2.gz WVBTUXFDJWWETM-UHFFFAOYSA-N -1 0 376.166 3.045 20 50 GGGDRM COc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1OC1CCCC1 ZINC001604820963 974057864 /nfs/dbraw/zinc/05/78/64/974057864.db2.gz ZYYKGABLNYWIEM-UHFFFAOYSA-N -1 0 386.408 3.258 20 50 GGGDRM COc1ccc2c(c1)c(C(=O)NNc1ncccc1C(=O)[O-])c(C)n2C1CC1 ZINC001604843543 974085246 /nfs/dbraw/zinc/08/52/46/974085246.db2.gz HCYXTVGSKUONGM-UHFFFAOYSA-N -1 0 380.404 3.143 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001605689315 974104169 /nfs/dbraw/zinc/10/41/69/974104169.db2.gz FMSDERRDWVDVEQ-UHFFFAOYSA-N -1 0 386.795 3.164 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603967551 974443821 /nfs/dbraw/zinc/44/38/21/974443821.db2.gz GJVPVKAXBXRLML-VMPITWQZSA-N -1 0 379.210 3.459 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603967552 974443933 /nfs/dbraw/zinc/44/39/33/974443933.db2.gz GJVPVKAXBXRLML-YVMONPNESA-N -1 0 379.210 3.459 20 50 GGGDRM CC(C)OCCOCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001591726160 975681005 /nfs/dbraw/zinc/68/10/05/975681005.db2.gz HEFPUNIMPFJXQZ-UHFFFAOYSA-N -1 0 387.436 3.475 20 50 GGGDRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591889745 976254918 /nfs/dbraw/zinc/25/49/18/976254918.db2.gz FDGHGFWDYUYLLL-ZDUSSCGKSA-N -1 0 385.848 3.031 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001591923393 976400486 /nfs/dbraw/zinc/40/04/86/976400486.db2.gz NYYGTOIDWUYQCI-UHFFFAOYSA-N -1 0 387.827 3.050 20 50 GGGDRM CC(C)c1ccc(N2CC[C@@H](C(=O)NNc3cccc(C(=O)[O-])c3F)C2=O)cc1 ZINC001591959753 976538455 /nfs/dbraw/zinc/53/84/55/976538455.db2.gz LZTQUHCBQVOLIF-INIZCTEOSA-N -1 0 399.422 3.144 20 50 GGGDRM CC(C)c1ccc(N2CC[C@H](C(=O)NNc3cccc(C(=O)[O-])c3F)C2=O)cc1 ZINC001591959754 976538957 /nfs/dbraw/zinc/53/89/57/976538957.db2.gz LZTQUHCBQVOLIF-MRXNPFEDSA-N -1 0 399.422 3.144 20 50 GGGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001591998050 976645271 /nfs/dbraw/zinc/64/52/71/976645271.db2.gz LYBYOYRNPDJYOJ-HRAATJIYSA-N -1 0 397.500 3.386 20 50 GGGDRM CC(C)c1nccnc1NNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001592039036 976761472 /nfs/dbraw/zinc/76/14/72/976761472.db2.gz GSXSSOBNFOTOJZ-UHFFFAOYSA-N -1 0 394.229 3.209 20 50 GGGDRM CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592148498 977010520 /nfs/dbraw/zinc/01/05/20/977010520.db2.gz NICSKJRETBRZKV-UHFFFAOYSA-N -1 0 394.435 3.302 20 50 GGGDRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592157937 977037197 /nfs/dbraw/zinc/03/71/97/977037197.db2.gz NCTWMBKNRCPOBA-UHFFFAOYSA-N -1 0 379.420 3.345 20 50 GGGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001592391207 977935355 /nfs/dbraw/zinc/93/53/55/977935355.db2.gz DUHNKXPEPWMACH-SNVBAGLBSA-N -1 0 382.342 3.106 20 50 GGGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001592391327 977936287 /nfs/dbraw/zinc/93/62/87/977936287.db2.gz HRBBFQUNKOOHSZ-ZETCQYMHSA-N -1 0 383.164 3.412 20 50 GGGDRM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592484941 978260277 /nfs/dbraw/zinc/26/02/77/978260277.db2.gz ILKSHFSEXXSTHI-ZDUSSCGKSA-N -1 0 394.472 3.094 20 50 GGGDRM C[C@H](CCCc1ccccc1)C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001592492278 978286804 /nfs/dbraw/zinc/28/68/04/978286804.db2.gz SARKWOJESSPABM-CQSZACIVSA-N -1 0 375.494 3.239 20 50 GGGDRM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)nc21 ZINC000735616951 978301796 /nfs/dbraw/zinc/30/17/96/978301796.db2.gz OIZDPQNDMYASLK-QPEQYQDCSA-N -1 0 378.344 3.307 20 50 GGGDRM C=CCc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc(OC)c1OC ZINC000736114007 978302596 /nfs/dbraw/zinc/30/25/96/978302596.db2.gz FOUUQDLEWIGWMD-UHFFFAOYSA-N -1 0 387.344 3.258 20 50 GGGDRM CC(C)(C)c1ccc(OCC(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736298780 978318651 /nfs/dbraw/zinc/31/86/51/978318651.db2.gz BPTSRFCXPOMUAM-GOSISDBHSA-N -1 0 390.867 3.463 20 50 GGGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000736373468 978323585 /nfs/dbraw/zinc/32/35/85/978323585.db2.gz DEYAMFXFTOQQKZ-VIFPVBQESA-N -1 0 399.072 3.491 20 50 GGGDRM CC(C)Oc1ccc(NC(=S)NNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000736493732 978339224 /nfs/dbraw/zinc/33/92/24/978339224.db2.gz CCIIMIQUNRZGJY-UHFFFAOYSA-N -1 0 388.449 3.195 20 50 GGGDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736712940 978351861 /nfs/dbraw/zinc/35/18/61/978351861.db2.gz SDHHEYGJGUQLKA-SECBINFHSA-N -1 0 392.345 3.287 20 50 GGGDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736762404 978354146 /nfs/dbraw/zinc/35/41/46/978354146.db2.gz ARFWRYAKIHMUQY-QMTHXVAHSA-N -1 0 384.344 3.107 20 50 GGGDRM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736762403 978354256 /nfs/dbraw/zinc/35/42/56/978354256.db2.gz ARFWRYAKIHMUQY-IINYFYTJSA-N -1 0 384.344 3.107 20 50 GGGDRM CC[C@@H](C(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000736845720 978360189 /nfs/dbraw/zinc/36/01/89/978360189.db2.gz CQQFYHXNRUCOPO-UKRRQHHQSA-N -1 0 386.473 3.207 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000736845721 978360262 /nfs/dbraw/zinc/36/02/62/978360262.db2.gz CQQFYHXNRUCOPO-ZFWWWQNUSA-N -1 0 386.473 3.207 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1C ZINC000737002912 978372242 /nfs/dbraw/zinc/37/22/42/978372242.db2.gz CZNSZMMWINWSAT-LTXFRBGYSA-N -1 0 389.521 3.231 20 50 GGGDRM CCCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737031784 978373343 /nfs/dbraw/zinc/37/33/43/978373343.db2.gz QPSBQPXSPOTLPQ-QGZVFWFLSA-N -1 0 392.839 3.198 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000737050101 978376642 /nfs/dbraw/zinc/37/66/42/978376642.db2.gz ITRGLBJTXAINDR-NURJGKTBSA-N -1 0 379.460 3.407 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1C ZINC000737051813 978376947 /nfs/dbraw/zinc/37/69/47/978376947.db2.gz YRFNXWWNTONMPQ-WOJGMQOQSA-N -1 0 380.448 3.243 20 50 GGGDRM CCOc1cc(C=NNC(=O)C2CCC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000737190834 978385784 /nfs/dbraw/zinc/38/57/84/978385784.db2.gz DLOAVLQGFIMWED-UHFFFAOYSA-N -1 0 386.404 3.206 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737195742 978387286 /nfs/dbraw/zinc/38/72/86/978387286.db2.gz XTDMHAFHWPMMMY-VGOFMYFVSA-N -1 0 381.344 3.237 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737195690 978387594 /nfs/dbraw/zinc/38/75/94/978387594.db2.gz WOOLESWYTOHPPU-VOMPUTFMSA-N -1 0 378.428 3.285 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Oc2cccc(CC(=O)[O-])c2)c1C ZINC000737747376 978441461 /nfs/dbraw/zinc/44/14/61/978441461.db2.gz LXZUEKZZHRBYRZ-MXDDHBLUSA-N -1 0 396.443 3.452 20 50 GGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000737825688 978447239 /nfs/dbraw/zinc/44/72/39/978447239.db2.gz CQMFEJGIIOKBMF-WOJGMQOQSA-N -1 0 396.447 3.065 20 50 GGGDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1c(C)nn(CCCl)c1C ZINC000737877856 978452069 /nfs/dbraw/zinc/45/20/69/978452069.db2.gz JCYGHWHVTJHOKG-ALCCZGGFSA-N -1 0 378.812 3.064 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c2C)cc1 ZINC000737918144 978458516 /nfs/dbraw/zinc/45/85/16/978458516.db2.gz UJQUBPXIKYAXAX-GZTJUZNOSA-N -1 0 395.459 3.379 20 50 GGGDRM COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000737987199 978464090 /nfs/dbraw/zinc/46/40/90/978464090.db2.gz UDLIMCHSDJGWNW-UHFFFAOYSA-N -1 0 379.752 3.493 20 50 GGGDRM Cc1nc(-c2ccccn2)nc(NNC(=O)c2ccc(NC(=O)[O-])cc2)c1C ZINC000738149576 978486904 /nfs/dbraw/zinc/48/69/04/978486904.db2.gz UKRJRYZNCNHWML-UHFFFAOYSA-N -1 0 378.392 3.002 20 50 GGGDRM Cc1cc(C(=O)NNC(=O)c2cccc(NC(=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000738332110 978517225 /nfs/dbraw/zinc/51/72/25/978517225.db2.gz FWNVGNKWBIIABC-UHFFFAOYSA-N -1 0 392.415 3.259 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc(C)c1OCC(=O)[O-] ZINC000738378277 978528022 /nfs/dbraw/zinc/52/80/22/978528022.db2.gz DBPLKAIAYPASFS-VGOFMYFVSA-N -1 0 396.365 3.227 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCSC[C@H]2CC(=O)[O-])c(C)n1CC(C)C ZINC000738378119 978528147 /nfs/dbraw/zinc/52/81/47/978528147.db2.gz ANMKTGSWBGWJGY-SMHZUEHJSA-N -1 0 389.521 3.087 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCSC[C@@H]2CC(=O)[O-])c(C)n1CC(C)C ZINC000738378116 978528210 /nfs/dbraw/zinc/52/82/10/978528210.db2.gz ANMKTGSWBGWJGY-QGEBHBTGSA-N -1 0 389.521 3.087 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC000738378773 978529821 /nfs/dbraw/zinc/52/98/21/978529821.db2.gz JCMKLULHAVAXRT-CJMVGXJBSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC000738378780 978529852 /nfs/dbraw/zinc/52/98/52/978529852.db2.gz JCMKLULHAVAXRT-YCPFAOKUSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1F ZINC000738379580 978530476 /nfs/dbraw/zinc/53/04/76/978530476.db2.gz NRKCVNKYQKHHIO-VZWMTCDZSA-N -1 0 383.423 3.319 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccccc1F ZINC000738380305 978531298 /nfs/dbraw/zinc/53/12/98/978531298.db2.gz WYRMWBKFZDHTBI-LFIBNONCSA-N -1 0 383.423 3.462 20 50 GGGDRM Cc1cc(NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)c(C(=O)[O-])[nH]1 ZINC000738417127 978535483 /nfs/dbraw/zinc/53/54/83/978535483.db2.gz HDJRHYJSXPKZNN-VHEJECIDSA-N -1 0 396.447 3.164 20 50 GGGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)CCc3ccccc3O)o2)cc1 ZINC000738459061 978541508 /nfs/dbraw/zinc/54/15/08/978541508.db2.gz VEKBZYKTXJBPPM-UHFFFAOYSA-N -1 0 378.384 3.433 20 50 GGGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)COCc3ccccc3)o2)cc1 ZINC000738470093 978543601 /nfs/dbraw/zinc/54/36/01/978543601.db2.gz GPYRWGFNWKNZHB-UHFFFAOYSA-N -1 0 378.384 3.312 20 50 GGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000738507173 978548992 /nfs/dbraw/zinc/54/89/92/978548992.db2.gz WMAQDRLWHZIKIL-ZDUSSCGKSA-N -1 0 383.629 3.163 20 50 GGGDRM Cc1ccc(C)n1-c1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738579253 978566057 /nfs/dbraw/zinc/56/60/57/978566057.db2.gz QNKALKINGBLXAY-FQEVSTJZSA-N -1 0 388.427 3.026 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCSCC(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000738680993 978586714 /nfs/dbraw/zinc/58/67/14/978586714.db2.gz MQQSGSFIJYBUBT-WQRHYEAKSA-N -1 0 397.500 3.244 20 50 GGGDRM Cc1cccc(O[C@H](C)C(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000738734159 978598093 /nfs/dbraw/zinc/59/80/93/978598093.db2.gz JKUYQQWHMWVQMD-CXAGYDPISA-N -1 0 376.840 3.171 20 50 GGGDRM Cc1ncsc1C(=O)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738893119 978607674 /nfs/dbraw/zinc/60/76/74/978607674.db2.gz YCMVEXIRNZUTCH-UHFFFAOYSA-N -1 0 395.440 3.493 20 50 GGGDRM Cc1nn(CC(C)C)c(C)c1CCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738921944 978608682 /nfs/dbraw/zinc/60/86/82/978608682.db2.gz VVWOACMMGGIYPK-UHFFFAOYSA-N -1 0 389.408 3.301 20 50 GGGDRM O=C([O-])c1cc(OC(=O)CCCOc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000739235035 978622682 /nfs/dbraw/zinc/62/26/82/978622682.db2.gz GGUREGQVTTZMNC-UHFFFAOYSA-N -1 0 381.287 3.336 20 50 GGGDRM O=C([O-])c1ccc(CCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000739256030 978624584 /nfs/dbraw/zinc/62/45/84/978624584.db2.gz NVDZSZKVGBXEDM-UHFFFAOYSA-N -1 0 397.309 3.388 20 50 GGGDRM O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)COCc2ccccc2)o1 ZINC000739321662 978627982 /nfs/dbraw/zinc/62/79/82/978627982.db2.gz IVGCOEVAOQONRI-UHFFFAOYSA-N -1 0 378.384 3.312 20 50 GGGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000739342475 978630679 /nfs/dbraw/zinc/63/06/79/978630679.db2.gz WBVVUPBZXQIVIO-UHFFFAOYSA-N -1 0 398.140 3.343 20 50 GGGDRM O=C([O-])c1ccc(OCCNC(=O)NNc2ccc(Cl)cc2Cl)cc1 ZINC000739428073 978634737 /nfs/dbraw/zinc/63/47/37/978634737.db2.gz ZBQWCGZDHYAPCT-UHFFFAOYSA-N -1 0 384.219 3.397 20 50 GGGDRM O=C([O-])COc1cccc(CNC(=O)NNc2ccc(Cl)cc2Cl)c1 ZINC000739834061 978656191 /nfs/dbraw/zinc/65/61/91/978656191.db2.gz FORBAHKNKCTSSI-UHFFFAOYSA-N -1 0 384.219 3.283 20 50 GGGDRM O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1 ZINC000740001747 978662292 /nfs/dbraw/zinc/66/22/92/978662292.db2.gz OXOANXZNEIHNKV-UHFFFAOYSA-N -1 0 382.869 3.426 20 50 GGGDRM O=C([O-])NNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000740003816 978662644 /nfs/dbraw/zinc/66/26/44/978662644.db2.gz UNHWKFIPJYCXLN-UHFFFAOYSA-N -1 0 382.298 3.262 20 50 GGGDRM O=C([O-])Nc1ccc(CCNC(=O)NNc2ccc(OC(F)F)cc2)cc1 ZINC000740023968 978663276 /nfs/dbraw/zinc/66/32/76/978663276.db2.gz SEXCUHYGUMXPRS-UHFFFAOYSA-N -1 0 380.351 3.247 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2sc(N3CCCC3)nc2Cl)ccc1[N+](=O)[O-] ZINC000740086897 978666923 /nfs/dbraw/zinc/66/69/23/978666923.db2.gz CQEHHTMKPBIHCX-UHFFFAOYSA-N -1 0 397.796 3.222 20 50 GGGDRM O=C([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccc(CCCCl)cc1)C2 ZINC000740202240 978672170 /nfs/dbraw/zinc/67/21/70/978672170.db2.gz CVYPCHRWFUJRCT-UHFFFAOYSA-N -1 0 379.865 3.261 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000740306997 978674514 /nfs/dbraw/zinc/67/45/14/978674514.db2.gz GMTDIXINDXWDIR-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000740307354 978674813 /nfs/dbraw/zinc/67/48/13/978674813.db2.gz KTTCAVKFELUDPN-UHFFFAOYSA-N -1 0 384.113 3.414 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000740307112 978674817 /nfs/dbraw/zinc/67/48/17/978674817.db2.gz JRRKWZVSJVWSRE-OAHLLOKOSA-N -1 0 387.344 3.070 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(N3CCCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000740308513 978675326 /nfs/dbraw/zinc/67/53/26/978675326.db2.gz UYNQLQDYUXKTPM-UHFFFAOYSA-N -1 0 385.376 3.288 20 50 GGGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)Cc1cccc(F)c1 ZINC000776640327 978763812 /nfs/dbraw/zinc/76/38/12/978763812.db2.gz WXRJNIYCSXQCDU-SCGCMHLBSA-N -1 0 398.272 3.139 20 50 GGGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)Cc1cccc(F)c1 ZINC000776640328 978763939 /nfs/dbraw/zinc/76/39/39/978763939.db2.gz WXRJNIYCSXQCDU-YRWGSWDYSA-N -1 0 398.272 3.139 20 50 GGGDRM Cc1cccc(C[C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C(=O)[O-])c1 ZINC000776641485 978764406 /nfs/dbraw/zinc/76/44/06/978764406.db2.gz BKHLIXBJWPIQAG-IUVQAAGXSA-N -1 0 394.309 3.308 20 50 GGGDRM Cc1cccc(C[C@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C(=O)[O-])c1 ZINC000776641486 978764472 /nfs/dbraw/zinc/76/44/72/978764472.db2.gz BKHLIXBJWPIQAG-WFXMFSGNSA-N -1 0 394.309 3.308 20 50 GGGDRM Cc1cccc(C[C@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C(=O)[O-])c1 ZINC000776641484 978764562 /nfs/dbraw/zinc/76/45/62/978764562.db2.gz BKHLIXBJWPIQAG-CYJAXWMASA-N -1 0 394.309 3.308 20 50 GGGDRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000788455140 978796967 /nfs/dbraw/zinc/79/69/67/978796967.db2.gz DIIHAIQSCYZHHM-QGZVFWFLSA-N -1 0 381.881 3.005 20 50 GGGDRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000788455137 978797058 /nfs/dbraw/zinc/79/70/58/978797058.db2.gz DIIHAIQSCYZHHM-KRWDZBQOSA-N -1 0 381.881 3.005 20 50 GGGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794684448 978814770 /nfs/dbraw/zinc/81/47/70/978814770.db2.gz BMHHYGHJPFCHBH-YYTPVVGHSA-N -1 0 393.399 3.043 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000794690133 978816310 /nfs/dbraw/zinc/81/63/10/978816310.db2.gz GQIDHVCRNKXVQB-AZZDOICSSA-N -1 0 386.354 3.040 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794692210 978816702 /nfs/dbraw/zinc/81/67/02/978816702.db2.gz ULJPBVMKSXQHRE-IYVNWDGISA-N -1 0 386.354 3.040 20 50 GGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000794692211 978817076 /nfs/dbraw/zinc/81/70/76/978817076.db2.gz ULJPBVMKSXQHRE-PWDRSIHYSA-N -1 0 386.354 3.040 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccccc2Br)cc1)C(=O)[O-] ZINC000794856789 978822927 /nfs/dbraw/zinc/82/29/27/978822927.db2.gz QYYHJYGJTOCFSO-LLVKDONJSA-N -1 0 391.221 3.065 20 50 GGGDRM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000794881651 978825724 /nfs/dbraw/zinc/82/57/24/978825724.db2.gz XHRBKQLBUVGBBX-JKSUJKDBSA-N -1 0 384.432 3.073 20 50 GGGDRM Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000794881644 978825758 /nfs/dbraw/zinc/82/57/58/978825758.db2.gz XHRBKQLBUVGBBX-CVEARBPZSA-N -1 0 384.432 3.073 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000794894896 978826341 /nfs/dbraw/zinc/82/63/41/978826341.db2.gz LYVKMWPBAWFIQR-HNNXBMFYSA-N -1 0 376.412 3.385 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000794911966 978828346 /nfs/dbraw/zinc/82/83/46/978828346.db2.gz UTDSOZYLXGSPAN-LLVKDONJSA-N -1 0 391.221 3.065 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794935808 978830912 /nfs/dbraw/zinc/83/09/12/978830912.db2.gz KIHRNWGJEQEEBQ-CHWSQXEVSA-N -1 0 390.823 3.110 20 50 GGGDRM Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C ZINC000809146200 978854013 /nfs/dbraw/zinc/85/40/13/978854013.db2.gz MUCBYEDQEZCQFN-PXNMLYILSA-N -1 0 380.356 3.465 20 50 GGGDRM Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3c[nH]c(C(=O)[O-])c3)cc12 ZINC000814695569 978873415 /nfs/dbraw/zinc/87/34/15/978873415.db2.gz IDKLCNQLNHBHDC-UHFFFAOYSA-N -1 0 393.428 3.186 20 50 GGGDRM O=C([O-])c1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c[nH]1 ZINC000814705193 978874102 /nfs/dbraw/zinc/87/41/02/978874102.db2.gz XJYZZPNEMAOKSP-UHFFFAOYSA-N -1 0 399.410 3.330 20 50 GGGDRM CC(=NNC(=O)COc1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])cs1 ZINC000814718886 978876264 /nfs/dbraw/zinc/87/62/64/978876264.db2.gz ORTQJFKHFZEKAN-UHFFFAOYSA-N -1 0 386.351 3.384 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814751848 978880769 /nfs/dbraw/zinc/88/07/69/978880769.db2.gz UJAADYFJUHYSEY-WOPDTQHZSA-N -1 0 397.269 3.209 20 50 GGGDRM CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1cc(C(=O)[O-])cs1 ZINC000814783241 978885245 /nfs/dbraw/zinc/88/52/45/978885245.db2.gz YTYDPQZUBQBLFB-SNVBAGLBSA-N -1 0 388.474 3.397 20 50 GGGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC000814874408 978895125 /nfs/dbraw/zinc/89/51/25/978895125.db2.gz PLQKYGFLJQWUSV-OLZOCXBDSA-N -1 0 388.493 3.141 20 50 GGGDRM COc1cc(NC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c(OC)cc1Cl ZINC000814997136 978900576 /nfs/dbraw/zinc/90/05/76/978900576.db2.gz VATHQMDOSXPSFI-UWVGGRQHSA-N -1 0 383.832 3.356 20 50 GGGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000833149178 979095995 /nfs/dbraw/zinc/09/59/95/979095995.db2.gz HHEAZAWHXOYCNW-KBPBESRZSA-N -1 0 378.494 3.059 20 50 GGGDRM CC[C@@H](C)n1nc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1C ZINC001595021830 979099894 /nfs/dbraw/zinc/09/98/94/979099894.db2.gz DLJUARKGGSPFNL-SECBINFHSA-N -1 0 395.257 3.380 20 50 GGGDRM CC[C@H](C)n1nc(C)c(-c2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]n2)c1C ZINC001595023019 979112299 /nfs/dbraw/zinc/11/22/99/979112299.db2.gz QDDMAIZDEAHYDL-NSHDSACASA-N -1 0 396.451 3.316 20 50 GGGDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595028134 979149107 /nfs/dbraw/zinc/14/91/07/979149107.db2.gz FYHMMFIIQKJKOE-CYBMUJFWSA-N -1 0 381.436 3.095 20 50 GGGDRM CC[C@H](CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccc(OC)cc1 ZINC001595029422 979157411 /nfs/dbraw/zinc/15/74/11/979157411.db2.gz AXBROOLZJAYFLV-CYBMUJFWSA-N -1 0 391.493 3.172 20 50 GGGDRM CCC(CC)(CNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001595070331 979337823 /nfs/dbraw/zinc/33/78/23/979337823.db2.gz ITISRAMQUULGEN-UHFFFAOYSA-N -1 0 382.770 3.271 20 50 GGGDRM CC[C@H](CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC001595134730 979569458 /nfs/dbraw/zinc/56/94/58/979569458.db2.gz BVBZOZITBWNMEC-YCPFAOKUSA-N -1 0 395.459 3.237 20 50 GGGDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)[O-] ZINC001592838061 979584950 /nfs/dbraw/zinc/58/49/50/979584950.db2.gz IBRYYULESBZOQJ-ZRGSNEMSSA-N -1 0 384.819 3.155 20 50 GGGDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)[O-] ZINC001592838060 979585245 /nfs/dbraw/zinc/58/52/45/979585245.db2.gz IBRYYULESBZOQJ-XMUSRXTASA-N -1 0 384.819 3.155 20 50 GGGDRM CC[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)Oc1ccccc1F ZINC001595149602 979635999 /nfs/dbraw/zinc/63/59/99/979635999.db2.gz HVMVEKUBNAKGSC-LLVKDONJSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)Oc1ccccc1Cl ZINC001595150700 979643550 /nfs/dbraw/zinc/64/35/50/979643550.db2.gz XVNNLGCYKBNGMC-OAHLLOKOSA-N -1 0 391.855 3.451 20 50 GGGDRM CC[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)Oc1ccccc1F ZINC001595150797 979644542 /nfs/dbraw/zinc/64/45/42/979644542.db2.gz YYGXUWIBZYLTOE-LBPRGKRZSA-N -1 0 379.363 3.147 20 50 GGGDRM CC[C@@](COC)(NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC001595186984 979837960 /nfs/dbraw/zinc/83/79/60/979837960.db2.gz HTQQLURADUEZCW-DGKKPVBHSA-N -1 0 389.496 3.054 20 50 GGGDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001595211041 979987387 /nfs/dbraw/zinc/98/73/87/979987387.db2.gz BVTZSYKWZRCKHC-ZDUSSCGKSA-N -1 0 387.392 3.014 20 50 GGGDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595211210 979989825 /nfs/dbraw/zinc/98/98/25/979989825.db2.gz DRXXQACFCRFNSB-GFCCVEGCSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595211211 979989952 /nfs/dbraw/zinc/98/99/52/979989952.db2.gz DRXXQACFCRFNSB-LBPRGKRZSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595213756 980009722 /nfs/dbraw/zinc/00/97/22/980009722.db2.gz WYQLBMXTWXFAJZ-LBPRGKRZSA-N -1 0 375.356 3.144 20 50 GGGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC001595252847 980224440 /nfs/dbraw/zinc/22/44/40/980224440.db2.gz QNLIHEOUEDIXSL-HNNXBMFYSA-N -1 0 387.436 3.488 20 50 GGGDRM CC[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595253519 980232718 /nfs/dbraw/zinc/23/27/18/980232718.db2.gz ZUWNDGAQKOCVAR-HNNXBMFYSA-N -1 0 379.363 3.449 20 50 GGGDRM CC[C@]1(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001595366945 980816896 /nfs/dbraw/zinc/81/68/96/980816896.db2.gz RYXVZJHGGSCTQR-FQEVSTJZSA-N -1 0 391.468 3.174 20 50 GGGDRM CC[C@@]1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001595367151 980818820 /nfs/dbraw/zinc/81/88/20/980818820.db2.gz ZSLISKUHDXCWNT-LJQANCHMSA-N -1 0 395.431 3.004 20 50 GGGDRM CC[C@@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CCN1C(=O)OC(C)(C)C ZINC001595406005 980988955 /nfs/dbraw/zinc/98/89/55/980988955.db2.gz WJPRRQUFSQPKAI-BXUZGUMPSA-N -1 0 395.431 3.003 20 50 GGGDRM CC[C@H]1[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CCN1C(=O)OC(C)(C)C ZINC001595406006 980989178 /nfs/dbraw/zinc/98/91/78/980989178.db2.gz WJPRRQUFSQPKAI-FZMZJTMJSA-N -1 0 395.431 3.003 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908175202 981279080 /nfs/dbraw/zinc/27/90/80/981279080.db2.gz SCLALWXFKPSTRD-WWALYXLFSA-N -1 0 378.332 3.041 20 50 GGGDRM CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595547243 981418558 /nfs/dbraw/zinc/41/85/58/981418558.db2.gz OQDSNVKVUBFGIN-LJQANCHMSA-N -1 0 379.457 3.220 20 50 GGGDRM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595635589 981906596 /nfs/dbraw/zinc/90/65/96/981906596.db2.gz CAZXPUVTHMTVNR-AWEZNQCLSA-N -1 0 383.420 3.051 20 50 GGGDRM CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595635833 981909438 /nfs/dbraw/zinc/90/94/38/981909438.db2.gz NAYNNIWVCIMXHR-ZDUSSCGKSA-N -1 0 383.420 3.051 20 50 GGGDRM CCC(C)(C)NC(=O)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001594806184 981912530 /nfs/dbraw/zinc/91/25/30/981912530.db2.gz 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CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1C ZINC001595802925 982622475 /nfs/dbraw/zinc/62/24/75/982622475.db2.gz MVRHEVUEFRCWBQ-UJMHRVFCSA-N -1 0 385.386 3.334 20 50 GGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1C ZINC001595803999 982627100 /nfs/dbraw/zinc/62/71/00/982627100.db2.gz YNTNCOCSIHGXTI-MVDPLZLPSA-N -1 0 389.496 3.149 20 50 GGGDRM CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)n1 ZINC000915863872 982669453 /nfs/dbraw/zinc/66/94/53/982669453.db2.gz PJNUXSNQDYUYBB-JYRVWZFOSA-N -1 0 385.445 3.450 20 50 GGGDRM C[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000916344210 982673957 /nfs/dbraw/zinc/67/39/57/982673957.db2.gz FLZOIGMKZNFNBB-NSHDSACASA-N -1 0 391.221 3.065 20 50 GGGDRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594992122 982860759 /nfs/dbraw/zinc/86/07/59/982860759.db2.gz SFLHDFPVSZYXRF-LLVKDONJSA-N -1 0 388.399 3.201 20 50 GGGDRM CC[C@H](C)NC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001594992563 982865029 /nfs/dbraw/zinc/86/50/29/982865029.db2.gz ZGUNYSJZBBOCSL-LBPRGKRZSA-N -1 0 384.436 3.370 20 50 GGGDRM O=C([O-])c1ccc(COc2ccccc2C=NNC(=O)c2ccc(O)cc2)cc1 ZINC001084574405 982923320 /nfs/dbraw/zinc/92/33/20/982923320.db2.gz NWJDQYZUACQKPN-UHFFFAOYSA-N -1 0 390.395 3.433 20 50 GGGDRM CCCOC(=O)c1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001595940155 983090886 /nfs/dbraw/zinc/09/08/86/983090886.db2.gz ODWMHXPVAUHTMU-UHFFFAOYSA-N -1 0 375.356 3.239 20 50 GGGDRM CCCOc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1OCC ZINC001595954494 983138428 /nfs/dbraw/zinc/13/84/28/983138428.db2.gz JBCWGCIBSICTOO-UHFFFAOYSA-N -1 0 376.384 3.468 20 50 GGGDRM CCCOc1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC001595960201 983149628 /nfs/dbraw/zinc/14/96/28/983149628.db2.gz DVAVDJFUIPRWSH-UHFFFAOYSA-N -1 0 377.372 3.470 20 50 GGGDRM CCCOc1ccc(OCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001595966289 983171558 /nfs/dbraw/zinc/17/15/58/983171558.db2.gz GIRYDIWHOHHPSN-UHFFFAOYSA-N -1 0 378.812 3.349 20 50 GGGDRM CCCOc1cn(-c2ccccc2)nc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595975163 983208919 /nfs/dbraw/zinc/20/89/19/983208919.db2.gz AQEKILMMKMYBQH-UHFFFAOYSA-N -1 0 398.394 3.255 20 50 GGGDRM CCCc1c(C(=O)NNC(=S)Nc2cc(C)ccc2F)[nH]c(C)c1C(=O)[O-] ZINC001596045522 983334064 /nfs/dbraw/zinc/33/40/64/983334064.db2.gz GQILJVYFMNWXML-UHFFFAOYSA-N -1 0 392.456 3.053 20 50 GGGDRM CCCc1ccc(N2C[C@@H](C(=O)NNc3ccc(C)c(C(=O)[O-])c3)CC2=O)cc1 ZINC001596065287 983380350 /nfs/dbraw/zinc/38/03/50/983380350.db2.gz WJKWNHTYAWINQU-INIZCTEOSA-N -1 0 395.459 3.142 20 50 GGGDRM CCCc1ncc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)s1 ZINC001596099550 983423088 /nfs/dbraw/zinc/42/30/88/983423088.db2.gz MNOYZVFJYAXZFA-UHFFFAOYSA-N -1 0 384.255 3.313 20 50 GGGDRM CCCc1nc2ccccc2n1CCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001596100957 983423791 /nfs/dbraw/zinc/42/37/91/983423791.db2.gz YLXLWGIRELVTQZ-UHFFFAOYSA-N -1 0 384.411 3.360 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1C ZINC001596108085 983432995 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GGGDRM C=CC[C@]1(C(=O)NNc2ccccc2C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588764507 984122324 /nfs/dbraw/zinc/12/23/24/984122324.db2.gz BYNQPYBASYPPGL-HXUWFJFHSA-N -1 0 389.452 3.174 20 50 GGGDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001588793890 984223271 /nfs/dbraw/zinc/22/32/71/984223271.db2.gz FFMLBEQJGASVDF-HNNXBMFYSA-N -1 0 377.441 3.078 20 50 GGGDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001588794084 984224441 /nfs/dbraw/zinc/22/44/41/984224441.db2.gz KZQAFQNYNQSQDN-AWEZNQCLSA-N -1 0 395.431 3.217 20 50 GGGDRM CCOC(=O)/C=C/c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001596586950 984518170 /nfs/dbraw/zinc/51/81/70/984518170.db2.gz MRHZWXCBDHRWKT-DHZHZOJOSA-N -1 0 387.367 3.249 20 50 GGGDRM CCOC(=O)N(C)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001596642455 984637240 /nfs/dbraw/zinc/63/72/40/984637240.db2.gz BHLYBBFHGYVROP-UHFFFAOYSA-N -1 0 386.408 3.055 20 50 GGGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC001599893768 984727490 /nfs/dbraw/zinc/72/74/90/984727490.db2.gz DGMNTMZNIVEVHB-JTQLQIEISA-N -1 0 382.342 3.115 20 50 GGGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1OC(F)F ZINC001599894112 984731375 /nfs/dbraw/zinc/73/13/75/984731375.db2.gz MSQAIWLNNLSWQU-JTQLQIEISA-N -1 0 397.353 3.442 20 50 GGGDRM CCOC(=O)Nc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596667238 984733473 /nfs/dbraw/zinc/73/34/73/984733473.db2.gz VGINFIJWBCNHGI-UHFFFAOYSA-N -1 0 376.344 3.241 20 50 GGGDRM C[C@H](Oc1ccc(Br)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599906250 984925988 /nfs/dbraw/zinc/92/59/88/984925988.db2.gz MNUJBUVSDMABQX-VIFPVBQESA-N -1 0 397.200 3.197 20 50 GGGDRM CC(=O)CCc1ccc(OCCC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001589034929 985077068 /nfs/dbraw/zinc/07/70/68/985077068.db2.gz KNLNTIKJLDGULZ-UHFFFAOYSA-N -1 0 384.432 3.127 20 50 GGGDRM CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C12CCCCC2 ZINC001596820885 985414471 /nfs/dbraw/zinc/41/44/71/985414471.db2.gz BXKUNPGGMJYKAJ-LSDHHAIUSA-N -1 0 379.432 3.278 20 50 GGGDRM Cc1nc(-c2ccccn2)nc(NNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC001599941061 985454922 /nfs/dbraw/zinc/45/49/22/985454922.db2.gz GGZCLIMGZGCDRP-UHFFFAOYSA-N -1 0 397.822 3.264 20 50 GGGDRM Cc1[nH]c(=O)c(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1-c1ccccc1 ZINC001599941377 985459240 /nfs/dbraw/zinc/45/92/40/985459240.db2.gz JFODTUIKXYEFBZ-UHFFFAOYSA-N -1 0 381.363 3.357 20 50 GGGDRM Cc1[nH]c(=O)c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1-c1ccccc1 ZINC001599941808 985464178 /nfs/dbraw/zinc/46/41/78/985464178.db2.gz VBSWJTYMLHSUGC-UHFFFAOYSA-N -1 0 381.363 3.357 20 50 GGGDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C ZINC001596869693 985691002 /nfs/dbraw/zinc/69/10/02/985691002.db2.gz RUOKXDZAQPOZAD-ZYNFKGNASA-N -1 0 389.496 3.006 20 50 GGGDRM CC(=O)OCCCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001589230263 985771913 /nfs/dbraw/zinc/77/19/13/985771913.db2.gz MYMFCFPAVUSFRZ-UHFFFAOYSA-N -1 0 389.383 3.168 20 50 GGGDRM CC(=O)OCCCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001589230514 985775579 /nfs/dbraw/zinc/77/55/79/985775579.db2.gz WHADBUCHPDMWDF-UHFFFAOYSA-N -1 0 385.420 3.338 20 50 GGGDRM CC(=O)c1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1 ZINC001589277046 985991627 /nfs/dbraw/zinc/99/16/27/985991627.db2.gz AFBQALHCDFQBNE-UHFFFAOYSA-N -1 0 377.194 3.107 20 50 GGGDRM Cc1c(Br)cc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599970193 985993227 /nfs/dbraw/zinc/99/32/27/985993227.db2.gz CEVIJEGMEGLXFV-UHFFFAOYSA-N -1 0 394.181 3.121 20 50 GGGDRM Cc1c(Br)ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c1F ZINC001599972241 986026716 /nfs/dbraw/zinc/02/67/16/986026716.db2.gz ZSUNAVYNNLBVRM-UHFFFAOYSA-N -1 0 381.201 3.281 20 50 GGGDRM Cc1c(F)c(Br)ccc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599981742 986172645 /nfs/dbraw/zinc/17/26/45/986172645.db2.gz BOBNCAJUODKXDV-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM Cc1c(F)c(Br)ccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599982029 986176868 /nfs/dbraw/zinc/17/68/68/986176868.db2.gz IESPQAHIYMVXSZ-UHFFFAOYSA-N -1 0 385.164 3.491 20 50 GGGDRM CCOc1cc(C(=O)NNc2ccc(SC)cc2)ccc1OCC(=O)[O-] ZINC001597005994 986334771 /nfs/dbraw/zinc/33/47/71/986334771.db2.gz XOPRQAVTROMDFY-UHFFFAOYSA-N -1 0 376.434 3.028 20 50 GGGDRM C[C@@H]1CN(c2ccc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001594574625 986407496 /nfs/dbraw/zinc/40/74/96/986407496.db2.gz CRHMKBKYOREIFJ-GASCZTMLSA-N -1 0 398.463 3.076 20 50 GGGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)[C@H](CC)c1ccccc1 ZINC001597021298 986409671 /nfs/dbraw/zinc/40/96/71/986409671.db2.gz WWMHOPDJHQERCP-OAHLLOKOSA-N -1 0 385.420 3.130 20 50 GGGDRM CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033406 986462631 /nfs/dbraw/zinc/46/26/31/986462631.db2.gz UCMVELHYXRHVER-OQLLNIDSSA-N -1 0 398.415 3.387 20 50 GGGDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNc1ccccc1C(=O)[O-])O[C@H](C)C2 ZINC001597044459 986504364 /nfs/dbraw/zinc/50/43/64/986504364.db2.gz JIBBZJVLZYTILR-ISTRZQFTSA-N -1 0 396.443 3.354 20 50 GGGDRM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1)O[C@@H](C)C2 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CCOc1ccc(NNC(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC001597125734 986832645 /nfs/dbraw/zinc/83/26/45/986832645.db2.gz DPLXLOWNUMTUAC-UHFFFAOYSA-N -1 0 379.210 3.303 20 50 GGGDRM CCOc1ccc(OCCCC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597132960 986860173 /nfs/dbraw/zinc/86/01/73/986860173.db2.gz XRBILEPGQTZTGW-UHFFFAOYSA-N -1 0 376.384 3.225 20 50 GGGDRM C[C@@H]1Sc2ccc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)cc2NC1=O ZINC001594665440 986958720 /nfs/dbraw/zinc/95/87/20/986958720.db2.gz FWPIGLXEWQUZBG-QMMMGPOBSA-N -1 0 391.836 3.228 20 50 GGGDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001594725248 987228617 /nfs/dbraw/zinc/22/86/17/987228617.db2.gz PLZVEAWJIZAIGC-ZDUSSCGKSA-N -1 0 386.383 3.031 20 50 GGGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)c1cccc(C(F)(F)F)n1 ZINC001589574687 987347522 /nfs/dbraw/zinc/34/75/22/987347522.db2.gz FCMBMQMUHDCCIG-UHFFFAOYSA-N -1 0 385.317 3.359 20 50 GGGDRM CC(C)(C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(C(F)(F)F)n1 ZINC001589574735 987348221 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384.205 3.242 20 50 GGGDRM CCc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnn1-c1ccc(C)cc1 ZINC001597411026 987698987 /nfs/dbraw/zinc/69/89/87/987698987.db2.gz UUAGTUMOTSDKNE-UHFFFAOYSA-N -1 0 378.432 3.127 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001597424202 987747115 /nfs/dbraw/zinc/74/71/15/987747115.db2.gz MYAMXTDZWGMHAN-UHFFFAOYSA-N -1 0 379.214 3.253 20 50 GGGDRM CCc1cc(Br)ccc1NNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001597424191 987747238 /nfs/dbraw/zinc/74/72/38/987747238.db2.gz MPFHHNYUPCIYKA-GQCTYLIASA-N -1 0 379.210 3.459 20 50 GGGDRM CC(C)(C)C(=O)NC1CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001589689942 987747573 /nfs/dbraw/zinc/74/75/73/987747573.db2.gz CVRAATHHMLLYGX-UHFFFAOYSA-N -1 0 395.887 3.202 20 50 GGGDRM CCc1cc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)ccc1O ZINC001597430615 987770536 /nfs/dbraw/zinc/77/05/36/987770536.db2.gz BNKQKYVVZXAMIW-UHFFFAOYSA-N -1 0 379.210 3.172 20 50 GGGDRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001589693979 987771201 /nfs/dbraw/zinc/77/12/01/987771201.db2.gz NSWWNWIJFPRPPX-UHFFFAOYSA-N -1 0 391.374 3.405 20 50 GGGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589698650 987781705 /nfs/dbraw/zinc/78/17/05/987781705.db2.gz HDIXYJFVTIYSPB-GXTWGEPZSA-N -1 0 382.254 3.354 20 50 GGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589698651 987781774 /nfs/dbraw/zinc/78/17/74/987781774.db2.gz HDIXYJFVTIYSPB-JSGCOSHPSA-N -1 0 382.254 3.354 20 50 GGGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(C(=O)[O-])[nH]3)cc2C1 ZINC001589734921 987981578 /nfs/dbraw/zinc/98/15/78/987981578.db2.gz KWYRGUBGLQLDFH-NSHDSACASA-N -1 0 389.477 3.000 20 50 GGGDRM CCc1ccc(C#CC(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1 ZINC001597495647 988044145 /nfs/dbraw/zinc/04/41/45/988044145.db2.gz ZANJKZFTULYATJ-UHFFFAOYSA-N -1 0 387.233 3.205 20 50 GGGDRM CSc1cc2c(cc1NC(=O)NNc1cccc(C(=O)[O-])c1)OCCO2 ZINC001599809892 988315330 /nfs/dbraw/zinc/31/53/30/988315330.db2.gz SEUGBFMRKKQHRR-UHFFFAOYSA-N -1 0 375.406 3.027 20 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397.431 3.392 20 50 GGGDRM CC(C)(C)OC(=O)N1Cc2cccc(C(=O)NNc3ccccc3C(=O)[O-])c2C1 ZINC001590106753 989265770 /nfs/dbraw/zinc/26/57/70/989265770.db2.gz YUOBMDQKPLYSSZ-UHFFFAOYSA-N -1 0 397.431 3.392 20 50 GGGDRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590146626 989420760 /nfs/dbraw/zinc/42/07/60/989420760.db2.gz BYABDMZIBCXPHG-DGCLKSJQSA-N -1 0 395.431 3.051 20 50 GGGDRM CC(C)(C)OC(=O)NCc1ccccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC001590229537 989601355 /nfs/dbraw/zinc/60/13/55/989601355.db2.gz JELWQARQSCLHGO-UHFFFAOYSA-N -1 0 385.420 3.166 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)nc1 ZINC001590305164 989734950 /nfs/dbraw/zinc/73/49/50/989734950.db2.gz CVCHKSSKHWQIEQ-UHFFFAOYSA-N -1 0 390.371 3.023 20 50 GGGDRM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NNc2cccc(F)c2C(=O)[O-])s1 ZINC001590319278 989753844 /nfs/dbraw/zinc/75/38/44/989753844.db2.gz AEDXGKNFPBFYDT-UHFFFAOYSA-N -1 0 396.400 3.084 20 50 GGGDRM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001590319493 989755714 /nfs/dbraw/zinc/75/57/14/989755714.db2.gz HGPJHGWMYTVTDJ-UHFFFAOYSA-N -1 0 396.400 3.084 20 50 GGGDRM CC(C)(C)OC(=O)Nc1ccoc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001590319894 989759176 /nfs/dbraw/zinc/75/91/76/989759176.db2.gz QBSRFWAVEPLTME-UHFFFAOYSA-N -1 0 379.344 3.221 20 50 GGGDRM CC(C)(C)O[C@H]1C[C@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C12CCC2 ZINC001590374697 989871340 /nfs/dbraw/zinc/87/13/40/989871340.db2.gz RVYVNXBIPISJSB-GJZGRUSLSA-N -1 0 379.432 3.276 20 50 GGGDRM CC(C)(C)[Si](C)(C)OCc1csc(CN2CCOC[C@@H]2CC(=O)[O-])n1 ZINC001590451835 990015458 /nfs/dbraw/zinc/01/54/58/990015458.db2.gz TXCIPSIOZXYMIA-AWEZNQCLSA-N -1 0 386.590 3.340 20 50 GGGDRM CC(C)(C)[Si](C)(C)OCc1csc(CN2CCOC[C@H]2CC(=O)[O-])n1 ZINC001590451836 990015635 /nfs/dbraw/zinc/01/56/35/990015635.db2.gz TXCIPSIOZXYMIA-CQSZACIVSA-N -1 0 386.590 3.340 20 50 GGGDRM CC(C)(CNC(=O)NNc1ccc(Cl)c(Br)c1)CC(=O)[O-] ZINC001590726657 990519616 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1441828179 /nfs/dbraw/zinc/82/81/79/1441828179.db2.gz ALMAZSDHLOJKCO-YVLHZVERSA-N -1 0 381.399 3.355 20 50 GGGDRM COc1ccc(C=C(C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1-c1nn[n-]n1 ZINC000737073814 1441871209 /nfs/dbraw/zinc/87/12/09/1441871209.db2.gz BZLUJYNOACEEDF-ZSOIEALJSA-N -1 0 384.399 3.455 20 50 GGGDRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824731160 1441875248 /nfs/dbraw/zinc/87/52/48/1441875248.db2.gz SGZLDYCLWFPNJR-SECBINFHSA-N -1 0 393.234 3.084 20 50 GGGDRM C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824715945 1441968369 /nfs/dbraw/zinc/96/83/69/1441968369.db2.gz VLEAXRPQCPEHGB-NDIKUOACSA-N -1 0 391.269 3.425 20 50 GGGDRM CCCCOc1ccc(OC)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825296332 1442007515 /nfs/dbraw/zinc/00/75/15/1442007515.db2.gz DUQFWWHIDJOTHM-UHFFFAOYSA-N -1 0 397.439 3.203 20 50 GGGDRM O=C(NN=CC(Br)=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128407 1442096497 /nfs/dbraw/zinc/09/64/97/1442096497.db2.gz 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C[C@H](C(=O)NNc1ncccc1C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC001573363789 958609580 /nfs/dbraw/zinc/60/95/80/958609580.db2.gz NFKILQOVDSFGPR-AWEZNQCLSA-N -1 0 389.411 3.258 20 50 GGGDRM Cc1cccc(C(C)C)c1NNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001594390274 958706049 /nfs/dbraw/zinc/70/60/49/958706049.db2.gz ITBSBNDXQDYUFH-GOSISDBHSA-N -1 0 380.448 3.281 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C ZINC001594413913 958980228 /nfs/dbraw/zinc/98/02/28/958980228.db2.gz ORVBLTRYOJWCAD-FRTKNVGNSA-N -1 0 377.444 3.289 20 50 GGGDRM CC(C)[C@H]1CCc2nc(NC(=O)NNc3ncccc3C(=O)[O-])sc2C1 ZINC001573502577 959072402 /nfs/dbraw/zinc/07/24/02/959072402.db2.gz PUBCZVVCBGCQNJ-JTQLQIEISA-N -1 0 375.454 3.146 20 50 GGGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001588634846 959645205 /nfs/dbraw/zinc/64/52/05/959645205.db2.gz WBURVBWEIFALML-CQSZACIVSA-N -1 0 396.369 3.352 20 50 GGGDRM CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OCC(=O)[O-])cc2)c1C 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O=C([O-])c1cccnc1NNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC001605821011 972552126 /nfs/dbraw/zinc/55/21/26/972552126.db2.gz RATDHKHKVARNFF-UHFFFAOYSA-N -1 0 388.427 3.099 20 50 GGGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001605821227 972553213 /nfs/dbraw/zinc/55/32/13/972553213.db2.gz YFXDERVJVDBVCU-UHFFFAOYSA-N -1 0 378.413 3.390 20 50 GGGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001603320411 972635240 /nfs/dbraw/zinc/63/52/40/972635240.db2.gz FHUXFOQSGYFVRG-AWEZNQCLSA-N -1 0 394.642 3.300 20 50 GGGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])cc(C)c1OCc1cccnc1 ZINC001605120432 972778850 /nfs/dbraw/zinc/77/88/50/972778850.db2.gz GNBAZPTUZWZSQN-UHFFFAOYSA-N -1 0 392.415 3.128 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1-c1ccc(F)cc1 ZINC001605163675 972854238 /nfs/dbraw/zinc/85/42/38/972854238.db2.gz ALPRWNPLBSZQIP-LDADJPATSA-N -1 0 395.434 3.463 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001605164066 972857214 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O=C([O-])CCC1CCN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CC1 ZINC001606125992 973368741 /nfs/dbraw/zinc/36/87/41/973368741.db2.gz NIMLYRLWPRWGAC-CRAIPNDOSA-N -1 0 380.282 3.195 20 50 GGGDRM O=C([O-])Cc1cccc(NC(=O)NNc2ccc(F)cc2Br)c1 ZINC001606312311 973726277 /nfs/dbraw/zinc/72/62/77/973726277.db2.gz IPZURGBABSRFLH-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1cccc(F)c1Br ZINC001606320759 973740010 /nfs/dbraw/zinc/74/00/10/973740010.db2.gz XBHROOFCKDTLFH-UHFFFAOYSA-N -1 0 382.189 3.364 20 50 GGGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603641210 973989086 /nfs/dbraw/zinc/98/90/86/973989086.db2.gz WNFDHECDBDWTKX-GOSISDBHSA-N -1 0 390.480 3.298 20 50 GGGDRM COc1ccc(Oc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cn2)cc1 ZINC001604827496 974069276 /nfs/dbraw/zinc/06/92/76/974069276.db2.gz IFBBMYWRZBXSLW-UHFFFAOYSA-N -1 0 395.375 3.124 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC001603699012 974095556 /nfs/dbraw/zinc/09/55/56/974095556.db2.gz TYKAWOALJMBGPP-QRRJMBGHSA-N -1 0 379.460 3.234 20 50 GGGDRM CC(C)OCc1ccccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591734675 975719254 /nfs/dbraw/zinc/71/92/54/975719254.db2.gz IFUVYMJQFYIELX-UHFFFAOYSA-N -1 0 375.400 3.275 20 50 GGGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC001591769660 975894664 /nfs/dbraw/zinc/89/46/64/975894664.db2.gz UMGWSTPPKKLZBT-UHFFFAOYSA-N -1 0 399.447 3.303 20 50 GGGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)c1ccc(Cl)cc1 ZINC001591769751 975896267 /nfs/dbraw/zinc/89/62/67/975896267.db2.gz ZBBZFLHRZQRNMJ-UHFFFAOYSA-N -1 0 391.811 3.292 20 50 GGGDRM CC(C)Oc1cccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)n1 ZINC001591791810 975990192 /nfs/dbraw/zinc/99/01/92/975990192.db2.gz OQZLVFALJIVPLD-UHFFFAOYSA-N -1 0 394.225 3.086 20 50 GGGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001591923431 976400650 /nfs/dbraw/zinc/40/06/50/976400650.db2.gz PDOCSYGANPUEKK-UHFFFAOYSA-N -1 0 377.832 3.419 20 50 GGGDRM CC(C)c1ccc(NNC(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC001591974445 976589599 /nfs/dbraw/zinc/58/95/99/976589599.db2.gz XRGPHBFMLCWOSK-UHFFFAOYSA-N -1 0 391.449 3.060 20 50 GGGDRM CC(C)n1cc(Br)cc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592122195 976932306 /nfs/dbraw/zinc/93/23/06/976932306.db2.gz CHRIRFLWIGEGGE-UHFFFAOYSA-N -1 0 384.205 3.426 20 50 GGGDRM CC(C)n1ncc2c1[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)CCC2 ZINC001592156988 977030972 /nfs/dbraw/zinc/03/09/72/977030972.db2.gz AULPMFAIUCRMQK-CQSZACIVSA-N -1 0 375.404 3.005 20 50 GGGDRM CC(C)n1ncc2c1[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC001592159019 977040512 /nfs/dbraw/zinc/04/05/12/977040512.db2.gz XFYVPQWJYOVGCA-HNNXBMFYSA-N -1 0 375.404 3.005 20 50 GGGDRM C[C@H](CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccc(F)cc1F ZINC001592226255 977417355 /nfs/dbraw/zinc/41/73/55/977417355.db2.gz ARKDUMZKWWXLEL-SNVBAGLBSA-N -1 0 383.420 3.052 20 50 GGGDRM C[C@H](CC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccncc1 ZINC001592253570 977486785 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HTOCJYYRDWZPEQ-OVCLIPMQSA-N -1 0 380.356 3.465 20 50 GGGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000736417078 978332473 /nfs/dbraw/zinc/33/24/73/978332473.db2.gz SPEWDICFEABHGM-NSHDSACASA-N -1 0 378.654 3.228 20 50 GGGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736431909 978334061 /nfs/dbraw/zinc/33/40/61/978334061.db2.gz IZBPGBJQJVLNPF-UHFFFAOYSA-N -1 0 385.420 3.276 20 50 GGGDRM C[C@@H](Sc1ccccc1C(=O)NNC(=O)CCCc1ccccc1)C(=O)[O-] ZINC000736715297 978351973 /nfs/dbraw/zinc/35/19/73/978351973.db2.gz CORXRSKOPRBARR-CQSZACIVSA-N -1 0 386.473 3.036 20 50 GGGDRM C[C@@H](Sc1ccccc1C(=O)NNC(=O)CCCc1cccs1)C(=O)[O-] ZINC000736715220 978352124 /nfs/dbraw/zinc/35/21/24/978352124.db2.gz AKFTTWOYOATRKG-GFCCVEGCSA-N -1 0 392.502 3.097 20 50 GGGDRM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736762402 978354404 /nfs/dbraw/zinc/35/44/04/978354404.db2.gz ARFWRYAKIHMUQY-HZMBPMFUSA-N -1 0 384.344 3.107 20 50 GGGDRM CC[C@H](C(=O)NNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000736845719 978360425 /nfs/dbraw/zinc/36/04/25/978360425.db2.gz CQQFYHXNRUCOPO-HIFRSBDPSA-N -1 0 386.473 3.207 20 50 GGGDRM CCCc1c(C(=O)NNC(=O)c2cccc3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC000737042461 978375255 /nfs/dbraw/zinc/37/52/55/978375255.db2.gz CZWSNAQKGSQFAS-UHFFFAOYSA-N -1 0 379.416 3.202 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2nc(CC(=O)[O-])cs2)c1C ZINC000737050709 978376105 /nfs/dbraw/zinc/37/61/05/978376105.db2.gz NCTLGKAHCVDEPI-OVCLIPMQSA-N -1 0 386.477 3.169 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1C ZINC000737051047 978376259 /nfs/dbraw/zinc/37/62/59/978376259.db2.gz PBJVYBPEZSLBBR-UYRXBGFRSA-N -1 0 395.459 3.315 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2nc(CC(=O)[O-])cs2)c1C ZINC000737050708 978376518 /nfs/dbraw/zinc/37/65/18/978376518.db2.gz NCTLGKAHCVDEPI-NVNXTCNLSA-N -1 0 386.477 3.169 20 50 GGGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000737094461 978379249 /nfs/dbraw/zinc/37/92/49/978379249.db2.gz XOTYQHKJXOZVNR-SFQUDFHCSA-N -1 0 383.423 3.463 20 50 GGGDRM CCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1OCC(=O)[O-] ZINC000737185442 978386062 /nfs/dbraw/zinc/38/60/62/978386062.db2.gz SHIWVVFHWZTNGB-UHFFFAOYSA-N -1 0 398.337 3.324 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000737194571 978386433 /nfs/dbraw/zinc/38/64/33/978386433.db2.gz FIXHZSRSSKFABW-DAIOKFOQSA-N -1 0 396.418 3.191 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000737194578 978386697 /nfs/dbraw/zinc/38/66/97/978386697.db2.gz FIXHZSRSSKFABW-WAFWZSCLSA-N -1 0 396.418 3.191 20 50 GGGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000737194575 978386749 /nfs/dbraw/zinc/38/67/49/978386749.db2.gz FIXHZSRSSKFABW-LTXFRBGYSA-N -1 0 396.418 3.191 20 50 GGGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC000737194200 978386857 /nfs/dbraw/zinc/38/68/57/978386857.db2.gz ATJLJODAIKVOTG-CBXNMNPBSA-N -1 0 392.455 3.360 20 50 GGGDRM CCOc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1OC ZINC000737195449 978387177 /nfs/dbraw/zinc/38/71/77/978387177.db2.gz ONZWNPQZIFRZPO-UHFFFAOYSA-N -1 0 381.388 3.037 20 50 GGGDRM CCOc1cccc2c1OCC(C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)=C2 ZINC000737212715 978389286 /nfs/dbraw/zinc/38/92/86/978389286.db2.gz IUPPXEWOPYDGEI-UHFFFAOYSA-N -1 0 385.328 3.073 20 50 GGGDRM CCc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1Cc1ccccc1 ZINC000737250682 978391349 /nfs/dbraw/zinc/39/13/49/978391349.db2.gz LUXSQUZHCIFKFC-UHFFFAOYSA-N -1 0 395.371 3.319 20 50 GGGDRM COC(=O)c1cc(NC(=O)NNc2ncc(Cl)cc2Cl)cc(C(=O)[O-])c1 ZINC000737660514 978427664 /nfs/dbraw/zinc/42/76/64/978427664.db2.gz AXSAJJFGNJFROG-UHFFFAOYSA-N -1 0 399.190 3.022 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Oc2cccc(CC(=O)[O-])c2)c1C ZINC000737747379 978441488 /nfs/dbraw/zinc/44/14/88/978441488.db2.gz LXZUEKZZHRBYRZ-SKCQWOFPSA-N -1 0 396.443 3.452 20 50 GGGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1C ZINC000737749723 978442211 /nfs/dbraw/zinc/44/22/11/978442211.db2.gz ZUEFQPLBFKSUEW-WJHGTXIHSA-N -1 0 384.436 3.193 20 50 GGGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1C ZINC000737749720 978442237 /nfs/dbraw/zinc/44/22/37/978442237.db2.gz ZUEFQPLBFKSUEW-TUTDSIAXSA-N -1 0 384.436 3.193 20 50 GGGDRM COc1cc(C=NNC(=O)CC(C)(C)C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000737879829 978453015 /nfs/dbraw/zinc/45/30/15/978453015.db2.gz VQINOXFXHDJXKA-UHFFFAOYSA-N -1 0 388.420 3.452 20 50 GGGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c2C)cc1 ZINC000737917531 978457826 /nfs/dbraw/zinc/45/78/26/978457826.db2.gz GLBJVNYCDQBRAI-ATVHPVEESA-N -1 0 395.459 3.331 20 50 GGGDRM Cc1nc(-c2cccnc2)nc(NNC(=O)c2ccc(NC(=O)[O-])cc2)c1C ZINC000738149740 978486978 /nfs/dbraw/zinc/48/69/78/978486978.db2.gz YSHMJZHBPPWDQU-UHFFFAOYSA-N -1 0 378.392 3.002 20 50 GGGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000738168541 978494489 /nfs/dbraw/zinc/49/44/89/978494489.db2.gz JHUMKAIHRFRCND-UHFFFAOYSA-N -1 0 383.154 3.220 20 50 GGGDRM Cc1c(/C=C(\C#N)C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc(C#N)n1C ZINC000738290111 978512775 /nfs/dbraw/zinc/51/27/75/978512775.db2.gz ZYTVINMLWYAUFV-FRKPEAEDSA-N -1 0 394.456 3.069 20 50 GGGDRM Cc1c(/C=C(/C#N)C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc(C#N)n1C ZINC000738290108 978512843 /nfs/dbraw/zinc/51/28/43/978512843.db2.gz ZYTVINMLWYAUFV-APSNUPSMSA-N -1 0 394.456 3.069 20 50 GGGDRM Cc1cc(C(=O)NN[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1-c1ccccc1 ZINC000738332010 978517340 /nfs/dbraw/zinc/51/73/40/978517340.db2.gz BBLFEJQRVTZOMW-IBGZPJMESA-N -1 0 381.407 3.294 20 50 GGGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000738350120 978522045 /nfs/dbraw/zinc/52/20/45/978522045.db2.gz AOLIWWYOESMQBO-UHFFFAOYSA-N -1 0 384.348 3.146 20 50 GGGDRM Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)n1 ZINC000738369847 978525659 /nfs/dbraw/zinc/52/56/59/978525659.db2.gz QLJWRVNZEJFXBM-UHFFFAOYSA-N -1 0 381.344 3.315 20 50 GGGDRM Cc1cc(C)n(-c2ccc(CC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)n1 ZINC000738372014 978526786 /nfs/dbraw/zinc/52/67/86/978526786.db2.gz MTSFXQBRUKHPQX-UHFFFAOYSA-N -1 0 395.371 3.244 20 50 GGGDRM Cc1cc(C)n(Cc2cccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)n1 ZINC000738376705 978527310 /nfs/dbraw/zinc/52/73/10/978527310.db2.gz HPJOYQQSGBXAFX-UHFFFAOYSA-N -1 0 395.371 3.374 20 50 GGGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCSC[C@@H]2CC(=O)[O-])c(C)n1CC(C)C ZINC000738378124 978528232 /nfs/dbraw/zinc/52/82/32/978528232.db2.gz ANMKTGSWBGWJGY-ZUPDTJCQSA-N -1 0 389.521 3.087 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCSC[C@H]2CC(=O)[O-])c(C)n1CC(C)C ZINC000738378121 978528239 /nfs/dbraw/zinc/52/82/39/978528239.db2.gz ANMKTGSWBGWJGY-ZKLMEHKCSA-N -1 0 389.521 3.087 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2ccn(CC(=O)[O-])n2)c(C)n1C1CCCCC1 ZINC000738379061 978529656 /nfs/dbraw/zinc/52/96/56/978529656.db2.gz NUGQXWDMGONGAO-BOPFTXTBSA-N -1 0 395.463 3.437 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC#N)CC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000738379225 978530610 /nfs/dbraw/zinc/53/06/10/978530610.db2.gz NKDDBAKTEWFXMH-YBEGLDIGSA-N -1 0 396.834 3.091 20 50 GGGDRM Cc1cc(C=NNC(=O)c2cccc3ncccc32)cc(C)c1OCC(=O)[O-] ZINC000738380266 978531313 /nfs/dbraw/zinc/53/13/13/978531313.db2.gz YPJOEWMZQJTNGN-UHFFFAOYSA-N -1 0 377.400 3.079 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)NCCSCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738498063 978548172 /nfs/dbraw/zinc/54/81/72/978548172.db2.gz KNKCFDWZAZJHCT-WQRHYEAKSA-N -1 0 397.500 3.244 20 50 GGGDRM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000738609317 978574783 /nfs/dbraw/zinc/57/47/83/978574783.db2.gz SSTFJGIQRAESPG-UHFFFAOYSA-N -1 0 381.881 3.134 20 50 GGGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756420 978600357 /nfs/dbraw/zinc/60/03/57/978600357.db2.gz MNDNJSFGBMZYGG-VUQQOUJSSA-N -1 0 379.460 3.489 20 50 GGGDRM Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000738832692 978604353 /nfs/dbraw/zinc/60/43/53/978604353.db2.gz TYLLJDWTOTWLFE-UHFFFAOYSA-N -1 0 381.413 3.286 20 50 GGGDRM Cn1cccc1C(=O)NN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000739043525 978614449 /nfs/dbraw/zinc/61/44/49/978614449.db2.gz RDLPHAJBCKLFDR-UHFFFAOYSA-N -1 0 377.400 3.066 20 50 GGGDRM O=C([O-])c1cc(OC(=O)/C=C\c2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000739215313 978620758 /nfs/dbraw/zinc/62/07/58/978620758.db2.gz ILYFQSSRZHEKEY-UTCJRWHESA-N -1 0 382.122 3.267 20 50 GGGDRM O=C([O-])c1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000739255555 978624142 /nfs/dbraw/zinc/62/41/42/978624142.db2.gz ANMSIXBCMWXQMZ-UHFFFAOYSA-N -1 0 381.215 3.085 20 50 GGGDRM O=C([O-])c1ccc(COc2ccccc2C=NNC(=O)Cc2cccnc2)cc1 ZINC000739349489 978631383 /nfs/dbraw/zinc/63/13/83/978631383.db2.gz NHCYEPXJHIOGOZ-UHFFFAOYSA-N -1 0 389.411 3.052 20 50 GGGDRM O=C([O-])N1CCC(=NNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000739451015 978636231 /nfs/dbraw/zinc/63/62/31/978636231.db2.gz WSYHRTYMPWZYRN-UHFFFAOYSA-N -1 0 389.637 3.354 20 50 GGGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000740154607 978670828 /nfs/dbraw/zinc/67/08/28/978670828.db2.gz IFLLCHSVAKWEPP-UHFFFAOYSA-N -1 0 380.356 3.026 20 50 GGGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3cccc(Br)c3)c2c1 ZINC000740188601 978671571 /nfs/dbraw/zinc/67/15/71/978671571.db2.gz DTPYCXHANVSXEP-UHFFFAOYSA-N -1 0 386.205 3.393 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2ccc(CN3CCCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000740307359 978674895 /nfs/dbraw/zinc/67/48/95/978674895.db2.gz KWYJDBGKPLNJRA-UHFFFAOYSA-N -1 0 398.371 3.025 20 50 GGGDRM O=C([O-])c1cc(OC(=O)c2cc(Cl)c3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000740308603 978675299 /nfs/dbraw/zinc/67/52/99/978675299.db2.gz XGMOESCQHDVOCK-UHFFFAOYSA-N -1 0 393.735 3.327 20 50 GGGDRM Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000749810618 978689773 /nfs/dbraw/zinc/68/97/73/978689773.db2.gz WEJLBABTYAXWLK-UHFFFAOYSA-N -1 0 388.836 3.441 20 50 GGGDRM O=C([O-])c1ccc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)[nH]1 ZINC000749812989 978690125 /nfs/dbraw/zinc/69/01/25/978690125.db2.gz VHIZEPAFXFSHQG-UHFFFAOYSA-N -1 0 399.410 3.330 20 50 GGGDRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)CC1CCCC1 ZINC000776554186 978752864 /nfs/dbraw/zinc/75/28/64/978752864.db2.gz BCXZJANMGSJQNL-INIZCTEOSA-N -1 0 387.929 3.417 20 50 GGGDRM Cc1cccc(C[C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C(=O)[O-])c1 ZINC000776641487 978764462 /nfs/dbraw/zinc/76/44/62/978764462.db2.gz BKHLIXBJWPIQAG-YIOZNXECSA-N -1 0 394.309 3.308 20 50 GGGDRM Cc1ccc([C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C(=O)[O-])cc1 ZINC000776641982 978764495 /nfs/dbraw/zinc/76/44/95/978764495.db2.gz MTJSTCMTNGCROR-WLLUSJSYSA-N -1 0 380.282 3.233 20 50 GGGDRM Cc1ccc([C@@H](CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C(=O)[O-])cc1 ZINC000776641981 978764598 /nfs/dbraw/zinc/76/45/98/978764598.db2.gz MTJSTCMTNGCROR-KDQZPGIASA-N -1 0 380.282 3.233 20 50 GGGDRM Cc1ccc([C@H](CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C(=O)[O-])cc1 ZINC000776641979 978764668 /nfs/dbraw/zinc/76/46/68/978764668.db2.gz MTJSTCMTNGCROR-ADOMEBDSSA-N -1 0 380.282 3.233 20 50 GGGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794684446 978814549 /nfs/dbraw/zinc/81/45/49/978814549.db2.gz BMHHYGHJPFCHBH-RERGGYADSA-N -1 0 393.399 3.043 20 50 GGGDRM COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000794685828 978814778 /nfs/dbraw/zinc/81/47/78/978814778.db2.gz KHGYQYUAZJNGHO-NWFCWYBLSA-N -1 0 396.399 3.101 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000794692966 978817047 /nfs/dbraw/zinc/81/70/47/978817047.db2.gz YPEMXESLAOSYJC-JMRXEAOASA-N -1 0 379.368 3.100 20 50 GGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000794691148 978817082 /nfs/dbraw/zinc/81/70/82/978817082.db2.gz MLRKRADIEAPKFG-LWLPBDFMSA-N -1 0 384.819 3.415 20 50 GGGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794861007 978824101 /nfs/dbraw/zinc/82/41/01/978824101.db2.gz ZOJATTVKPSUAQE-MRXNPFEDSA-N -1 0 398.459 3.499 20 50 GGGDRM Cc1cc(C(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000794866400 978824216 /nfs/dbraw/zinc/82/42/16/978824216.db2.gz RXFWFYLLCOUMAC-CQSZACIVSA-N -1 0 377.400 3.159 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)CCSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794876918 978824637 /nfs/dbraw/zinc/82/46/37/978824637.db2.gz ABGWCXHZSXSZFX-ZDUSSCGKSA-N -1 0 390.436 3.310 20 50 GGGDRM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000794881647 978825736 /nfs/dbraw/zinc/82/57/36/978825736.db2.gz XHRBKQLBUVGBBX-HOTGVXAUSA-N -1 0 384.432 3.073 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000794886474 978825836 /nfs/dbraw/zinc/82/58/36/978825836.db2.gz KXPNLECJBXOUHR-HNNXBMFYSA-N -1 0 392.411 3.221 20 50 GGGDRM Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)[nH]n2)cc1 ZINC000794894501 978826367 /nfs/dbraw/zinc/82/63/67/978826367.db2.gz HQXIJCODUKVHHM-CQSZACIVSA-N -1 0 392.415 3.001 20 50 GGGDRM C[C@@H](Oc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000794894897 978826640 /nfs/dbraw/zinc/82/66/40/978826640.db2.gz LYVKMWPBAWFIQR-OAHLLOKOSA-N -1 0 376.412 3.385 20 50 GGGDRM C[C@H](Oc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794913347 978828495 /nfs/dbraw/zinc/82/84/95/978828495.db2.gz TWJNQCGQHKQBMB-LBPRGKRZSA-N -1 0 375.812 3.025 20 50 GGGDRM Cc1ccc(SCC(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799870551 978842835 /nfs/dbraw/zinc/84/28/35/978842835.db2.gz QHPXPTWFGNBPLY-UHFFFAOYSA-N -1 0 381.457 3.277 20 50 GGGDRM Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1C ZINC000809146197 978853608 /nfs/dbraw/zinc/85/36/08/978853608.db2.gz MUCBYEDQEZCQFN-LZYBPNLTSA-N -1 0 380.356 3.465 20 50 GGGDRM O=C([O-])c1cc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c[nH]1 ZINC000814695516 978873604 /nfs/dbraw/zinc/87/36/04/978873604.db2.gz 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GGGDRM CC[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1cccc(F)c1 ZINC001595150097 979638836 /nfs/dbraw/zinc/63/88/36/979638836.db2.gz OWAIMZSPBNDDON-CYBMUJFWSA-N -1 0 379.363 3.147 20 50 GGGDRM CC(C)c1ccc(NNC(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC001592857315 979663766 /nfs/dbraw/zinc/66/37/66/979663766.db2.gz IQIVDOIJURWGKU-CQSZACIVSA-N -1 0 383.448 3.155 20 50 GGGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC001592873868 979737963 /nfs/dbraw/zinc/73/79/63/979737963.db2.gz WCSKMIRMZQAPMB-KYGZHNPESA-N -1 0 399.491 3.319 20 50 GGGDRM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592882973 979755926 /nfs/dbraw/zinc/75/59/26/979755926.db2.gz IMQKGCXBWLMNQD-SNVBAGLBSA-N -1 0 383.326 3.000 20 50 GGGDRM CC[C@](COC)(NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC001595186985 979838358 /nfs/dbraw/zinc/83/83/58/979838358.db2.gz HTQQLURADUEZCW-LAINMTBBSA-N -1 0 389.496 3.054 20 50 GGGDRM CC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cc(F)ccc1OC 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GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1C ZINC001596107649 983432084 /nfs/dbraw/zinc/43/20/84/983432084.db2.gz HTQCFWZZOLVNAE-OFFMQOAPSA-N -1 0 394.475 3.323 20 50 GGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)c2nocc2C(=O)[O-])c1C ZINC001596107986 983432997 /nfs/dbraw/zinc/43/29/97/983432997.db2.gz OENFKZOOMUYGQE-OQLLNIDSSA-N -1 0 384.436 3.160 20 50 GGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1C ZINC001596108357 983434246 /nfs/dbraw/zinc/43/42/46/983434246.db2.gz YBIQPIQAFWQGQT-ZZODWALSSA-N -1 0 393.443 3.301 20 50 GGGDRM CCCn1nc(C)c(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c1C ZINC001596118396 983452854 /nfs/dbraw/zinc/45/28/54/983452854.db2.gz YEIXNFCORSCFHV-UHFFFAOYSA-N -1 0 395.257 3.128 20 50 GGGDRM CCN(CC(=O)NNc1ccc(C(=O)[O-])cc1OC)Cc1ccccc1Cl ZINC001596207178 983594219 /nfs/dbraw/zinc/59/42/19/983594219.db2.gz PUUNLPDZMSHYDR-UHFFFAOYSA-N -1 0 391.855 3.012 20 50 GGGDRM C=C(CBr)COC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588605864 983695324 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CC[C@H](C(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001594735785 987272340 /nfs/dbraw/zinc/27/23/40/987272340.db2.gz HLYUPTYMZGZEHH-ZDUSSCGKSA-N -1 0 375.812 3.385 20 50 GGGDRM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001594736064 987274309 /nfs/dbraw/zinc/27/43/09/987274309.db2.gz JBTRTWTWNFFXAK-CYBMUJFWSA-N -1 0 385.848 3.127 20 50 GGGDRM C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC001589552499 987287075 /nfs/dbraw/zinc/28/70/75/987287075.db2.gz GHEFOSOYOCGDBW-MRVPVSSYSA-N -1 0 378.268 3.049 20 50 GGGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC001589574617 987346476 /nfs/dbraw/zinc/34/64/76/987346476.db2.gz ACCYGPLNZJBMJD-QWHCGFSZSA-N -1 0 391.365 3.066 20 50 GGGDRM CC(C)(C(=O)NNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001589574784 987349287 /nfs/dbraw/zinc/34/92/87/987349287.db2.gz LKWDOZISHRVKDX-UHFFFAOYSA-N -1 0 393.802 3.308 20 50 GGGDRM CC(C)(C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Br)cc1 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GGGDRM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)c1ccccc1 ZINC000823280548 1429748157 /nfs/dbraw/zinc/74/81/57/1429748157.db2.gz AOMFKLQBYHXLRT-UHFFFAOYSA-N -1 0 398.295 3.121 20 50 GGGDRM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000824040194 1429752392 /nfs/dbraw/zinc/75/23/92/1429752392.db2.gz MPOJVOFUHRESLB-VIFPVBQESA-N -1 0 377.235 3.420 20 50 GGGDRM N#CC(=Cc1ccc(Br)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379541 1424863383 /nfs/dbraw/zinc/86/33/83/1424863383.db2.gz VAYMOYCUBHKAKP-XFFZJAGNSA-N -1 0 386.234 3.481 20 50 GGGDRM CC(C)C[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000735757628 1429762453 /nfs/dbraw/zinc/76/24/53/1429762453.db2.gz VCHSWPKABMXUNE-CQSZACIVSA-N -1 0 383.456 3.251 20 50 GGGDRM COc1ccccc1-c1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737143158 1424925865 /nfs/dbraw/zinc/92/58/65/1424925865.db2.gz PSAGHEHNRCRLMJ-UHFFFAOYSA-N -1 0 398.426 3.306 20 50 GGGDRM O=C(CCc1ccc(-c2ccccc2F)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408267 1425103268 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