smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCC1CCCCC1)N[N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000737822054 945130563 /nfs/dbraw/zinc/13/05/63/945130563.db2.gz BNOHXDBCVADWOB-UHFFFAOYSA-N -1 0 378.458 1.537 20 50 GDGDRM O=C(NCC1CC1)N[N-]C(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000738044548 945176548 /nfs/dbraw/zinc/17/65/48/945176548.db2.gz LJLVFEBLZFAQGS-UHFFFAOYSA-N -1 0 397.395 1.393 20 50 GDGDRM O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)c1cccc(Cl)c1 ZINC000738134612 945220807 /nfs/dbraw/zinc/22/08/07/945220807.db2.gz PJSBPKVOPDVXDR-UHFFFAOYSA-N -1 0 396.791 1.283 20 50 GDGDRM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738135889 945229124 /nfs/dbraw/zinc/22/91/24/945229124.db2.gz CVQVXWQSQNZDSI-UHFFFAOYSA-N -1 0 387.743 1.503 20 50 GDGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2ccnc(N3CCCCC3)n2)o1 ZINC000735938858 944717877 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20 50 GDGDRM O=C(NNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000823277287 946399499 /nfs/dbraw/zinc/39/94/99/946399499.db2.gz JBTOKKMYTUXSIF-UHFFFAOYSA-N -1 0 376.735 1.440 20 50 GDGDRM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823277525 946404643 /nfs/dbraw/zinc/40/46/43/946404643.db2.gz OOQJLRAFKGRLBQ-UHFFFAOYSA-N -1 0 387.743 1.503 20 50 GDGDRM CC(=O)c1cccc(OCC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c1 ZINC000824029102 946562109 /nfs/dbraw/zinc/56/21/09/946562109.db2.gz CZCQQVBBEDVJCN-UHFFFAOYSA-N -1 0 387.787 1.640 20 50 GDGDRM CCc1nn(C)c(Cl)c1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825760424 947320374 /nfs/dbraw/zinc/32/03/74/947320374.db2.gz ZGMUWTIJABVYSK-UHFFFAOYSA-N -1 0 382.215 1.621 20 50 GDGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2ccc(N(C)C)c(C=O)c2)o1 ZINC001574423994 948834465 /nfs/dbraw/zinc/83/44/65/948834465.db2.gz AJMKBSIQUDXMTF-UHFFFAOYSA-N -1 0 384.400 1.614 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)c1nscc1I ZINC001595262005 949677746 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20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001594781811 953637385 /nfs/dbraw/zinc/63/73/85/953637385.db2.gz IRLSOUVCSGKGJN-UHFFFAOYSA-N -1 0 385.380 1.401 20 50 GDGDRM CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593652397 953716399 /nfs/dbraw/zinc/71/63/99/953716399.db2.gz LGJUKBVTVZUICO-NTMALXAHSA-N -1 0 382.376 1.751 20 50 GDGDRM CC[C@H](CNC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)C(=O)[O-] ZINC001589524535 955096329 /nfs/dbraw/zinc/09/63/29/955096329.db2.gz OZNBDXIIEJXXNM-CYBMUJFWSA-N -1 0 384.436 1.884 20 50 GDGDRM O=C([O-])CCCNC(=O)NNC(=O)c1ccc(Br)cc1Cl ZINC000738576726 955250051 /nfs/dbraw/zinc/25/00/51/955250051.db2.gz YIMIFIFYFOWPLN-UHFFFAOYSA-N -1 0 378.610 1.911 20 50 GDGDRM O=C([O-])c1cccc(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 ZINC000821446306 955504836 /nfs/dbraw/zinc/50/48/36/955504836.db2.gz JJOLCHHFZZEZRW-UHFFFAOYSA-N -1 0 381.186 1.620 20 50 GDGDRM O=C([O-])Cc1cccc(NC(=O)NNC(=O)CSc2ccccc2O)c1 ZINC000821538968 955514674 /nfs/dbraw/zinc/51/46/74/955514674.db2.gz YHRKPTJSHMUPOJ-UHFFFAOYSA-N -1 0 375.406 1.964 20 50 GDGDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC001594702861 956821628 /nfs/dbraw/zinc/82/16/28/956821628.db2.gz MFRFRPPERZAJDG-ZJUUUORDSA-N -1 0 382.398 1.271 20 50 GDGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1C ZINC001594023892 957690147 /nfs/dbraw/zinc/69/01/47/957690147.db2.gz JJPYTBLALUZEIW-GQEMFKIVSA-N -1 0 396.447 1.865 20 50 GDGDRM COc1ccc(C)cc1N1C[C@@H](C(=O)NNc2ncccc2C(=O)[O-])CC1=O ZINC001594082465 958276143 /nfs/dbraw/zinc/27/61/43/958276143.db2.gz AEAZIGOIQLOMDL-LBPRGKRZSA-N -1 0 384.392 1.593 20 50 GDGDRM COc1ccc(Cl)c(NC(=O)NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001594096372 958407776 /nfs/dbraw/zinc/40/77/76/958407776.db2.gz BLSNEVKTMFJNHL-GXSJLCMTSA-N -1 0 385.804 1.771 20 50 GDGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)n1 ZINC001588625170 959567649 /nfs/dbraw/zinc/56/76/49/959567649.db2.gz DGIMLFPBOVSURA-UHFFFAOYSA-N -1 0 395.803 1.588 20 50 GDGDRM CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001588678299 960580402 /nfs/dbraw/zinc/58/04/02/960580402.db2.gz AQQPCAOKAAYTQM-UHFFFAOYSA-N -1 0 398.460 1.219 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Br)c2nccn2c1 ZINC001574578923 962094263 /nfs/dbraw/zinc/09/42/63/962094263.db2.gz RAWSGCQUZRNWRM-UHFFFAOYSA-N -1 0 376.170 1.947 20 50 GDGDRM O=C([O-])[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC001574579304 962099167 /nfs/dbraw/zinc/09/91/67/962099167.db2.gz YXQSPFUNHJYOLN-SNVBAGLBSA-N -1 0 375.606 1.974 20 50 GDGDRM CC(C)n1nc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2ccccc2c1=O ZINC001588986629 962755847 /nfs/dbraw/zinc/75/58/47/962755847.db2.gz CLLYGXYRXKZBAO-ZDUSSCGKSA-N -1 0 388.424 1.485 20 50 GDGDRM CSSCCNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000840990526 969216123 /nfs/dbraw/zinc/21/61/23/969216123.db2.gz IPRMSAULTGFZLZ-OLZOCXBDSA-N -1 0 383.495 1.724 20 50 GDGDRM CCOCCCn1c(=O)c2ccccc2nc1NNC(=O)C1(C(=O)[O-])CCC1 ZINC000852948766 969296384 /nfs/dbraw/zinc/29/63/84/969296384.db2.gz KNFSNCATDWOWLX-UHFFFAOYSA-N -1 0 388.424 1.521 20 50 GDGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC001605815456 972543019 /nfs/dbraw/zinc/54/30/19/972543019.db2.gz LEDOLKQFVDVPES-VHSXEESVSA-N -1 0 381.314 1.533 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC001605820756 972547156 /nfs/dbraw/zinc/54/71/56/972547156.db2.gz CHQWXOCHESUSJX-UHFFFAOYSA-N -1 0 399.407 1.930 20 50 GDGDRM Cc1ccc(NC(=O)NNC(=O)c2cccn(CC(=O)[O-])c2=O)c(Cl)c1 ZINC001605294212 973104839 /nfs/dbraw/zinc/10/48/39/973104839.db2.gz RJNXLQBPUAPYOJ-UHFFFAOYSA-N -1 0 378.772 1.361 20 50 GDGDRM CCCn1nc(C(=O)NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc2c1=O ZINC001603701898 974102278 /nfs/dbraw/zinc/10/22/78/974102278.db2.gz XZEYLYLHLWORNJ-HXUWFJFHSA-N -1 0 398.419 1.379 20 50 GDGDRM CC(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)c(C(=O)[O-])c1 ZINC001591962086 976545075 /nfs/dbraw/zinc/54/50/75/976545075.db2.gz AMYGPNVLPANGSO-HZMBPMFUSA-N -1 0 377.397 1.162 20 50 GDGDRM C[C@H](CC(=O)[O-])CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001592391829 977939836 /nfs/dbraw/zinc/93/98/36/977939836.db2.gz SAQIBEPIIARKTM-UWVGGRQHSA-N -1 0 387.230 1.865 20 50 GDGDRM CC(=O)c1[nH]c(CC(=O)NNC(=O)CCCc2ccccc2)c(C(=O)[O-])c1C ZINC000736176625 978307079 /nfs/dbraw/zinc/30/70/79/978307079.db2.gz GSDXEOSTCICRIH-UHFFFAOYSA-N -1 0 385.420 1.937 20 50 GDGDRM CCC(=O)NNC(=O)[C@H](C)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736848899 978361757 /nfs/dbraw/zinc/36/17/57/978361757.db2.gz YVCPNTLBBOLUBJ-BLLLJJGKSA-N -1 0 396.875 1.029 20 50 GDGDRM CCOc1cc(C(=O)NNC(=O)Cc2ccsc2)ccc1OCC(=O)[O-] ZINC000737185624 978385682 /nfs/dbraw/zinc/38/56/82/978385682.db2.gz ZMBYRKQXJJKWIC-UHFFFAOYSA-N -1 0 378.406 1.614 20 50 GDGDRM COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1C ZINC000737749149 978442092 /nfs/dbraw/zinc/44/20/92/978442092.db2.gz XBVLHGQQGKCFBM-RZBIUYHXSA-N 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ZINC000739341726 978630128 /nfs/dbraw/zinc/63/01/28/978630128.db2.gz NKONOBZCQQHGHG-UHFFFAOYSA-N -1 0 391.811 1.990 20 50 GDGDRM O=C([O-])c1cc(OC(=O)Cn2cc(Br)ccc2=O)ccc1[N+](=O)[O-] ZINC000739358992 978632405 /nfs/dbraw/zinc/63/24/05/978632405.db2.gz FUBYMUNUBUPCIA-UHFFFAOYSA-N -1 0 397.137 1.823 20 50 GDGDRM Cn1cnnc1SCc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749811620 978689733 /nfs/dbraw/zinc/68/97/33/978689733.db2.gz DHYIHOCZFSDPDQ-UHFFFAOYSA-N -1 0 384.421 1.898 20 50 GDGDRM Cc1ccc(CN2CCN(CC(=O)NN=Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000814879473 978895476 /nfs/dbraw/zinc/89/54/76/978895476.db2.gz VHLOFOOQVZZQNU-UHFFFAOYSA-N -1 0 394.475 1.961 20 50 GDGDRM O=C([O-])C1(CNC(=O)NNC(=O)c2cc3c(s2)CCCCC3)CCOCC1 ZINC000831067863 979026355 /nfs/dbraw/zinc/02/63/55/979026355.db2.gz HIKXQMIKPMMENZ-UHFFFAOYSA-N -1 0 395.481 1.842 20 50 GDGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)COc2ccccc2O)cc1)C(=O)[O-] ZINC001592873390 979735476 /nfs/dbraw/zinc/73/54/76/979735476.db2.gz UCQZNHFDKSOKQA-GFCCVEGCSA-N 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392.393 1.088 20 50 GDGDRM Cn1nc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c2ccccc2c1=O ZINC000739049836 978614833 /nfs/dbraw/zinc/61/48/33/978614833.db2.gz IBIFCOMSILEMBC-UHFFFAOYSA-N -1 0 383.316 1.688 20 50 GDGDRM N#Cc1ccc(OCC(=O)NNC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739129334 978618388 /nfs/dbraw/zinc/61/83/88/978618388.db2.gz VBGSKHZRXBDQDG-UHFFFAOYSA-N -1 0 397.391 1.600 20 50 GDGDRM O=C([O-])c1cc(OC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000739269349 978625812 /nfs/dbraw/zinc/62/58/12/978625812.db2.gz VPQDMDUGGTZYBY-UHFFFAOYSA-N -1 0 399.315 1.704 20 50 GDGDRM CC(C)(C)OC(=O)N1CCC(NC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000749813903 978690120 /nfs/dbraw/zinc/69/01/20/978690120.db2.gz GPSTXYJCUVVXBX-UHFFFAOYSA-N -1 0 379.417 1.746 20 50 GDGDRM C[C@H]1C(=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC[C@@H]1CC(=O)[O-] ZINC000814746676 978879538 /nfs/dbraw/zinc/87/95/38/978879538.db2.gz LDYUZAARIGXQJK-RKDXNWHRSA-N -1 0 387.845 1.594 20 50 GDGDRM 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O=C([O-])N1CCC[C@@H]1CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000831338677 602818072 /nfs/dbraw/zinc/81/80/72/602818072.db2.gz AVRXJHWGVWIBOS-CYBMUJFWSA-N -1 0 382.442 1.103 20 50 GDGDRM C[C@@H](C(=O)NNC(=O)NCCNC(=O)[O-])c1ccc(Br)s1 ZINC000823702985 602942692 /nfs/dbraw/zinc/94/26/92/602942692.db2.gz MOKOHFXHAWOOGK-ZCFIWIBFSA-N -1 0 379.236 1.212 20 50 GDGDRM O=C([O-])NC[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000832408045 603228796 /nfs/dbraw/zinc/22/87/96/603228796.db2.gz NGTVFSSMJHAOCV-MRXNPFEDSA-N -1 0 380.404 1.909 20 50 GDGDRM COc1cccc(C(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1O ZINC000829537826 603510917 /nfs/dbraw/zinc/51/09/17/603510917.db2.gz WNSQCTGJFFIENQ-IAQYHMDHSA-N -1 0 387.392 1.807 20 50 GDGDRM C[C@H](CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NC(=O)[O-] ZINC000824678270 603563868 /nfs/dbraw/zinc/56/38/68/603563868.db2.gz AUIVECAEOMFIHQ-GFCCVEGCSA-N -1 0 392.437 1.977 20 50 GDGDRM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000832652486 603632161 /nfs/dbraw/zinc/63/21/61/603632161.db2.gz CDGHSCMTTPZVLF-CYBMUJFWSA-N -1 0 384.820 1.799 20 50 GDGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)Cc1nc2ccccc2n1C ZINC000824196131 603668565 /nfs/dbraw/zinc/66/85/65/603668565.db2.gz HGUYXXSLDVJSFX-LBPRGKRZSA-N -1 0 390.444 1.129 20 50 GDGDRM O=C([O-])N[C@H](CNC(=O)NNC(=O)COc1ccccc1F)c1ccccc1 ZINC000832136249 603674521 /nfs/dbraw/zinc/67/45/21/603674521.db2.gz RQYLEFIGGWERRU-CQSZACIVSA-N -1 0 390.371 1.544 20 50 GDGDRM O=C(COCc1ccccc1)NNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831545044 603810290 /nfs/dbraw/zinc/81/02/90/603810290.db2.gz HCTCTKMCPAMRTM-GOOCMWNKSA-N -1 0 376.413 1.207 20 50 GDGDRM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NNc1c(F)cc(F)cc1Br ZINC000831742851 603846416 /nfs/dbraw/zinc/84/64/16/603846416.db2.gz SOJRBCWFENQMFQ-MUWHJKNJSA-N -1 0 380.145 1.284 20 50 GDGDRM COc1ccc(CCC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000829341578 603870004 /nfs/dbraw/zinc/87/00/04/603870004.db2.gz KXMAYHSOKIIXNB-GDBMZVCRSA-N -1 0 392.456 1.785 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(OC)c1 ZINC000829284395 603884168 /nfs/dbraw/zinc/88/41/68/603884168.db2.gz IVFUYZBADTVQEW-YHWZYXNKSA-N -1 0 391.424 1.776 20 50 GDGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000832361689 603934116 /nfs/dbraw/zinc/93/41/16/603934116.db2.gz XJXKVURSMSNPRE-KGLIPLIRSA-N -1 0 378.385 1.962 20 50 GDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNC(=O)Cc1cn3ccccc3n1)C2 ZINC000831562616 603949140 /nfs/dbraw/zinc/94/91/40/603949140.db2.gz PSWWXFQXBDSSKR-LQDVMPOASA-N -1 0 385.424 1.335 20 50 GDGDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1 ZINC000825263085 604163945 /nfs/dbraw/zinc/16/39/45/604163945.db2.gz DZHCZZYCHCORPS-NEPJUHHUSA-N -1 0 382.848 1.469 20 50 GDGDRM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000825617675 604188849 /nfs/dbraw/zinc/18/88/49/604188849.db2.gz RGZCXYTXZZHYSD-GMXVVIOVSA-N -1 0 382.392 1.360 20 50 GDGDRM Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c1 ZINC000830002914 604202737 /nfs/dbraw/zinc/20/27/37/604202737.db2.gz BSYUOHYUUTYCFA-HOCLYGCPSA-N -1 0 392.456 1.839 20 50 GDGDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 ZINC000825263283 604209536 /nfs/dbraw/zinc/20/95/36/604209536.db2.gz GARCELFZZZBVQC-AAEUAGOBSA-N -1 0 382.848 1.469 20 50 GDGDRM Cc1ccc(OCC(=O)NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000830406414 604287224 /nfs/dbraw/zinc/28/72/24/604287224.db2.gz FEQFIJIYORGELT-LSDHHAIUSA-N -1 0 377.441 1.937 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(OC)c1 ZINC000829285933 604342435 /nfs/dbraw/zinc/34/24/35/604342435.db2.gz UWVMZNUUNVMVCN-STQMWFEESA-N -1 0 393.440 1.881 20 50 GDGDRM C[C@@H](NC(=O)[O-])[C@H]1CN(S(=O)(=O)c2ccc(CCCl)cc2)CCO1 ZINC000825360852 604495932 /nfs/dbraw/zinc/49/59/32/604495932.db2.gz QPIAUHCLKNMAJN-BXUZGUMPSA-N -1 0 376.862 1.514 20 50 GDGDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NNC(=O)CCCc2cccs2)CCO1 ZINC000825318998 604551200 /nfs/dbraw/zinc/55/12/00/604551200.db2.gz RAARBRAROYWIDE-YPMHNXCESA-N -1 0 384.458 1.169 20 50 GDGDRM COc1cc(C(=O)NNC(=O)NC2CN(C(=O)[O-])C2)ccc1OCCC(C)C ZINC000831877633 604620444 /nfs/dbraw/zinc/62/04/44/604620444.db2.gz JMHMETZRKCWPPG-UHFFFAOYSA-N -1 0 394.428 1.426 20 50 GDGDRM COc1ccccc1-c1cc(C(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[nH]n1 ZINC000832577311 604709957 /nfs/dbraw/zinc/70/99/57/604709957.db2.gz FSNDUJNNANPMNI-NEPJUHHUSA-N -1 0 386.408 1.737 20 50 GDGDRM CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1cn(CC(=O)[O-])nn1 ZINC000825798191 604782617 /nfs/dbraw/zinc/78/26/17/604782617.db2.gz BTVKAHLQEJLNTH-UHFFFAOYSA-N -1 0 393.403 1.949 20 50 GDGDRM CC(=O)Nc1cncc(C(=O)NN=Cc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000825917556 604787482 /nfs/dbraw/zinc/78/74/82/604787482.db2.gz OKXWTJJNFJSUDK-UHFFFAOYSA-N -1 0 384.392 1.884 20 50 GDGDRM C[C@@H](CC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)C1CCN(C(=O)[O-])CC1 ZINC000824671882 604792900 /nfs/dbraw/zinc/79/29/00/604792900.db2.gz NKJPNBRAEXCCBL-BLLLJJGKSA-N -1 0 375.425 1.554 20 50 GDGDRM COc1ccccc1CC(=O)NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000829619311 604830080 /nfs/dbraw/zinc/83/00/80/604830080.db2.gz NEZGTOYHGZOPGU-ZDUSSCGKSA-N -1 0 377.441 1.801 20 50 GDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000833408307 605041144 /nfs/dbraw/zinc/04/11/44/605041144.db2.gz SKJUEORSEGBEOY-NSHDSACASA-N -1 0 376.800 1.554 20 50 GDGDRM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833443015 605087215 /nfs/dbraw/zinc/08/72/15/605087215.db2.gz TWFAMPMSFJHJAY-UHFFFAOYSA-N -1 0 380.401 1.842 20 50 GDGDRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833689617 605246219 /nfs/dbraw/zinc/24/62/19/605246219.db2.gz LANMLCQTYAOWTF-UHFFFAOYSA-N -1 0 386.817 1.374 20 50 GDGDRM CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)[O-] ZINC000833384108 605325132 /nfs/dbraw/zinc/32/51/32/605325132.db2.gz BYMZOGYYUSSCFE-UHFFFAOYSA-N -1 0 387.348 1.977 20 50 GDGDRM O=C(CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NNC(=O)c1cccs1 ZINC000834007684 605342980 /nfs/dbraw/zinc/34/29/80/605342980.db2.gz ONTAERIAUUPODR-OLZOCXBDSA-N -1 0 380.470 1.506 20 50 GDGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000826720226 605409145 /nfs/dbraw/zinc/40/91/45/605409145.db2.gz HBBWMJMIAGJMCJ-GOSISDBHSA-N -1 0 389.412 1.673 20 50 GDGDRM COc1ccccc1-c1cc(C(=O)NNC(=O)CCCN(C)C(=O)[O-])[nH]n1 ZINC000829581437 605410686 /nfs/dbraw/zinc/41/06/86/605410686.db2.gz RSWXQUSAGZGTRV-UHFFFAOYSA-N -1 0 375.385 1.236 20 50 GDGDRM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000831474134 605412156 /nfs/dbraw/zinc/41/21/56/605412156.db2.gz KIEOQUHDPJVERT-SNVBAGLBSA-N -1 0 393.425 1.058 20 50 GDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000834202917 605445274 /nfs/dbraw/zinc/44/52/74/605445274.db2.gz BNCXRRDPYUTAPV-UHFFFAOYSA-N -1 0 382.398 1.658 20 50 GDGDRM O=C([O-])NCC(=O)NNC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000834201452 605451588 /nfs/dbraw/zinc/45/15/88/605451588.db2.gz HZYIQQOYJWYHPZ-UHFFFAOYSA-N -1 0 381.392 1.042 20 50 GDGDRM COCCN(CCNC(=O)NNC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000833886017 605460725 /nfs/dbraw/zinc/46/07/25/605460725.db2.gz OJYUJRMYXWOYOY-UHFFFAOYSA-N -1 0 393.227 1.564 20 50 GDGDRM O=C([O-])NCCNC(=O)NNC(=O)c1c2c(sc1-n1cccc1)CCC2 ZINC000834243000 605471235 /nfs/dbraw/zinc/47/12/35/605471235.db2.gz DMIOPPNTGRRRCG-UHFFFAOYSA-N -1 0 377.426 1.239 20 50 GDGDRM CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833431237 605482087 /nfs/dbraw/zinc/48/20/87/605482087.db2.gz RHVZVBZJLPPCPL-UHFFFAOYSA-N -1 0 398.419 1.995 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c(OC)c1 ZINC000829284308 605527791 /nfs/dbraw/zinc/52/77/91/605527791.db2.gz HSWIOAUUYLTMKS-QWRGUYRKSA-N -1 0 380.401 1.179 20 50 GDGDRM O=C([O-])N1CCC[C@H](n2cc(C(=O)NNC(=O)Cc3ccccc3F)cn2)C1 ZINC000834013581 605543349 /nfs/dbraw/zinc/54/33/49/605543349.db2.gz QJCVTRMIUAWKFJ-AWEZNQCLSA-N -1 0 389.387 1.341 20 50 GDGDRM O=C([O-])NCCNC(=O)NNC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000834243758 605580628 /nfs/dbraw/zinc/58/06/28/605580628.db2.gz SSLDDLBNHIWMNF-UHFFFAOYSA-N -1 0 381.820 1.673 20 50 GDGDRM O=C([O-])N1CCc2cc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)ccc21 ZINC000834048930 605586476 /nfs/dbraw/zinc/58/64/76/605586476.db2.gz PGUMQXCNVHFUGV-UHFFFAOYSA-N -1 0 385.336 1.717 20 50 GDGDRM O=C([O-])N1CCCC[C@H]1C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000834015774 605739598 /nfs/dbraw/zinc/73/95/98/605739598.db2.gz LBNOUAVAUSFDGH-ZDUSSCGKSA-N -1 0 382.367 1.833 20 50 GDGDRM O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NNC(=O)CNc1ccccc1F ZINC000834007516 605740342 /nfs/dbraw/zinc/74/03/42/605740342.db2.gz UROPWKRFYJTZCL-BLLLJJGKSA-N -1 0 378.404 1.889 20 50 GDGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc21 ZINC000834156977 605741361 /nfs/dbraw/zinc/74/13/61/605741361.db2.gz FHQPHXGPPBTROY-HNNXBMFYSA-N -1 0 377.364 1.509 20 50 GDGDRM O=C([O-])NCCCC(=O)NN=C1C(=O)Nc2c1cc(F)cc2Br ZINC000834229561 605795429 /nfs/dbraw/zinc/79/54/29/605795429.db2.gz NHGMIOUNGWNBEX-UHFFFAOYSA-N -1 0 387.165 1.408 20 50 GDGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000834231485 605814343 /nfs/dbraw/zinc/81/43/43/605814343.db2.gz LTYPPBBYGPGGTJ-UHFFFAOYSA-N -1 0 377.426 1.934 20 50 GDGDRM O=C([O-])N1[C@H](C(=O)NNC(=O)CSc2ccccc2O)C[C@@H]2CCCC[C@@H]21 ZINC000834010967 605907958 /nfs/dbraw/zinc/90/79/58/605907958.db2.gz URDSCXIZNVAPGP-AVGNSLFASA-N -1 0 393.465 1.943 20 50 GDGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(Cl)c(Br)c1 ZINC000834229673 605976491 /nfs/dbraw/zinc/97/64/91/605976491.db2.gz DYUJHWNGEYZQKP-UHFFFAOYSA-N -1 0 378.610 1.911 20 50 GDGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)CSc1ccccc1O ZINC000833829796 606082240 /nfs/dbraw/zinc/08/22/40/606082240.db2.gz KXCNMVOCILERQT-GTNSWQLSSA-N -1 0 381.454 1.848 20 50 GDGDRM COc1ccc(C(F)(F)C(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188696 607894041 /nfs/dbraw/zinc/89/40/41/607894041.db2.gz DGVXGTGLZZSLHL-UHFFFAOYSA-N -1 0 388.334 1.428 20 50 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COC(=O)C1CC2(C1)CN(S(=O)(=O)CC(C)(C)CCl)C[C@@H]2C(=O)[O-] ZINC001574048714 962147801 /nfs/dbraw/zinc/14/78/01/962147801.db2.gz SKGULYCLKBFUER-LOIXOFCESA-N -1 0 381.878 1.167 20 50 GDGDRM O=C([O-])[C@@H](C(=O)NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CC1 ZINC001574615996 962219716 /nfs/dbraw/zinc/21/97/16/962219716.db2.gz CPHBCAXKNQTPKN-GFCCVEGCSA-N -1 0 381.314 1.533 20 50 GDGDRM CO[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC001574104055 962416376 /nfs/dbraw/zinc/41/63/76/962416376.db2.gz DPEQBCUOPQYUBD-CYBMUJFWSA-N -1 0 388.405 1.256 20 50 GDGDRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573422416 964035599 /nfs/dbraw/zinc/03/55/99/964035599.db2.gz RTJWJTBLYUCDMZ-OKPNEXGHSA-N -1 0 379.369 1.148 20 50 GDGDRM CCC(CC)(CNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)[O-] ZINC000818627119 969191282 /nfs/dbraw/zinc/19/12/82/969191282.db2.gz NZYCGVUXNQFUMR-UHFFFAOYSA-N -1 0 397.428 1.547 20 50 GDGDRM O=C([O-])COCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001574729678 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376.182 1.641 20 50 GDGDRM CCC(=O)NNC(=O)[C@@H](C)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736848908 978362176 /nfs/dbraw/zinc/36/21/76/978362176.db2.gz YVCPNTLBBOLUBJ-WBMJQRKESA-N -1 0 396.875 1.029 20 50 GDGDRM CCc1sc(C(=O)NNC(=O)COC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000737291864 978394993 /nfs/dbraw/zinc/39/49/93/978394993.db2.gz IAHFMVZNRRORHS-UHFFFAOYSA-N -1 0 390.417 1.935 20 50 GDGDRM COc1ccc(NC(=S)NNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cn1 ZINC000738038840 978469162 /nfs/dbraw/zinc/46/91/62/978469162.db2.gz IZPCSFJEZXXJHG-UHFFFAOYSA-N -1 0 399.432 1.761 20 50 GDGDRM Cn1cc(C(=O)NNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 ZINC000738404407 978535071 /nfs/dbraw/zinc/53/50/71/978535071.db2.gz CVHAEMLUOZYJFQ-UHFFFAOYSA-N -1 0 382.332 1.860 20 50 GDGDRM O=C([O-])c1cc(OC(=O)CCc2nc(-c3ncccn3)no2)ccc1[N+](=O)[O-] ZINC000739270799 978625956 /nfs/dbraw/zinc/62/59/56/978625956.db2.gz UMVGKRSCVSFHBG-UHFFFAOYSA-N -1 0 385.292 1.671 20 50 GDGDRM O=C([O-])c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)[nH]1 ZINC000749806331 978688916 /nfs/dbraw/zinc/68/89/16/978688916.db2.gz BJLSNKYGYDYURG-UHFFFAOYSA-N -1 0 390.421 1.261 20 50 GDGDRM COc1cc(OC)c(NC(=O)NNC(=O)NCCCCC(=O)[O-])cc1Cl ZINC000832030077 979037416 /nfs/dbraw/zinc/03/74/16/979037416.db2.gz FMOPLIXIEMZVDF-UHFFFAOYSA-N -1 0 388.808 1.948 20 50 GDGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC001594755273 981664727 /nfs/dbraw/zinc/66/47/27/981664727.db2.gz FEANRWSPYXAANA-KRWDZBQOSA-N -1 0 386.404 1.903 20 50 GDGDRM C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC001588407707 983429049 /nfs/dbraw/zinc/42/90/49/983429049.db2.gz NALAYBOKYVCADI-TZMCWYRMSA-N -1 0 376.413 1.500 20 50 GDGDRM Cc1nc(-c2cccnc2)nc(NNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c1C ZINC001599941472 985459913 /nfs/dbraw/zinc/45/99/13/985459913.db2.gz QLKYQRPOOLTRSW-LSDHHAIUSA-N -1 0 385.424 1.868 20 50 GDGDRM CCOc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1OC ZINC001597062484 986557061 /nfs/dbraw/zinc/55/70/61/986557061.db2.gz NKJUVMXKBBLTIB-YPMHNXCESA-N -1 0 379.413 1.681 20 50 GDGDRM C[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001589424564 986693854 /nfs/dbraw/zinc/69/38/54/986693854.db2.gz WYPWDMWVGZXGQZ-JQWIXIFHSA-N -1 0 382.417 1.087 20 50 GDGDRM CCc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1S(N)(=O)=O ZINC001597546678 988252254 /nfs/dbraw/zinc/25/22/54/988252254.db2.gz JHUXHHJXEXCDOG-UHFFFAOYSA-N -1 0 396.400 1.882 20 50 GDGDRM CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)CCc1ccccc1C(=O)[O-] ZINC001589991777 988899734 /nfs/dbraw/zinc/89/97/34/988899734.db2.gz LYIXAVAVSAUGFP-AWEZNQCLSA-N -1 0 391.424 1.474 20 50 GDGDRM CCc1sc(C(=O)NNC(=O)CN2CCCC[C@@]2(COC)C(=O)[O-])cc1C ZINC001597818532 989453992 /nfs/dbraw/zinc/45/39/92/989453992.db2.gz UCVQCCVIQDLUHD-GOSISDBHSA-N -1 0 397.497 1.336 20 50 GDGDRM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001590177635 989517196 /nfs/dbraw/zinc/51/71/96/989517196.db2.gz KMDGQAAKMSOUEH-KBPBESRZSA-N -1 0 379.413 1.758 20 50 GDGDRM CC(C)(C)OC(=O)NOCCCNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590233797 989612699 /nfs/dbraw/zinc/61/26/99/989612699.db2.gz ZWNKKGIPESRYMA-UHFFFAOYSA-N -1 0 386.380 1.996 20 50 GDGDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NNc1ncccc1C(F)(F)F ZINC001590246388 989634447 /nfs/dbraw/zinc/63/44/47/989634447.db2.gz ILNQYYBJLPFJFZ-VIFPVBQESA-N -1 0 392.334 1.912 20 50 GDGDRM CN(C)Cc1cc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)no1 ZINC001598247192 991015170 /nfs/dbraw/zinc/01/51/70/991015170.db2.gz PNCDOQNNAVDOJS-UHFFFAOYSA-N -1 0 383.202 1.954 20 50 GDGDRM CN(C)c1ncc(Br)c(C(=O)NNc2ccc(CC(=O)[O-])cc2)n1 ZINC001598353621 991458855 /nfs/dbraw/zinc/45/88/55/991458855.db2.gz FZNKYNILPQJEOV-UHFFFAOYSA-N -1 0 394.229 1.689 20 50 GDGDRM COc1ccccc1OCC(=O)NNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599716768 991468985 /nfs/dbraw/zinc/46/89/85/991468985.db2.gz KGCUTIJCDMKHEF-UHFFFAOYSA-N -1 0 397.387 1.644 20 50 GDGDRM CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599752631 992010475 /nfs/dbraw/zinc/01/04/75/992010475.db2.gz JHPAVPGJINJUMX-UHFFFAOYSA-N -1 0 395.412 1.895 20 50 GDGDRM CC(C)CCn1nccc1NC(=O)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591277614 992203669 /nfs/dbraw/zinc/20/36/69/992203669.db2.gz YUVFTNYFDCRBFA-UHFFFAOYSA-N -1 0 377.376 1.848 20 50 GDGDRM CN(NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1)C1CC1 ZINC001598542107 992914155 /nfs/dbraw/zinc/91/41/55/992914155.db2.gz WAUUOAJBDFQCNN-GFCCVEGCSA-N -1 0 396.469 1.303 20 50 GDGDRM CNS(=O)(=O)c1ccc(CCC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001598674229 994813389 /nfs/dbraw/zinc/81/33/89/994813389.db2.gz PTRPMDCZVRDZMX-UHFFFAOYSA-N -1 0 395.412 1.508 20 50 GDGDRM CNS(=O)(=O)c1cccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001598675856 994842309 /nfs/dbraw/zinc/84/23/09/994842309.db2.gz NCTJRFVVELRGQY-UHFFFAOYSA-N -1 0 396.400 1.889 20 50 GDGDRM COC(=O)C(C)(C)n1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)n1 ZINC001598686054 995004263 /nfs/dbraw/zinc/00/42/63/995004263.db2.gz QRARPVUTVHDDDO-UHFFFAOYSA-N -1 0 375.385 1.946 20 50 GDGDRM COC(=O)CNC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001598864703 996701914 /nfs/dbraw/zinc/70/19/14/996701914.db2.gz MUWSZTPFCSXNOD-UHFFFAOYSA-N -1 0 386.364 1.436 20 50 GDGDRM COc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1N1CCNC1=O ZINC001599484582 996825360 /nfs/dbraw/zinc/82/53/60/996825360.db2.gz YWDQHQHJDPBICQ-UHFFFAOYSA-N -1 0 388.355 1.819 20 50 GDGDRM COc1cc(NC(=O)NNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(OC)cc1Cl ZINC001599440348 997920579 /nfs/dbraw/zinc/92/05/79/997920579.db2.gz UZTGGTKKQASLER-SECBINFHSA-N -1 0 398.803 1.866 20 50 GDGDRM COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599552722 998036826 /nfs/dbraw/zinc/03/68/26/998036826.db2.gz OKERRNNRFPPYNC-UHFFFAOYSA-N -1 0 385.376 1.112 20 50 GDGDRM COc1cc(OC)c(NC(=O)NNC(=O)CCSCC(=O)[O-])cc1Cl ZINC001599449214 998063060 /nfs/dbraw/zinc/06/30/60/998063060.db2.gz YZBUNGRLLOUDIW-UHFFFAOYSA-N -1 0 391.833 1.718 20 50 GDGDRM COCCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599245232 998129375 /nfs/dbraw/zinc/12/93/75/998129375.db2.gz JDWKYVRWKXSOMP-UHFFFAOYSA-N -1 0 393.421 1.066 20 50 GDGDRM COc1cc(C(=O)NNC(=O)NC2CC(CC(=O)[O-])C2)ccc1OC(C)C ZINC001599355301 998169483 /nfs/dbraw/zinc/16/94/83/998169483.db2.gz MCGWVOHAVTWRQV-UHFFFAOYSA-N -1 0 379.413 1.680 20 50 GDGDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)[C@]1(C)CCCO1 ZINC001599256110 998309021 /nfs/dbraw/zinc/30/90/21/998309021.db2.gz RJOYJBRIMLIADN-KRWDZBQOSA-N -1 0 381.385 1.132 20 50 GDGDRM COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC001599161989 998474179 /nfs/dbraw/zinc/47/41/79/998474179.db2.gz UWRIMEIADCSWGS-AHDNQTFUSA-N -1 0 399.451 1.755 20 50 GDGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC001599375967 998486348 /nfs/dbraw/zinc/48/63/48/998486348.db2.gz JSXSDIPAKBXINN-QGZVFWFLSA-N -1 0 383.404 1.810 20 50 GDGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1cc(Br)ccc1O ZINC000826801221 600781244 /nfs/dbraw/zinc/78/12/44/600781244.db2.gz XUKDEFDEPFNXNV-SNVBAGLBSA-N -1 0 388.218 1.598 20 50 GDGDRM O=C([O-])c1cn(CC(=O)NNC(=O)Cc2cn3ccccc3n2)c2ccccc12 ZINC000833120297 601068290 /nfs/dbraw/zinc/06/82/90/601068290.db2.gz WNJOLXAZOBWSFI-UHFFFAOYSA-N -1 0 391.387 1.377 20 50 GDGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc(Br)ccc2O)C1 ZINC000833149605 601211671 /nfs/dbraw/zinc/21/16/71/601211671.db2.gz WIJLCTXLLGLTRH-DTWKUNHWSA-N -1 0 385.214 1.807 20 50 GDGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC000831651212 601671123 /nfs/dbraw/zinc/67/11/23/601671123.db2.gz TUEKICCVSFRIPJ-KFPICYLRSA-N -1 0 389.452 1.921 20 50 GDGDRM C[C@H](C(=O)NNC(=O)NCCNC(=O)[O-])c1ccc(Br)s1 ZINC000823702983 602942784 /nfs/dbraw/zinc/94/27/84/602942784.db2.gz MOKOHFXHAWOOGK-LURJTMIESA-N -1 0 379.236 1.212 20 50 GDGDRM C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000824816679 602952345 /nfs/dbraw/zinc/95/23/45/602952345.db2.gz LFPWYCHZOVWOEL-LBPRGKRZSA-N -1 0 380.420 1.867 20 50 GDGDRM Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1NC(=O)[O-] ZINC000830225603 603231774 /nfs/dbraw/zinc/23/17/74/603231774.db2.gz RHZAZMSLWLTQOU-UHFFFAOYSA-N -1 0 381.352 1.135 20 50 GDGDRM Cc1cccc(NC(=S)NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1C ZINC000830522255 603448557 /nfs/dbraw/zinc/44/85/57/603448557.db2.gz PLIGBJLANRVQNJ-ZDUSSCGKSA-N -1 0 380.470 1.780 20 50 GDGDRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000825638301 603491950 /nfs/dbraw/zinc/49/19/50/603491950.db2.gz MDOVDTDQGJHOAQ-SGTLLEGYSA-N -1 0 378.429 1.014 20 50 GDGDRM CC(C)n1nc(C(=O)NNC(=O)C(C)(C)CNC(=O)[O-])c2ccccc2c1=O ZINC000824528390 603614804 /nfs/dbraw/zinc/61/48/04/603614804.db2.gz LEAFOWCFHSBFHI-UHFFFAOYSA-N -1 0 389.412 1.032 20 50 GDGDRM Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000830793851 603672134 /nfs/dbraw/zinc/67/21/34/603672134.db2.gz WWZHWERQRIBXPL-QWHCGFSZSA-N -1 0 388.428 1.413 20 50 GDGDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc(Br)c[nH]1 ZINC000832475455 603674623 /nfs/dbraw/zinc/67/46/23/603674623.db2.gz NERLDJGORSEBPK-VXNVDRBHSA-N -1 0 388.222 1.158 20 50 GDGDRM COc1cc(OC)c(NC(=O)NNC(=O)NCCCNC(=O)[O-])cc1Cl ZINC000829203437 603753263 /nfs/dbraw/zinc/75/32/63/603753263.db2.gz DGTFIIUJENMNJU-UHFFFAOYSA-N -1 0 389.796 1.351 20 50 GDGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1ccc(C(N)=O)nn1 ZINC000829188530 603801967 /nfs/dbraw/zinc/80/19/67/603801967.db2.gz WDXWOVKCOAVTRI-UHFFFAOYSA-N -1 0 380.748 1.084 20 50 GDGDRM N#Cc1ccc(OCC(=O)NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831142221 603967731 /nfs/dbraw/zinc/96/77/31/603967731.db2.gz UDXWLFHNDLWZIA-GOOCMWNKSA-N -1 0 386.408 1.396 20 50 GDGDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc32)C1 ZINC000825228038 604275799 /nfs/dbraw/zinc/27/57/99/604275799.db2.gz HROFVCAMLFCEAF-TZMCWYRMSA-N -1 0 385.424 1.957 20 50 GDGDRM C[C@H](CC(=O)NNC(=O)COc1ccccc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671812 604284372 /nfs/dbraw/zinc/28/43/72/604284372.db2.gz MIGFEEZBKKARML-CHWSQXEVSA-N -1 0 381.404 1.768 20 50 GDGDRM COc1cc(F)cc(NNC(=O)c2nnn(C3CCN(C(=O)[O-])CC3)c2C)c1 ZINC000829141607 604316017 /nfs/dbraw/zinc/31/60/17/604316017.db2.gz FQBFRRGDRPDYPD-UHFFFAOYSA-N -1 0 392.391 1.806 20 50 GDGDRM C[C@H](CC(=O)NNc1nc2ccccc2c(=O)n1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678565 604354728 /nfs/dbraw/zinc/35/47/28/604354728.db2.gz BYFLGILNCLTPSV-OLZOCXBDSA-N -1 0 387.440 1.793 20 50 GDGDRM C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@H]3CN(C(=O)[O-])CCO3)cc2C1 ZINC000825956701 604650557 /nfs/dbraw/zinc/65/05/57/604650557.db2.gz ZUJVCVMSAAQMCN-JQWIXIFHSA-N -1 0 381.454 1.403 20 50 GDGDRM CCc1[nH]c(C(=O)NNC(=O)CN2CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC000830197422 604748590 /nfs/dbraw/zinc/74/85/90/604748590.db2.gz UPNAQKMDOPFHNX-UHFFFAOYSA-N -1 0 384.436 1.798 20 50 GDGDRM O=C([O-])NC1(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)CC1 ZINC000832185584 604761800 /nfs/dbraw/zinc/76/18/00/604761800.db2.gz GAURKSYJMGOGHL-UHFFFAOYSA-N -1 0 381.388 1.899 20 50 GDGDRM CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1cn(CC(=O)[O-])nn1 ZINC000825798712 604784112 /nfs/dbraw/zinc/78/41/12/604784112.db2.gz UFIOGXHMDITECQ-JTQLQIEISA-N -1 0 387.425 1.313 20 50 GDGDRM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1 ZINC000833435995 604806755 /nfs/dbraw/zinc/80/67/55/604806755.db2.gz ANRADESLBCNSEH-ZDUSSCGKSA-N -1 0 394.428 1.639 20 50 GDGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCC(=O)NNC(=O)Cc1ccccc1C ZINC000832977534 604843065 /nfs/dbraw/zinc/84/30/65/604843065.db2.gz MKYMUGTVDSYUSQ-UHFFFAOYSA-N -1 0 387.392 1.185 20 50 GDGDRM C[C@H](CC(=O)NNC(=O)Cc1cn2ccccc2n1)C1CCN(C(=O)[O-])CC1 ZINC000824671650 604883493 /nfs/dbraw/zinc/88/34/93/604883493.db2.gz JEONJDMJGIOOGC-CYBMUJFWSA-N -1 0 387.440 1.440 20 50 GDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000833407601 605038584 /nfs/dbraw/zinc/03/85/84/605038584.db2.gz TWUPAPUYBCKQQU-VIFPVBQESA-N -1 0 398.828 1.198 20 50 GDGDRM CC(C)(C)n1ncc2c1nc(NNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)[nH]c2=O 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ZINC000735939832 944721462 /nfs/dbraw/zinc/72/14/62/944721462.db2.gz UMPWOYTYFNOCKQ-UHFFFAOYSA-N -1 0 396.411 1.401 20 50 GDGDRM Cn1cc(Br)cc1C(=O)N[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822665679 946149443 /nfs/dbraw/zinc/14/94/43/946149443.db2.gz VXQUPOWOOBRJTH-UHFFFAOYSA-N -1 0 396.230 1.104 20 50 GDGDRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000823036936 946287418 /nfs/dbraw/zinc/28/74/18/946287418.db2.gz NFPGTBAHKMZJJC-UHFFFAOYSA-N -1 0 385.331 1.864 20 50 GDGDRM O=C([N-]NC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823276976 946390212 /nfs/dbraw/zinc/39/02/12/946390212.db2.gz ANINJWNPBAGYPH-UHFFFAOYSA-N -1 0 380.336 1.604 20 50 GDGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(Br)c2)CO1 ZINC001595006152 951201098 /nfs/dbraw/zinc/20/10/98/951201098.db2.gz RCARFYQSXHSRNG-ZYHUDNBSSA-N -1 0 385.214 1.480 20 50 GDGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CO1 ZINC001595007160 951217455 /nfs/dbraw/zinc/21/74/55/951217455.db2.gz YYAXAVYXKKWJKC-AAEUAGOBSA-N -1 0 390.371 1.247 20 50 GDGDRM CCOc1ccccc1[C@H](CC(=O)NNc1ncccc1C(=O)[O-])NC(C)=O ZINC001593043400 951390574 /nfs/dbraw/zinc/39/05/74/951390574.db2.gz WUGMPPLOGQZPMZ-HNNXBMFYSA-N -1 0 386.408 1.889 20 50 GDGDRM O=C([O-])CN1CCC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1=O ZINC001595082696 951701179 /nfs/dbraw/zinc/70/11/79/951701179.db2.gz KRMZNYHLHSGTAZ-LBPRGKRZSA-N -1 0 389.330 1.394 20 50 GDGDRM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818065591 955386014 /nfs/dbraw/zinc/38/60/14/955386014.db2.gz HCEHGHMCQJRETF-LLVKDONJSA-N -1 0 375.356 1.822 20 50 GDGDRM O=C([O-])c1ccc(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000819159563 955435861 /nfs/dbraw/zinc/43/58/61/955435861.db2.gz GGGANZDRBAGOEK-UHFFFAOYSA-N -1 0 388.336 1.202 20 50 GDGDRM COc1ccc(Br)c(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820814558 955478536 /nfs/dbraw/zinc/47/85/36/955478536.db2.gz CBWKPKZFIFHJDB-AWEZNQCLSA-N -1 0 384.186 1.223 20 50 GDGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000846712461 955720454 /nfs/dbraw/zinc/72/04/54/955720454.db2.gz SMJBFAYZWWTOLL-MFKMUULPSA-N -1 0 389.290 1.720 20 50 GDGDRM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001603059524 972126312 /nfs/dbraw/zinc/12/63/12/972126312.db2.gz IYAHAOMKEVYVOT-UHFFFAOYSA-N -1 0 392.437 1.566 20 50 GDGDRM CC(C)(C)n1ncc2c1nc(NNC(=O)[C@@H](C(=O)[O-])C1CCCC1)[nH]c2=O ZINC000852947732 955865426 /nfs/dbraw/zinc/86/54/26/955865426.db2.gz RQOQDNVEEQWRPL-NSHDSACASA-N -1 0 376.417 1.621 20 50 GDGDRM O=C([O-])[C@@H]1CC(C(=O)NNC(=O)CCCc2ccccc2)=NN1c1ccccc1 ZINC001594684996 956706340 /nfs/dbraw/zinc/70/63/40/956706340.db2.gz BIXIHNQAYFOSIC-SFHVURJKSA-N -1 0 394.431 1.876 20 50 GDGDRM COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccc(CCCCl)cc2)CCO1 ZINC001593985494 956769591 /nfs/dbraw/zinc/76/95/91/956769591.db2.gz QXOJWQIEUOXGMK-INIZCTEOSA-N -1 0 391.873 1.349 20 50 GDGDRM COCCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C ZINC001593997577 956907501 /nfs/dbraw/zinc/90/75/01/956907501.db2.gz TWWNTPWGAOODMC-KDVQLTRESA-N -1 0 377.441 1.779 20 50 GDGDRM C[C@](CNC(=O)NNc1cccc(S(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 ZINC001603183942 972285130 /nfs/dbraw/zinc/28/51/30/972285130.db2.gz IMVYNMFCNVUGMZ-GOSISDBHSA-N -1 0 391.449 1.759 20 50 GDGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc32)c1 ZINC001594288466 957797190 /nfs/dbraw/zinc/79/71/90/957797190.db2.gz RBOYCKTTZDMQRD-UHFFFAOYSA-N -1 0 380.360 1.015 20 50 GDGDRM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594327949 958188155 /nfs/dbraw/zinc/18/81/55/958188155.db2.gz GDPHWWGINAFTEP-OAHLLOKOSA-N -1 0 399.407 1.846 20 50 GDGDRM COc1cccc(S(C)(=O)=O)c1NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001594135779 958705236 /nfs/dbraw/zinc/70/52/36/958705236.db2.gz UIHZVCWJMWKEGF-UHFFFAOYSA-N -1 0 378.406 1.483 20 50 GDGDRM C[C@H](C(=O)NNc1ncccc1C(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC001588557612 959072334 /nfs/dbraw/zinc/07/23/34/959072334.db2.gz WGNJKIKGCOCZJF-CYBMUJFWSA-N -1 0 387.415 1.573 20 50 GDGDRM CC(C)C[C@@H](CNC(=O)NNC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC001573511067 959095926 /nfs/dbraw/zinc/09/59/26/959095926.db2.gz PSBWJOIWVWBPPL-VIFPVBQESA-N -1 0 389.250 1.479 20 50 GDGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CCOCC2)cc1 ZINC001573518188 959117109 /nfs/dbraw/zinc/11/71/09/959117109.db2.gz RCVVMEJOOAWTKZ-UHFFFAOYSA-N -1 0 378.425 1.754 20 50 GDGDRM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NN=c2[nH]cccc2C(=O)[O-])CO1 ZINC001588667713 960467152 /nfs/dbraw/zinc/46/71/52/960467152.db2.gz DEQSTLACUSEHHA-NWDGAFQWSA-N -1 0 379.413 1.750 20 50 GDGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1C ZINC001574397196 961214651 /nfs/dbraw/zinc/21/46/51/961214651.db2.gz JWVVNSABIMWANF-ILXRZTDVSA-N -1 0 378.425 1.488 20 50 GDGDRM O=C([O-])CN1CCC[C@H](C(=O)NNc2cc(Cl)nc3ncccc23)C1=O ZINC001574719790 962755778 /nfs/dbraw/zinc/75/57/78/962755778.db2.gz NSPNPRPXKMICPP-SNVBAGLBSA-N -1 0 377.788 1.050 20 50 GDGDRM 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973678384 /nfs/dbraw/zinc/67/83/84/973678384.db2.gz PLLYKKBFDUXCAR-UHFFFAOYSA-N -1 0 393.193 1.987 20 50 GDGDRM N#CCCn1cc(/C=C(\C#N)C(=O)N2CC(C(=O)[O-])C2)c(-c2ccccc2)n1 ZINC001605585404 973876457 /nfs/dbraw/zinc/87/64/57/973876457.db2.gz AWRNQMFPOMBDDM-OQLLNIDSSA-N -1 0 375.388 1.914 20 50 GDGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])c1C ZINC001603698937 974095964 /nfs/dbraw/zinc/09/59/64/974095964.db2.gz RHHSMCDQXLXALL-IZNAZMGOSA-N -1 0 375.425 1.945 20 50 GDGDRM O=C([O-])[C@@H](C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001605711009 974144724 /nfs/dbraw/zinc/14/47/24/974144724.db2.gz JQGPDPQBAUEPRZ-CQSZACIVSA-N -1 0 381.410 1.725 20 50 GDGDRM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001603869266 974370927 /nfs/dbraw/zinc/37/09/27/974370927.db2.gz JKSPOICPGUSBGR-LLVKDONJSA-N -1 0 388.380 1.799 20 50 GDGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cc2C1 ZINC000736804486 978356522 /nfs/dbraw/zinc/35/65/22/978356522.db2.gz 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991958161 /nfs/dbraw/zinc/95/81/61/991958161.db2.gz JSRLRKKBSSBWFK-CYBMUJFWSA-N -1 0 380.397 1.795 20 50 GDGDRM CC(C)CCn1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2F)n1 ZINC001591274409 992193913 /nfs/dbraw/zinc/19/39/13/992193913.db2.gz MQWXANNHLPVCAV-UHFFFAOYSA-N -1 0 377.376 1.848 20 50 GDGDRM CC(C)N1CC[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C1=O ZINC001591617047 992875911 /nfs/dbraw/zinc/87/59/11/992875911.db2.gz URQVUHPKWKORON-NSHDSACASA-N -1 0 399.245 1.783 20 50 GDGDRM C[C@@H](NC(=O)NNC(=O)COc1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC001593102504 993744540 /nfs/dbraw/zinc/74/45/40/993744540.db2.gz UODWBJJFNQBWLD-MRVPVSSYSA-N -1 0 382.373 1.451 20 50 GDGDRM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001598611630 993785069 /nfs/dbraw/zinc/78/50/69/993785069.db2.gz LTOMUGJRNIQRPS-CQSZACIVSA-N -1 0 378.429 1.379 20 50 GDGDRM C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NNc1ccccc1C(=O)[O-] ZINC001593389830 995118864 /nfs/dbraw/zinc/11/88/64/995118864.db2.gz HPGYKMCFWLIAML-OAQYLSRUSA-N -1 0 397.431 1.903 20 50 GDGDRM C[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)C[C@@H]1Br ZINC001593762104 996427366 /nfs/dbraw/zinc/42/73/66/996427366.db2.gz XRIRTELJTMGLSP-GWCFXTLKSA-N -1 0 391.243 1.162 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(OC)c1 ZINC001599484563 996825285 /nfs/dbraw/zinc/82/52/85/996825285.db2.gz YESFZJAVKDCXCG-UHFFFAOYSA-N -1 0 391.355 1.937 20 50 GDGDRM COC(=O)NNC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC001598884046 996859022 /nfs/dbraw/zinc/85/90/22/996859022.db2.gz GCWUFENCNCNHON-UHFFFAOYSA-N -1 0 379.110 1.382 20 50 GDGDRM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@@]1(C)C[C@H]1Br ZINC001599385029 996928317 /nfs/dbraw/zinc/92/83/17/996928317.db2.gz JSPFOWMUERKVLT-LDYMZIIASA-N -1 0 384.273 1.907 20 50 GDGDRM COC(=O)c1cc(NC(=O)NNC(=O)Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001598947113 998077790 /nfs/dbraw/zinc/07/77/90/998077790.db2.gz XGUKJFRYOJEDNT-UHFFFAOYSA-N -1 0 389.339 1.706 20 50 GDGDRM COc1ccc(CNC(=O)NNc2cccc(S(C)(=O)=O)c2)cc1C(=O)[O-] ZINC001599567681 998314316 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RKZUWIWIBYJTFC-UHFFFAOYSA-N -1 0 380.401 1.249 20 50 GDGDRM CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000823859328 605247975 /nfs/dbraw/zinc/24/79/75/605247975.db2.gz LYICUWKGHILBMM-ZDUSSCGKSA-N -1 0 377.441 1.900 20 50 GDGDRM Cn1cc(C(=O)NNC(=O)NCC2(C)CCN(C(=O)[O-])CC2)c2ccccc21 ZINC000833943645 605353159 /nfs/dbraw/zinc/35/31/59/605353159.db2.gz OMKFATYYLZNECT-UHFFFAOYSA-N -1 0 387.440 1.902 20 50 GDGDRM Cn1cc(Br)cc1C(=O)NNC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833944895 605393901 /nfs/dbraw/zinc/39/39/01/605393901.db2.gz JSHFXJVMIVMFFR-SECBINFHSA-N -1 0 387.234 1.329 20 50 GDGDRM O=C([O-])NCC(=O)NNC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000834203097 605452591 /nfs/dbraw/zinc/45/25/91/605452591.db2.gz HWUOISUSKWCQSJ-UHFFFAOYSA-N -1 0 384.108 1.497 20 50 GDGDRM CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)CNC(=O)c1cccnc1 ZINC000824759839 605477983 /nfs/dbraw/zinc/47/79/83/605477983.db2.gz QDVVMKBOZQPXIQ-OAHLLOKOSA-N -1 0 375.429 1.616 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)[O-])c2ccccc2)cc1OC ZINC000829284974 605565355 /nfs/dbraw/zinc/56/53/55/605565355.db2.gz PVKVIMGXXHAWKC-AWEZNQCLSA-N -1 0 387.392 1.864 20 50 GDGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000832105702 605567495 /nfs/dbraw/zinc/56/74/95/605567495.db2.gz PHQKWXXYLXQKQY-CJNGLKHVSA-N -1 0 385.376 1.373 20 50 GDGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC000834125318 605601140 /nfs/dbraw/zinc/60/11/40/605601140.db2.gz CXXPGQINNKLTQZ-LBPRGKRZSA-N -1 0 390.421 1.024 20 50 GDGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc21 ZINC000834158567 605739489 /nfs/dbraw/zinc/73/94/89/605739489.db2.gz TZKSRJNJETYIKU-OAHLLOKOSA-N -1 0 391.391 1.573 20 50 GDGDRM CCOc1ccc(C(=O)NNC(=O)[C@@]2(CC)CCCN2C(=O)[O-])cc1OC ZINC000833861790 605756685 /nfs/dbraw/zinc/75/66/85/605756685.db2.gz CVDMFIRWVUOFHA-GOSISDBHSA-N -1 0 379.413 1.778 20 50 GDGDRM O=C([O-])N1CC(CNC(=O)NNC(=O)c2ccc(F)cc2Br)C1 ZINC000834035121 605773590 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O=C([O-])NCCCC(=O)NNC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000834231583 605998123 /nfs/dbraw/zinc/99/81/23/605998123.db2.gz MRZNHJSUVYYOMO-GFCCVEGCSA-N -1 0 384.820 1.932 20 50 GDGDRM Cn1c(CC(=O)NNC(=O)[C@H]2CCCC[C@]2(C)NC(=O)[O-])nc2ccccc21 ZINC000833942326 606000202 /nfs/dbraw/zinc/00/02/02/606000202.db2.gz YBKDVIIRBBLNKQ-BLVKFPJESA-N -1 0 387.440 1.480 20 50 GDGDRM O=C([O-])Nc1cnc(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)cn1 ZINC000834277155 606069646 /nfs/dbraw/zinc/06/96/46/606069646.db2.gz HJBZTSQTFWZVFH-UHFFFAOYSA-N -1 0 392.379 1.664 20 50 GDGDRM Cc1ccc([C@@H](C)[C@H](O)C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC000826283524 608197137 /nfs/dbraw/zinc/19/71/37/608197137.db2.gz STPOLINRSCHVLU-RISCZKNCSA-N -1 0 385.428 1.894 20 50 GDGDRM O=C(CNC(=O)CC1CCCCC1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826404247 608572201 /nfs/dbraw/zinc/57/22/01/608572201.db2.gz UILMYUKWCLUDJU-UHFFFAOYSA-N -1 0 392.851 1.445 20 50 GDGDRM O=C(Cc1csc2nccn12)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826424077 608573800 /nfs/dbraw/zinc/57/38/00/608573800.db2.gz UYRYGOJLLOIUJB-UHFFFAOYSA-N -1 0 375.805 1.310 20 50 GDGDRM O=C(CCc1nc2ccccc2[nH]1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826408949 608579177 /nfs/dbraw/zinc/57/91/77/608579177.db2.gz BDZKBBSPPIRDSB-UHFFFAOYSA-N -1 0 383.803 1.867 20 50 GDGDRM O=C(CCOc1cccc(F)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826408213 608625537 /nfs/dbraw/zinc/62/55/37/608625537.db2.gz VIOMKPIIHTWSLP-UHFFFAOYSA-N -1 0 377.767 1.966 20 50 GDGDRM Cc1ncsc1C(=O)[N-]NC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737501275 945085075 /nfs/dbraw/zinc/08/50/75/945085075.db2.gz UEHAZGCGOOCEOC-UHFFFAOYSA-N -1 0 394.873 1.916 20 50 GDGDRM O=C(CCSc1ccc(F)cc1)N[N-]C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737849272 945138824 /nfs/dbraw/zinc/13/88/24/945138824.db2.gz BHQBVIYXEDQDIR-UHFFFAOYSA-N -1 0 387.400 1.344 20 50 GDGDRM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000737918513 945151749 /nfs/dbraw/zinc/15/17/49/945151749.db2.gz INFPQQARHNCLMU-UHFFFAOYSA-N -1 0 396.338 1.592 20 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/nfs/dbraw/zinc/95/00/55/944950055.db2.gz JXHTWSNGNPQIQL-UHFFFAOYSA-N -1 0 396.363 1.103 20 50 GDGDRM Cc1ccc(-c2ocnc2C(=O)[N-]NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737303502 945035330 /nfs/dbraw/zinc/03/53/30/945035330.db2.gz MMCRLJQDYPEQLM-UHFFFAOYSA-N -1 0 389.375 1.905 20 50 GDGDRM O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823037511 946289239 /nfs/dbraw/zinc/28/92/39/946289239.db2.gz YKTGFQHXVCMMGT-UHFFFAOYSA-N -1 0 383.324 1.010 20 50 GDGDRM O=C([N-]NC(=O)c1cccc2ncccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823276948 946391635 /nfs/dbraw/zinc/39/16/35/946391635.db2.gz AACVNMRVUYZNLT-UHFFFAOYSA-N -1 0 395.329 1.768 20 50 GDGDRM CCOCc1nc(C)cc(NNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001591987714 951261253 /nfs/dbraw/zinc/26/12/53/951261253.db2.gz SLSUPRMFDRKUSG-XYEKJYRLSA-N -1 0 393.444 1.360 20 50 GDGDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNC(=O)c1cccc3ncccc31)O2 ZINC001594748410 953400700 /nfs/dbraw/zinc/40/07/00/953400700.db2.gz JASBHCKZWGATMS-BTTAGBNVSA-N 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393.411 1.980 20 50 GDGDRM Cc1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)c1C ZINC000822328966 946055466 /nfs/dbraw/zinc/05/54/66/946055466.db2.gz WHGXVFWLVHKWJQ-LLVKDONJSA-N -1 0 386.437 1.774 20 50 GDGDRM O=C(CN1Cc2ccccc2C1=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826411741 948249276 /nfs/dbraw/zinc/24/92/76/948249276.db2.gz KXLIHAUMIQRRIX-UHFFFAOYSA-N -1 0 384.787 1.014 20 50 GDGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(Cn2cccn2)o1 ZINC000826445649 948310764 /nfs/dbraw/zinc/31/07/64/948310764.db2.gz DFDFGPMQQOCRQC-UHFFFAOYSA-N -1 0 385.775 1.510 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Br)cn2ncnc12 ZINC001595261458 949670185 /nfs/dbraw/zinc/67/01/85/949670185.db2.gz BCYBDSCGJLHPSD-UHFFFAOYSA-N -1 0 377.158 1.342 20 50 GDGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CO1 ZINC001595007161 951217626 /nfs/dbraw/zinc/21/76/26/951217626.db2.gz YYAXAVYXKKWJKC-DGCLKSJQSA-N -1 0 390.371 1.247 20 50 GDGDRM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001592705488 951359912 /nfs/dbraw/zinc/35/99/12/951359912.db2.gz QUJDQFDYUXALIY-NSHDSACASA-N -1 0 388.380 1.799 20 50 GDGDRM CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NNc2ncccc2C(=O)[O-])C1 ZINC001602902835 971828778 /nfs/dbraw/zinc/82/87/78/971828778.db2.gz JJGPDDHNICNBKE-VOJFVSQTSA-N -1 0 394.428 1.685 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC001594781819 953637007 /nfs/dbraw/zinc/63/70/07/953637007.db2.gz IWHPVXCLKLJDCJ-UHFFFAOYSA-N -1 0 383.364 1.577 20 50 GDGDRM O=C([O-])[C@]1(C(=O)NNC(=S)Nc2cccc(Br)c2)CCCO1 ZINC001594864422 954309323 /nfs/dbraw/zinc/30/93/23/954309323.db2.gz BAAWTHQOAGGKQC-CYBMUJFWSA-N -1 0 388.243 1.401 20 50 GDGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)n1C[C@H]1CCCO1 ZINC000738231936 955236678 /nfs/dbraw/zinc/23/66/78/955236678.db2.gz WLHCREJLUANOET-ZKLTYMAFSA-N -1 0 387.436 1.503 20 50 GDGDRM O=C([O-])COc1cccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000739825978 955256269 /nfs/dbraw/zinc/25/62/69/955256269.db2.gz QNCMQWXQBLLHLW-UHFFFAOYSA-N -1 0 380.360 1.411 20 50 GDGDRM N#Cc1ccc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cc1 ZINC000740314358 955258392 /nfs/dbraw/zinc/25/83/92/955258392.db2.gz VGFUQKOCWLZKIH-MRXNPFEDSA-N -1 0 377.360 1.039 20 50 GDGDRM N#Cc1cc(Cl)nc(NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC000821329763 955498654 /nfs/dbraw/zinc/49/86/54/955498654.db2.gz LAAGUDXKSPWZHO-CYBMUJFWSA-N -1 0 384.783 1.769 20 50 GDGDRM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000848587374 955757214 /nfs/dbraw/zinc/75/72/14/955757214.db2.gz GJOQYXHSFJGQJR-SWLSCSKDSA-N -1 0 381.429 1.540 20 50 GDGDRM O=C([O-])[C@H]1CC(C(=O)NNC(=O)CCCc2ccccc2)=NN1c1ccccc1 ZINC001594684995 956705963 /nfs/dbraw/zinc/70/59/63/956705963.db2.gz BIXIHNQAYFOSIC-GOSISDBHSA-N -1 0 394.431 1.876 20 50 GDGDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNC(=O)CCOc1ccccc1)O2 ZINC001594688118 956725248 /nfs/dbraw/zinc/72/52/48/956725248.db2.gz HKNOPJSGKALOOD-BTUGKURYSA-N -1 0 391.424 1.198 20 50 GDGDRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](Br)C(C)(C)C)C[C@@H]2C(=O)[O-] ZINC000902745607 956790146 /nfs/dbraw/zinc/79/01/46/956790146.db2.gz RLLNCLSFLCCEIQ-BRIPAJLNSA-N -1 0 390.274 1.908 20 50 GDGDRM CS(=O)(=O)c1ccc(OCCC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001594174504 959030478 /nfs/dbraw/zinc/03/04/78/959030478.db2.gz PKLHXIFECKACJV-UHFFFAOYSA-N -1 0 379.394 1.096 20 50 GDGDRM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NNc1ncccc1C(=O)[O-] ZINC001594445935 959327158 /nfs/dbraw/zinc/32/71/58/959327158.db2.gz KHPJYHVTMHBJMF-UHFFFAOYSA-N -1 0 380.364 1.332 20 50 GDGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNC(=O)CCOc2ccccc2)n1 ZINC001588625959 959577849 /nfs/dbraw/zinc/57/78/49/959577849.db2.gz LEWSBWZXNYNWMJ-UHFFFAOYSA-N -1 0 375.385 1.325 20 50 GDGDRM O=C([O-])c1ccccc1CC(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001574535109 961918783 /nfs/dbraw/zinc/91/87/83/961918783.db2.gz UHQDUABKZIMVSF-UHFFFAOYSA-N -1 0 389.389 1.775 20 50 GDGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC001574578468 962089305 /nfs/dbraw/zinc/08/93/05/962089305.db2.gz HZIFSBQWKKGRPE-UHFFFAOYSA-N -1 0 391.409 1.369 20 50 GDGDRM CC(C)NS(=O)(=O)c1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001588927586 962432729 /nfs/dbraw/zinc/43/27/29/962432729.db2.gz XLCBMKZZZXRQGV-UHFFFAOYSA-N -1 0 378.410 1.223 20 50 GDGDRM C[C@H](CNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000848588502 969266658 /nfs/dbraw/zinc/26/66/58/969266658.db2.gz UKXISGTUVUKWRZ-CQSZACIVSA-N -1 0 385.420 1.707 20 50 GDGDRM C[C@H](NC(=O)NNC(=O)COc1ccccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848596388 969270014 /nfs/dbraw/zinc/27/00/14/969270014.db2.gz SFPYUXWJJITJOJ-SDDRHHMPSA-N -1 0 381.404 1.670 20 50 GDGDRM Cc1nc(-c2ccccn2)nc(NNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1C ZINC001605064072 972679798 /nfs/dbraw/zinc/67/97/98/972679798.db2.gz AJWGNSWRQFGGTQ-ZIAGYGMSSA-N -1 0 385.424 1.868 20 50 GDGDRM CO[C@@H](C(=O)[O-])C(=O)NNc1c(Br)cccc1Br ZINC001604433562 973227218 /nfs/dbraw/zinc/22/72/18/973227218.db2.gz FDNMPXAATMGJHJ-MRVPVSSYSA-N -1 0 382.008 1.754 20 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998076363 /nfs/dbraw/zinc/07/63/63/998076363.db2.gz SKFMDLROEBWVES-UHFFFAOYSA-N -1 0 387.348 1.647 20 50 GDGDRM COc1cc(C(=O)NNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001599355140 998165835 /nfs/dbraw/zinc/16/58/35/998165835.db2.gz GPIGYIHDRGKYRQ-SNAWJCMRSA-N -1 0 390.348 1.478 20 50 GDGDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)NN=c1cc[nH]c2cccnc21 ZINC001599256317 998313144 /nfs/dbraw/zinc/31/31/44/998313144.db2.gz PIPIZCWLZLNOGV-UHFFFAOYSA-N -1 0 397.391 1.924 20 50 GDGDRM CC1CCC(NS(=O)(=O)CC(=O)NNc2cccc(F)c2C(=O)[O-])CC1 ZINC001594320275 999230545 /nfs/dbraw/zinc/23/05/45/999230545.db2.gz JRROUUDNWOYYKP-UHFFFAOYSA-N -1 0 387.433 1.465 20 50 GDGDRM Cc1cccc(C(=O)NNC(=O)CSc2[nH]c(=O)nc(C)c2C(=O)[O-])c1 ZINC000832963513 600835510 /nfs/dbraw/zinc/83/55/10/600835510.db2.gz VPIWQSAZHMSDLL-UHFFFAOYSA-N -1 0 376.394 1.051 20 50 GDGDRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1=O ZINC000833149207 601155715 /nfs/dbraw/zinc/15/57/15/601155715.db2.gz IHWKYZSAMNXFOO-GFCCVEGCSA-N -1 0 388.405 1.196 20 50 GDGDRM CCOc1cc(C(=O)NNC(=S)N[C@@H](C)C2CC2)ccc1OCC(=O)[O-] ZINC000830037680 601343322 /nfs/dbraw/zinc/34/33/22/601343322.db2.gz HELZXVYNRJFABA-JTQLQIEISA-N -1 0 381.454 1.456 20 50 GDGDRM Cc1ccc(C(=O)[N-]NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000832911289 601622381 /nfs/dbraw/zinc/62/23/81/601622381.db2.gz CCEYTXKCROLFED-UHFFFAOYSA-N -1 0 375.381 1.976 20 50 GDGDRM CN1c2ccccc2N(C)C1=C(C#N)C(=O)CCC(=O)NCC(C)(C)C(=O)[O-] ZINC000830893739 601710244 /nfs/dbraw/zinc/71/02/44/601710244.db2.gz CFKZQGVGHROICN-UHFFFAOYSA-N -1 0 384.436 1.884 20 50 GDGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826754981 601902006 /nfs/dbraw/zinc/90/20/06/601902006.db2.gz VFPTXHYFKBJLQQ-RFAUZJTJSA-N -1 0 389.374 1.743 20 50 GDGDRM CN1c2ccccc2N(C)C1=C(C#N)C(=O)CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000830894179 602032292 /nfs/dbraw/zinc/03/22/92/602032292.db2.gz JZBLVZACYAABDE-NRFANRHFSA-N -1 0 396.447 1.980 20 50 GDGDRM Cc1ccc(OCC(=O)NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cc1C ZINC000830407677 603224236 /nfs/dbraw/zinc/22/42/36/603224236.db2.gz RZGYUCHLNKDSIC-KRWDZBQOSA-N -1 0 385.420 1.881 20 50 GDGDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NNC(=O)COc2ccccc2O)cc1 ZINC000825434886 603376694 /nfs/dbraw/zinc/37/66/94/603376694.db2.gz YFQYOFJXTBRAIZ-NSHDSACASA-N -1 0 388.380 1.953 20 50 GDGDRM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000827444804 603430497 /nfs/dbraw/zinc/43/04/97/603430497.db2.gz OGFVYMSPHKQYIO-AGIUHOORSA-N -1 0 379.413 1.436 20 50 GDGDRM COc1cc(C(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)ccc1OC(C)C ZINC000829086718 603435063 /nfs/dbraw/zinc/43/50/63/603435063.db2.gz IDIIRBZJMVSMRQ-WCQYABFASA-N -1 0 379.413 1.680 20 50 GDGDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1F ZINC000832513938 603674554 /nfs/dbraw/zinc/67/45/54/603674554.db2.gz LJPDUUSFOLZBRF-YPMHNXCESA-N -1 0 382.392 1.361 20 50 GDGDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)COc1ccccc1F ZINC000832513935 603674602 /nfs/dbraw/zinc/67/46/02/603674602.db2.gz LJPDUUSFOLZBRF-DGCLKSJQSA-N -1 0 382.392 1.361 20 50 GDGDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000832516343 603736823 /nfs/dbraw/zinc/73/68/23/603736823.db2.gz UVDWCPKEWUWVCC-GZBFAFLISA-N -1 0 376.413 1.147 20 50 GDGDRM O=C([O-])NC[C@H](NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000832426985 603819043 /nfs/dbraw/zinc/81/90/43/603819043.db2.gz DNSCCVYVMCDDGM-NSHDSACASA-N -1 0 387.343 1.670 20 50 GDGDRM Cc1nc2ccccn2c1C(=O)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830793643 603821439 /nfs/dbraw/zinc/82/14/39/603821439.db2.gz UEAFRTYWHHAPAW-AGUYFDCRSA-N -1 0 385.424 1.715 20 50 GDGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cccc3ncccc31)C2 ZINC000831742577 603878943 /nfs/dbraw/zinc/87/89/43/603878943.db2.gz KTVYONPTOZROAP-YHWZYXNKSA-N -1 0 383.408 1.852 20 50 GDGDRM CN(C)c1cccc(C(=O)NNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000828073829 603894263 /nfs/dbraw/zinc/89/42/63/603894263.db2.gz PVEKCBXBFUDAKT-MRXNPFEDSA-N -1 0 385.424 1.706 20 50 GDGDRM O=C([O-])N1CC[C@@](F)(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC000831908447 603922197 /nfs/dbraw/zinc/92/21/97/603922197.db2.gz SKSISRWOYMZYAH-SFHVURJKSA-N -1 0 386.387 1.562 20 50 GDGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC000832278357 603922244 /nfs/dbraw/zinc/92/22/44/603922244.db2.gz MZEVPLISQAJGMX-NEPJUHHUSA-N -1 0 382.424 1.907 20 50 GDGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000832361691 603934177 /nfs/dbraw/zinc/93/41/77/603934177.db2.gz XJXKVURSMSNPRE-ZIAGYGMSSA-N -1 0 378.385 1.962 20 50 GDGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc(Br)ccc2O)C1 ZINC000832281698 603935391 /nfs/dbraw/zinc/93/53/91/603935391.db2.gz ZQPZVWDDOFSYKI-IONNQARKSA-N -1 0 386.202 1.352 20 50 GDGDRM O=C([O-])N1CCC(NC(=O)NNC(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000831742848 603946359 /nfs/dbraw/zinc/94/63/59/603946359.db2.gz SNWNFRLJMAZIEI-UHFFFAOYSA-N -1 0 383.408 1.835 20 50 GDGDRM O=C([O-])N1CCC[C@H]1CC(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 ZINC000831504096 603949431 /nfs/dbraw/zinc/94/94/31/603949431.db2.gz TVIMRXJIYZISEW-LBPRGKRZSA-N -1 0 383.788 1.177 20 50 GDGDRM O=C([O-])N1[C@H](C(=O)NNC(=O)Cc2cn3ccccc3n2)C[C@@H]2CCCC[C@@H]21 ZINC000831562431 603973781 /nfs/dbraw/zinc/97/37/81/603973781.db2.gz MYZRJEKSLWFSPK-QEJZJMRPSA-N -1 0 385.424 1.335 20 50 GDGDRM C[C@@H](NC(=O)NNC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825167387 604095511 /nfs/dbraw/zinc/09/55/11/604095511.db2.gz YULLYMKVQMLVDY-OLZOCXBDSA-N -1 0 392.460 1.867 20 50 GDGDRM N#Cc1cccc(C(=O)NNC(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000831146657 604168067 /nfs/dbraw/zinc/16/80/67/604168067.db2.gz VTYRPTRXFBRTLD-UHFFFAOYSA-N -1 0 389.412 1.051 20 50 GDGDRM CCc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000827605055 604197994 /nfs/dbraw/zinc/19/79/94/604197994.db2.gz SCVMVXQKCIMNMG-HUUCEWRRSA-N -1 0 392.456 1.785 20 50 GDGDRM O=C([O-])Nc1ccc(C(=O)NN=c2nc(N3CCOCC3)cc[nH]2)c(Cl)c1 ZINC000832839051 604271634 /nfs/dbraw/zinc/27/16/34/604271634.db2.gz PQUMYVJIJWMCFB-UHFFFAOYSA-N -1 0 392.803 1.813 20 50 GDGDRM C[C@H](CC(=O)NNC(=O)COc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672367 604286315 /nfs/dbraw/zinc/28/63/15/604286315.db2.gz WOVYWMUXAYHFNV-CHWSQXEVSA-N -1 0 381.404 1.768 20 50 GDGDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NNC(=O)c2cccc3ccccc32)CCO1 ZINC000825317709 604556066 /nfs/dbraw/zinc/55/60/66/604556066.db2.gz JCNUMKBYDIVVID-LRDDRELGSA-N -1 0 386.408 1.551 20 50 GDGDRM C[C@H](CC(=O)NNc1ccccc1S(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679735 604580375 /nfs/dbraw/zinc/58/03/75/604580375.db2.gz NBXSAFOJXAXKKB-OLZOCXBDSA-N -1 0 383.470 1.949 20 50 GDGDRM O=C([O-])N1CCC[C@@H](C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)C1 ZINC000831573701 604583501 /nfs/dbraw/zinc/58/35/01/604583501.db2.gz LXDBDYXIPNPGSR-SECBINFHSA-N -1 0 382.367 1.690 20 50 GDGDRM O=C([O-])N1CC[C@](F)(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)C1 ZINC000831573239 604583818 /nfs/dbraw/zinc/58/38/18/604583818.db2.gz IWQFJDPBVBASAC-MRXNPFEDSA-N -1 0 386.330 1.392 20 50 GDGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)cc2C1 ZINC000825956703 604650781 /nfs/dbraw/zinc/65/07/81/604650781.db2.gz ZUJVCVMSAAQMCN-ZYHUDNBSSA-N -1 0 381.454 1.403 20 50 GDGDRM CC(=NNC(=O)c1ccc(F)cc1Br)c1cn(CC(=O)[O-])nn1 ZINC000825804774 604784965 /nfs/dbraw/zinc/78/49/65/604784965.db2.gz WMPRRBRZSPXKQI-UHFFFAOYSA-N -1 0 384.165 1.418 20 50 GDGDRM CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1)c1cn(CC(=O)[O-])nn1 ZINC000825804670 604786568 /nfs/dbraw/zinc/78/65/68/604786568.db2.gz SRZUGHCLGVLRNR-UHFFFAOYSA-N -1 0 381.396 1.524 20 50 GDGDRM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833751114 604803888 /nfs/dbraw/zinc/80/38/88/604803888.db2.gz BPJASMJUAOPJOR-UHFFFAOYSA-N -1 0 390.421 1.286 20 50 GDGDRM CC(=O)N[C@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(F)cc1F ZINC000833395943 604804552 /nfs/dbraw/zinc/80/45/52/604804552.db2.gz UVZARDCGZJJRAQ-CQSZACIVSA-N -1 0 378.335 1.769 20 50 GDGDRM CCc1cccc(C)c1NC(=S)NNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000827596791 604810235 /nfs/dbraw/zinc/81/02/35/604810235.db2.gz ZZYAWDDOJBDMJS-ZDUSSCGKSA-N -1 0 380.470 1.644 20 50 GDGDRM O=C([O-])N1CCO[C@H](CC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000831387297 604824590 /nfs/dbraw/zinc/82/45/90/604824590.db2.gz GPEOSYKOEUSUTC-MRVPVSSYSA-N -1 0 376.196 1.523 20 50 GDGDRM Cc1ccc(OCCCC(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000830407676 604861299 /nfs/dbraw/zinc/86/12/99/604861299.db2.gz RXZJUWSGYDRQJK-UHFFFAOYSA-N -1 0 392.456 1.935 20 50 GDGDRM COc1cccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)[O-])C3)[nH]n2)c1 ZINC000829531819 604927770 /nfs/dbraw/zinc/92/77/70/604927770.db2.gz PMFFPSOFZMBAPR-LBPRGKRZSA-N -1 0 387.396 1.236 20 50 GDGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1csc(N2CCOCC2)n1 ZINC000833405333 605037657 /nfs/dbraw/zinc/03/76/57/605037657.db2.gz DKXJICOLQMAMCZ-NSHDSACASA-N -1 0 377.426 1.191 20 50 GDGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000827525188 605157201 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CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NNC(=O)c2cc(C)oc2C)s1 ZINC001597439348 987796764 /nfs/dbraw/zinc/79/67/64/987796764.db2.gz XZHTZSXEQICKCH-UHFFFAOYSA-N -1 0 379.394 1.618 20 50 GDGDRM CCc1cccc(C)c1NC(=S)NNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001597581353 988388522 /nfs/dbraw/zinc/38/85/22/988388522.db2.gz XGGSDYWNIPXISR-CYBMUJFWSA-N -1 0 392.481 1.198 20 50 GDGDRM CCc1nc2ccccc2n1CC(=O)NNC(=O)CCc1ocnc1C(=O)[O-] ZINC001597695560 988895974 /nfs/dbraw/zinc/89/59/74/988895974.db2.gz IHKHPBQEBZZPGG-UHFFFAOYSA-N -1 0 385.380 1.065 20 50 GDGDRM CCc1sc(C(=O)NNC(=O)COC(=O)c2ccncc2C(=O)[O-])cc1C ZINC001597818363 989453068 /nfs/dbraw/zinc/45/30/68/989453068.db2.gz QTPRPGBGVMCXAT-UHFFFAOYSA-N -1 0 391.405 1.330 20 50 GDGDRM COc1ccccc1SCC(=O)NNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599718233 991492821 /nfs/dbraw/zinc/49/28/21/991492821.db2.gz NBRUHUGQQLFGAC-XQHKEYJVSA-N -1 0 393.465 1.617 20 50 GDGDRM CS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(C(=O)[O-])c2F)n1 ZINC001599769285 992222676 /nfs/dbraw/zinc/22/26/76/992222676.db2.gz YRQAUHJZAXJBOK-UHFFFAOYSA-N -1 0 387.776 1.733 20 50 GDGDRM CS(=O)(=O)c1cccc(C(=O)NNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001599772396 992260466 /nfs/dbraw/zinc/26/04/66/992260466.db2.gz RYUWRDASRNFXQN-UHFFFAOYSA-N -1 0 394.449 1.276 20 50 GDGDRM C[C@H](NC(=O)NNc1cccc(S(C)(=O)=O)c1)c1ncc(C(=O)[O-])s1 ZINC001593102849 993748570 /nfs/dbraw/zinc/74/85/70/993748570.db2.gz XZQRFSQRLXGUKE-QMMMGPOBSA-N -1 0 384.439 1.632 20 50 GDGDRM C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593635409 995932126 /nfs/dbraw/zinc/93/21/26/995932126.db2.gz SADMGEDGSIZKGQ-JFUSQASVSA-N -1 0 385.214 1.475 20 50 GDGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001593639656 995942676 /nfs/dbraw/zinc/94/26/76/995942676.db2.gz QAAVZBMNUTULNP-SECBINFHSA-N -1 0 381.776 1.241 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC001599483846 996812446 /nfs/dbraw/zinc/81/24/46/996812446.db2.gz JYTSKUKOFQBFKQ-QMMMGPOBSA-N -1 0 394.409 1.564 20 50 GDGDRM COc1ccc(C(=O)NNC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001599484085 996816334 /nfs/dbraw/zinc/81/63/34/996816334.db2.gz PNAHKPFHKKFQDV-UHFFFAOYSA-N -1 0 378.410 1.980 20 50 GDGDRM COc1cc(NC(=O)NNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(OC)cc1Cl ZINC001599440349 997920590 /nfs/dbraw/zinc/92/05/90/997920590.db2.gz UZTGGTKKQASLER-VIFPVBQESA-N -1 0 398.803 1.866 20 50 GDGDRM COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599246480 998153043 /nfs/dbraw/zinc/15/30/43/998153043.db2.gz BPZCSIOPGFGKPJ-LLVKDONJSA-N -1 0 385.442 1.458 20 50 GDGDRM COc1ccc(CN2C[C@@H](C(=O)NN=c3ccc(C(=O)[O-])c[nH]3)CC2=O)cc1 ZINC001599559623 998164877 /nfs/dbraw/zinc/16/48/77/998164877.db2.gz JXSHDNJXWDBLAT-AWEZNQCLSA-N -1 0 384.392 1.280 20 50 GDGDRM COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001599248858 998194068 /nfs/dbraw/zinc/19/40/68/998194068.db2.gz RYLUESJVDODPNE-NSHDSACASA-N -1 0 383.401 1.376 20 50 GDGDRM COc1ccc(CNC(=O)/C=C/C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 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