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(CN1CCCN(Cc2cc(Br)ccc2[O-])CC1)N1CCCC1 ZINC000129267791 532175911 /nfs/dbraw/zinc/17/59/11/532175911.db2.gz ZHOXOSRPSZKWIH-UHFFFAOYSA-N -1 3 396.329 2.285 20 10 GECDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1[O-] ZINC000184680291 532334680 /nfs/dbraw/zinc/33/46/80/532334680.db2.gz YEEOGKKYKAWMSQ-CQSZACIVSA-N -1 3 376.906 2.348 20 10 GECDHM CCN(C1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1)S(C)(=O)=O ZINC000184691746 532334684 /nfs/dbraw/zinc/33/46/84/532334684.db2.gz SKJXUFUPJSHFRL-UHFFFAOYSA-N -1 3 376.906 2.300 20 10 GECDHM O=C(CNCc1cc(Br)cc(Br)c1[O-])NC1CC1 ZINC000297407401 532588137 /nfs/dbraw/zinc/58/81/37/532588137.db2.gz KZIGPWRWUQPJAM-UHFFFAOYSA-N -1 3 378.064 2.285 20 10 GECDHM CCCOc1ccc(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([O-])c1 ZINC000285493161 532683940 /nfs/dbraw/zinc/68/39/40/532683940.db2.gz MFJOPFOLYPTTIF-CQSZACIVSA-N -1 3 384.420 2.093 20 10 GECDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)c1NS(C)(=O)=O ZINC000298856754 532679978 /nfs/dbraw/zinc/67/99/78/532679978.db2.gz LXKKTWITDXCMPW-UHFFFAOYSA-N -1 3 384.479 2.490 20 10 GECDHM COc1cc(Cl)cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289621479 532861094 /nfs/dbraw/zinc/86/10/94/532861094.db2.gz WJUIZLYLRCJZGA-GFCCVEGCSA-N -1 3 376.906 2.158 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737270978 599017097 /nfs/dbraw/zinc/01/70/97/599017097.db2.gz PUXQJPLADCEPKN-CQSZACIVSA-N -1 3 380.452 2.325 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737270978 599017099 /nfs/dbraw/zinc/01/70/99/599017099.db2.gz PUXQJPLADCEPKN-CQSZACIVSA-N -1 3 380.452 2.325 20 10 GECDHM Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822105947 607289318 /nfs/dbraw/zinc/28/93/18/607289318.db2.gz YSEXECXQCBRFHU-UHFFFAOYSA-N -1 3 393.451 2.333 20 10 GECDHM Cc1c(NC(=O)NCc2ccc(N3CCOCC3)cc2)cccc1-c1nn[n-]n1 ZINC000822105947 607289319 /nfs/dbraw/zinc/28/93/19/607289319.db2.gz YSEXECXQCBRFHU-UHFFFAOYSA-N -1 3 393.451 2.333 20 10 GECDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000737954695 599276666 /nfs/dbraw/zinc/27/66/66/599276666.db2.gz PSZONEJFIDZURW-SFHVURJKSA-N -1 3 393.447 2.323 20 10 GECDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000737954695 599276668 /nfs/dbraw/zinc/27/66/68/599276668.db2.gz PSZONEJFIDZURW-SFHVURJKSA-N -1 3 393.447 2.323 20 10 GECDHM CCCOC(=O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736489478 598402832 /nfs/dbraw/zinc/40/28/32/598402832.db2.gz VFQZMCMQHQMRIM-UHFFFAOYSA-N -1 3 396.451 2.347 20 10 GECDHM O=C(NCc1ccccc1O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738123590 598562899 /nfs/dbraw/zinc/56/28/99/598562899.db2.gz HIFIZOATWVMPAO-UHFFFAOYSA-N -1 3 376.323 2.495 20 10 GECDHM O=C(NCc1ccccc1O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738123590 598562900 /nfs/dbraw/zinc/56/29/00/598562900.db2.gz HIFIZOATWVMPAO-UHFFFAOYSA-N -1 3 376.323 2.495 20 10 GECDHM Cc1cc(C(=O)N2CCc3n[nH]cc3C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234341 598612078 /nfs/dbraw/zinc/61/20/78/598612078.db2.gz PNBCDWQQCQVJRO-UHFFFAOYSA-N -1 3 388.435 2.196 20 10 GECDHM Cc1cc(C(=O)NC[C@@H](O)c2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233894 598619001 /nfs/dbraw/zinc/61/90/01/598619001.db2.gz HQWJQESKEREPKR-QGZVFWFLSA-N -1 3 392.419 2.331 20 10 GECDHM Cc1cc(C(=O)OCCN2CCCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242594 598623067 /nfs/dbraw/zinc/62/30/67/598623067.db2.gz PGYXJNBLRSAXRP-UHFFFAOYSA-N -1 3 394.435 2.053 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823254620 599447197 /nfs/dbraw/zinc/44/71/97/599447197.db2.gz ZOVMQXIJWXYDMF-UHFFFAOYSA-N -1 3 393.426 2.381 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823254620 599447199 /nfs/dbraw/zinc/44/71/99/599447199.db2.gz ZOVMQXIJWXYDMF-UHFFFAOYSA-N -1 3 393.426 2.381 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821610745 599450439 /nfs/dbraw/zinc/45/04/39/599450439.db2.gz CWGCMTGDAFWICL-UHFFFAOYSA-N -1 3 395.467 2.153 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821839848 599456646 /nfs/dbraw/zinc/45/66/46/599456646.db2.gz ZQYYHDJCQGMXOY-LBPRGKRZSA-N -1 3 398.423 2.020 20 10 GECDHM C[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N1CCCCCC1 ZINC000823688066 603931161 /nfs/dbraw/zinc/93/11/61/603931161.db2.gz YSYDIOLSSOUPDP-CRAIPNDOSA-N -1 3 376.501 2.442 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821589691 606318947 /nfs/dbraw/zinc/31/89/47/606318947.db2.gz YYDFAZYUWBTTMJ-QGZVFWFLSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821589691 606318949 /nfs/dbraw/zinc/31/89/49/606318949.db2.gz YYDFAZYUWBTTMJ-QGZVFWFLSA-N -1 3 395.467 2.082 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823253665 606349784 /nfs/dbraw/zinc/34/97/84/606349784.db2.gz KDSLHMFZESJLTE-UHFFFAOYSA-N -1 3 397.414 2.164 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823253665 606349785 /nfs/dbraw/zinc/34/97/85/606349785.db2.gz KDSLHMFZESJLTE-UHFFFAOYSA-N -1 3 397.414 2.164 20 10 GECDHM COc1ccc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000821831825 606495686 /nfs/dbraw/zinc/49/56/86/606495686.db2.gz OHYMDSSKIFNBQH-UHFFFAOYSA-N -1 3 384.465 2.289 20 10 GECDHM COc1ccc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000821831825 606495687 /nfs/dbraw/zinc/49/56/87/606495687.db2.gz OHYMDSSKIFNBQH-UHFFFAOYSA-N -1 3 384.465 2.289 20 10 GECDHM COc1ccc(N2CCN(c3nc(C)cc(C)c3-c3nnn[n-]3)CC2)cc1F ZINC000821831647 606634084 /nfs/dbraw/zinc/63/40/84/606634084.db2.gz HIBVFKZFSUXAKY-UHFFFAOYSA-N -1 3 383.431 2.353 20 10 GECDHM COc1ccc(N2CCN(c3nc(C)cc(C)c3-c3nn[n-]n3)CC2)cc1F ZINC000821831647 606634085 /nfs/dbraw/zinc/63/40/85/606634085.db2.gz HIBVFKZFSUXAKY-UHFFFAOYSA-N -1 3 383.431 2.353 20 10 GECDHM COCCC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821684621 606794907 /nfs/dbraw/zinc/79/49/07/606794907.db2.gz FTVXKPUUCWVFIT-UHFFFAOYSA-N -1 3 383.408 2.037 20 10 GECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1ccon1 ZINC000823504851 606975580 /nfs/dbraw/zinc/97/55/80/606975580.db2.gz VLAGFHRKQIPSJC-BJMVGYQFSA-N -1 3 376.448 2.318 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823196928 607097532 /nfs/dbraw/zinc/09/75/32/607097532.db2.gz MUZLVTKTLYABED-UHFFFAOYSA-N -1 3 375.483 2.305 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823196928 607097534 /nfs/dbraw/zinc/09/75/34/607097534.db2.gz MUZLVTKTLYABED-UHFFFAOYSA-N -1 3 375.483 2.305 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CC(C)(C)OC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258937 608075634 /nfs/dbraw/zinc/07/56/34/608075634.db2.gz BPXZCGLJMHENMX-INIZCTEOSA-N -1 3 394.435 2.098 20 10 GECDHM CCS(=O)(=O)N(C)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093321060 643076368 /nfs/dbraw/zinc/07/63/68/643076368.db2.gz OQFDGWZTFFNURN-UHFFFAOYSA-N -1 3 391.331 2.401 20 10 GECDHM O=S(=O)(Cc1ccon1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161828459 644222110 /nfs/dbraw/zinc/22/21/10/644222110.db2.gz VFXGQKCQNBHRDE-AWEZNQCLSA-N -1 3 385.873 2.118 20 10 GECDHM O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000760577133 652615811 /nfs/dbraw/zinc/61/58/11/652615811.db2.gz QZGRVERYJNPERY-GFCCVEGCSA-N -1 3 380.238 2.441 20 10 GECDHM COC(=O)c1cn([C@H]2CCN(Cc3cc(C)cc(Br)c3[O-])C2)nn1 ZINC000761225708 652637264 /nfs/dbraw/zinc/63/72/64/652637264.db2.gz HEKSTPHGQFEVKG-LBPRGKRZSA-N -1 3 395.257 2.288 20 10 GECDHM O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(O)c1[O-] ZINC000773657841 653211086 /nfs/dbraw/zinc/21/10/86/653211086.db2.gz HAJAEHMRYYRCHN-ZDUSSCGKSA-N -1 3 391.221 2.396 20 10 GECDHM Cn1cccc1C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862216170 653679909 /nfs/dbraw/zinc/67/99/09/653679909.db2.gz ZOMCFSILODMEFD-UHFFFAOYSA-N -1 3 378.270 2.451 20 10 GECDHM CC(=O)NCCN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000843427566 653786886 /nfs/dbraw/zinc/78/68/86/653786886.db2.gz HDLOLPGMPNKUEE-UHFFFAOYSA-N -1 3 380.080 2.485 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@H]2CC2(Cl)Cl)c1 ZINC000846587774 653903730 /nfs/dbraw/zinc/90/37/30/653903730.db2.gz MBGXRRBVMRAQCO-VIFPVBQESA-N -1 3 381.281 2.468 20 10 GECDHM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897605448 653930025 /nfs/dbraw/zinc/93/00/25/653930025.db2.gz DJCSCBWYJGSYGN-SCZZXKLOSA-N -1 3 397.722 2.165 20 10 GECDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)N3CCC3)cc2)cc1 ZINC000795277268 653941890 /nfs/dbraw/zinc/94/18/90/653941890.db2.gz FZNAKMHROBDKLG-UHFFFAOYSA-N -1 3 381.479 2.158 20 10 GECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000796191186 653990700 /nfs/dbraw/zinc/99/07/00/653990700.db2.gz PUBYTPQMOOYSNV-UHFFFAOYSA-N -1 3 394.678 2.329 20 10 GECDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)NC)cc2)cc1 ZINC000797432307 654031556 /nfs/dbraw/zinc/03/15/56/654031556.db2.gz ALFLKJSNLOSGCJ-UHFFFAOYSA-N -1 3 383.495 2.316 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000797431513 654031666 /nfs/dbraw/zinc/03/16/66/654031666.db2.gz QRJADXMIIFSIGH-UHFFFAOYSA-N -1 3 389.886 2.325 20 10 GECDHM C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186019733 532339567 /nfs/dbraw/zinc/33/95/67/532339567.db2.gz ZTJOGQMODURUKS-JSGCOSHPSA-N -1 3 376.906 2.185 20 10 GECDHM COc1cc(Br)cc(CN2CCS(=O)(=O)CC[C@H]2C)c1[O-] ZINC000192054367 532381157 /nfs/dbraw/zinc/38/11/57/532381157.db2.gz VGDMAZMDKZSZGZ-SNVBAGLBSA-N -1 3 378.288 2.172 20 10 GECDHM CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000374260153 532496252 /nfs/dbraw/zinc/49/62/52/532496252.db2.gz SYPUQFSBVXWMOZ-CYBMUJFWSA-N -1 3 377.304 2.057 20 10 GECDHM CN(C)CCn1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000297567959 532597333 /nfs/dbraw/zinc/59/73/33/532597333.db2.gz XXMAMHVNNVISND-UHFFFAOYSA-N -1 3 382.262 2.235 20 10 GECDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000298302795 532640257 /nfs/dbraw/zinc/64/02/57/532640257.db2.gz HEYOITXSALQVDN-UHFFFAOYSA-N -1 3 384.479 2.048 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000268473711 532765011 /nfs/dbraw/zinc/76/50/11/532765011.db2.gz XBAKYUJVELYBNR-HNNXBMFYSA-N -1 3 382.463 2.039 20 10 GECDHM O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000275164705 532866852 /nfs/dbraw/zinc/86/68/52/532866852.db2.gz ZXJZHXYMOGYNNA-QMMMGPOBSA-N -1 3 381.738 2.454 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000290347151 532878593 /nfs/dbraw/zinc/87/85/93/532878593.db2.gz NNDHMDLJUZJTBH-LLVKDONJSA-N -1 3 393.285 2.437 20 10 GECDHM O=S(=O)(C[C@@H](O)CNCc1cc(Cl)c(F)cc1[O-])c1cccs1 ZINC000293565597 532928863 /nfs/dbraw/zinc/92/88/63/532928863.db2.gz IJYCPQXDRUDXMC-JTQLQIEISA-N -1 3 379.862 2.171 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000368316109 532931438 /nfs/dbraw/zinc/93/14/38/532931438.db2.gz FBVLRHQVZBBBSL-GXFFZTMASA-N -1 3 379.258 2.344 20 10 GECDHM COc1ccc(O)c(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737105128 598921818 /nfs/dbraw/zinc/92/18/18/598921818.db2.gz DLHMOKBZQSNYBD-UHFFFAOYSA-N -1 3 397.435 2.446 20 10 GECDHM COc1ccc(O)c(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105128 598921820 /nfs/dbraw/zinc/92/18/20/598921820.db2.gz DLHMOKBZQSNYBD-UHFFFAOYSA-N -1 3 397.435 2.446 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738102733 599013151 /nfs/dbraw/zinc/01/31/51/599013151.db2.gz BDNYBUIDWRGTEL-UHFFFAOYSA-N -1 3 375.436 2.242 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738102733 599013153 /nfs/dbraw/zinc/01/31/53/599013153.db2.gz BDNYBUIDWRGTEL-UHFFFAOYSA-N -1 3 375.436 2.242 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737106166 598326937 /nfs/dbraw/zinc/32/69/37/598326937.db2.gz OBJAMIZQBJEGPD-SNVBAGLBSA-N -1 3 386.387 2.280 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737106166 598326939 /nfs/dbraw/zinc/32/69/39/598326939.db2.gz OBJAMIZQBJEGPD-SNVBAGLBSA-N -1 3 386.387 2.280 20 10 GECDHM CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000736315702 598611475 /nfs/dbraw/zinc/61/14/75/598611475.db2.gz QKKZRBWLZNZSRJ-HXUWFJFHSA-N -1 3 396.451 2.346 20 10 GECDHM CN1CCCc2cc(CNC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)ccc21 ZINC000821625210 599461764 /nfs/dbraw/zinc/46/17/64/599461764.db2.gz HTDUKSCQBHLTNI-UHFFFAOYSA-N -1 3 395.442 2.388 20 10 GECDHM CN1CCCc2cc(CNC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)ccc21 ZINC000821625210 599461768 /nfs/dbraw/zinc/46/17/68/599461768.db2.gz HTDUKSCQBHLTNI-UHFFFAOYSA-N -1 3 395.442 2.388 20 10 GECDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823036338 599488765 /nfs/dbraw/zinc/48/87/65/599488765.db2.gz AAGUYWMINQDUCC-UHFFFAOYSA-N -1 3 379.420 2.146 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)C1 ZINC000833081022 600741829 /nfs/dbraw/zinc/74/18/29/600741829.db2.gz TUKGJPIRYXPTAL-BEFAXECRSA-N -1 3 385.439 2.443 20 10 GECDHM COc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1-c1nnn[n-]1 ZINC000826199652 607573742 /nfs/dbraw/zinc/57/37/42/607573742.db2.gz HOGWUPJURCXEAC-UHFFFAOYSA-N -1 3 395.467 2.249 20 10 GECDHM COc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1-c1nn[n-]n1 ZINC000826199652 607573744 /nfs/dbraw/zinc/57/37/44/607573744.db2.gz HOGWUPJURCXEAC-UHFFFAOYSA-N -1 3 395.467 2.249 20 10 GECDHM O=S(=O)(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826492221 607625514 /nfs/dbraw/zinc/62/55/14/607625514.db2.gz YLBCNYOMJIHAEF-UHFFFAOYSA-N -1 3 399.354 2.070 20 10 GECDHM O=S(=O)(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826492221 607625515 /nfs/dbraw/zinc/62/55/15/607625515.db2.gz YLBCNYOMJIHAEF-UHFFFAOYSA-N -1 3 399.354 2.070 20 10 GECDHM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027682 605593449 /nfs/dbraw/zinc/59/34/49/605593449.db2.gz PCMQGRAEKXNHRF-BBRMVZONSA-N -1 3 379.432 2.002 20 10 GECDHM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027682 605593452 /nfs/dbraw/zinc/59/34/52/605593452.db2.gz PCMQGRAEKXNHRF-BBRMVZONSA-N -1 3 379.432 2.002 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CCC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168104 606183412 /nfs/dbraw/zinc/18/34/12/606183412.db2.gz LOWNQQBHNIQFPO-RDJZCZTQSA-N -1 3 380.452 2.308 20 10 GECDHM COc1ccc(N(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821827930 606881785 /nfs/dbraw/zinc/88/17/85/606881785.db2.gz NLAHRDVLFWJJPY-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM COc1ccc(N(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821827930 606881787 /nfs/dbraw/zinc/88/17/87/606881787.db2.gz NLAHRDVLFWJJPY-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM COCCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000821689239 606928119 /nfs/dbraw/zinc/92/81/19/606928119.db2.gz QYZMWBUYWFKEJW-QGZVFWFLSA-N -1 3 399.451 2.070 20 10 GECDHM COCCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821689239 606928120 /nfs/dbraw/zinc/92/81/20/606928120.db2.gz QYZMWBUYWFKEJW-QGZVFWFLSA-N -1 3 399.451 2.070 20 10 GECDHM Cc1cc(C(=O)NOCC(F)(F)F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822175817 607099699 /nfs/dbraw/zinc/09/96/99/607099699.db2.gz ARICZXCRPIIOKR-UHFFFAOYSA-N -1 3 380.330 2.498 20 10 GECDHM COc1ccc(O)c(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821838525 607154663 /nfs/dbraw/zinc/15/46/63/607154663.db2.gz OMCDVNXIQPVEOJ-UHFFFAOYSA-N -1 3 383.408 2.055 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260383 607808833 /nfs/dbraw/zinc/80/88/33/607808833.db2.gz LLMVGKVRLSLAOD-JCNLHEQBSA-N -1 3 380.452 2.308 20 10 GECDHM Cc1cc(C(=O)NCc2csc(=O)[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259785 608012168 /nfs/dbraw/zinc/01/21/68/608012168.db2.gz GERKOWWSMQPSTR-UHFFFAOYSA-N -1 3 395.448 2.366 20 10 GECDHM COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112103 608500375 /nfs/dbraw/zinc/50/03/75/608500375.db2.gz SGTUNVXPLIJHBO-PIGZYNQJSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112103 608500377 /nfs/dbraw/zinc/50/03/77/608500377.db2.gz SGTUNVXPLIJHBO-PIGZYNQJSA-N -1 3 383.408 2.146 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000826280675 608545143 /nfs/dbraw/zinc/54/51/43/608545143.db2.gz LPUSXUNXDMONPR-UHFFFAOYSA-N -1 3 383.431 2.282 20 10 GECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000129071289 643817580 /nfs/dbraw/zinc/81/75/80/643817580.db2.gz LEYCRDWJOXQQND-CYBMUJFWSA-N -1 3 384.318 2.187 20 10 GECDHM CC(=O)c1cc(Cl)cc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1[O-] ZINC000176995031 644407809 /nfs/dbraw/zinc/40/78/09/644407809.db2.gz SWWUONKMPPXJPE-UHFFFAOYSA-N -1 3 380.853 2.458 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000268638472 645981813 /nfs/dbraw/zinc/98/18/13/645981813.db2.gz XISFPJJDDURWFC-CQSZACIVSA-N -1 3 382.463 2.039 20 10 GECDHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1F ZINC000776748661 653375638 /nfs/dbraw/zinc/37/56/38/653375638.db2.gz WEJSVUHPMLXEOE-UHFFFAOYSA-N -1 3 388.442 2.402 20 10 GECDHM CS(=O)(=O)NC[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862219230 653679905 /nfs/dbraw/zinc/67/99/05/653679905.db2.gz JHPDLRIEHYQJTC-LLVKDONJSA-N -1 3 377.304 2.058 20 10 GECDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862217646 653680033 /nfs/dbraw/zinc/68/00/33/653680033.db2.gz MNOLBALFYUODSS-UHFFFAOYSA-N -1 3 379.258 2.276 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCSc2ccccn2)c1 ZINC000816552368 653687566 /nfs/dbraw/zinc/68/75/66/653687566.db2.gz JXTHHCXZHUWMIK-UHFFFAOYSA-N -1 3 381.479 2.071 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2nccs2)C(F)(F)F)c1 ZINC000818322118 653729880 /nfs/dbraw/zinc/72/98/80/653729880.db2.gz KQWNDAAATZSQMR-SNVBAGLBSA-N -1 3 395.384 2.254 20 10 GECDHM CCOP(=O)(CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OCC ZINC000843917297 653796990 /nfs/dbraw/zinc/79/69/90/653796990.db2.gz HTCPBNYVXDBXOU-UHFFFAOYSA-N -1 3 394.386 2.059 20 10 GECDHM CCON(C)C(=O)CNCc1cc(Br)cc(Br)c1[O-] ZINC000846063811 653885504 /nfs/dbraw/zinc/88/55/04/653885504.db2.gz IRYWSGOAUWLEQL-UHFFFAOYSA-N -1 3 396.079 2.417 20 10 GECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556488 653901802 /nfs/dbraw/zinc/90/18/02/653901802.db2.gz VVWOCOPEJHSNIN-ZDUSSCGKSA-N -1 3 384.318 2.187 20 10 GECDHM O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Br)cc(F)c3[O-])C2)nc[n-]1 ZINC000898149773 653955546 /nfs/dbraw/zinc/95/55/46/653955546.db2.gz GWVWTOWBNFNNGX-LLVKDONJSA-N -1 3 383.221 2.158 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(F)c1 ZINC000830150657 654101927 /nfs/dbraw/zinc/10/19/27/654101927.db2.gz LOTQBOXWWKBLBC-ZDUSSCGKSA-N -1 3 394.490 2.288 20 10 GECDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000055579928 531794405 /nfs/dbraw/zinc/79/44/05/531794405.db2.gz TWLVJMNUZYKOQV-UHFFFAOYSA-N -1 3 384.479 2.484 20 10 GECDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000056259863 531810578 /nfs/dbraw/zinc/81/05/78/531810578.db2.gz LZKBOOLQJBWVNP-ZDUSSCGKSA-N -1 3 381.523 2.140 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)CS(C)(=O)=O ZINC000177420762 532170225 /nfs/dbraw/zinc/17/02/25/532170225.db2.gz BHTKLFSARMTFKU-JTQLQIEISA-N -1 3 378.288 2.184 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nc(N)nc(N(C)C)n1 ZINC000177174702 532163845 /nfs/dbraw/zinc/16/38/45/532163845.db2.gz OIAUEZCASUEIBR-UHFFFAOYSA-N -1 3 381.278 2.010 20 10 GECDHM COc1cc(Br)cc(CN2CCS(=O)(=O)C[C@H](C)C2)c1[O-] ZINC000192063627 532382861 /nfs/dbraw/zinc/38/28/61/532382861.db2.gz VROQJLGVTAARRE-SNVBAGLBSA-N -1 3 378.288 2.030 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1ncoc1C ZINC000288780090 532838309 /nfs/dbraw/zinc/83/83/09/532838309.db2.gz YKOSHSVRQOBGRI-UHFFFAOYSA-N -1 3 396.241 2.116 20 10 GECDHM COC(=O)c1cn([C@@H]2CCN(Cc3cc(Br)cc(C)c3[O-])C2)nn1 ZINC000363934614 532902208 /nfs/dbraw/zinc/90/22/08/532902208.db2.gz VQOLHNGFHIZAGL-CYBMUJFWSA-N -1 3 395.257 2.288 20 10 GECDHM COc1cc(Br)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC000366478263 532917879 /nfs/dbraw/zinc/91/78/79/532917879.db2.gz DOHZSPAKOKYTQB-SNVBAGLBSA-N -1 3 378.288 2.030 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000368316112 532931328 /nfs/dbraw/zinc/93/13/28/532931328.db2.gz FBVLRHQVZBBBSL-ZWNOBZJWSA-N -1 3 379.258 2.344 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226495 598913134 /nfs/dbraw/zinc/91/31/34/598913134.db2.gz AWLJTZNTDRSEGT-UHFFFAOYSA-N -1 3 376.424 2.270 20 10 GECDHM COc1ccc(O)c(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737105900 598920701 /nfs/dbraw/zinc/92/07/01/598920701.db2.gz MDDCFBBMBGXGPL-UHFFFAOYSA-N -1 3 385.428 2.459 20 10 GECDHM COc1ccc(O)c(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737105900 598920703 /nfs/dbraw/zinc/92/07/03/598920703.db2.gz MDDCFBBMBGXGPL-UHFFFAOYSA-N -1 3 385.428 2.459 20 10 GECDHM COc1ccc(O)c(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105532 598922142 /nfs/dbraw/zinc/92/21/42/598922142.db2.gz ITZXVCYPWRAHCT-UHFFFAOYSA-N -1 3 385.449 2.131 20 10 GECDHM COc1ccc(O)c(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105532 598922144 /nfs/dbraw/zinc/92/21/44/598922144.db2.gz ITZXVCYPWRAHCT-UHFFFAOYSA-N -1 3 385.449 2.131 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821589489 599215719 /nfs/dbraw/zinc/21/57/19/599215719.db2.gz PPJITIBNECOSGM-UHFFFAOYSA-N -1 3 378.436 2.291 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821589489 599215720 /nfs/dbraw/zinc/21/57/20/599215720.db2.gz PPJITIBNECOSGM-UHFFFAOYSA-N -1 3 378.436 2.291 20 10 GECDHM Cc1cc(C(=O)N2CCC(CO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169035 607363155 /nfs/dbraw/zinc/36/31/55/607363155.db2.gz WUMNJCVFWGMDFQ-UHFFFAOYSA-N -1 3 380.452 2.119 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105513 598779247 /nfs/dbraw/zinc/77/92/47/598779247.db2.gz IJJBNJVQCUUDDI-NEPJUHHUSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000737106226 598782562 /nfs/dbraw/zinc/78/25/62/598782562.db2.gz QBRPAMMJMLIPGO-SNVBAGLBSA-N -1 3 384.396 2.472 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000737106226 598782563 /nfs/dbraw/zinc/78/25/63/598782563.db2.gz QBRPAMMJMLIPGO-SNVBAGLBSA-N -1 3 384.396 2.472 20 10 GECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1Cc1ccon1 ZINC000823504797 607462881 /nfs/dbraw/zinc/46/28/81/607462881.db2.gz USKWAQRBYAMQBE-SDQBBNPISA-N -1 3 388.409 2.395 20 10 GECDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1Cc1ccon1 ZINC000823504797 607462883 /nfs/dbraw/zinc/46/28/83/607462883.db2.gz USKWAQRBYAMQBE-SDQBBNPISA-N -1 3 388.409 2.395 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])cc2=O ZINC000829890390 601201796 /nfs/dbraw/zinc/20/17/96/601201796.db2.gz QFPXXYFBZSSRLJ-SJKOYZFVSA-N -1 3 398.419 2.163 20 10 GECDHM CC(C)(CC(=O)[O-])NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000826538165 602258542 /nfs/dbraw/zinc/25/85/42/602258542.db2.gz IKJMNNULRGWJJN-UHFFFAOYSA-N -1 3 380.400 2.243 20 10 GECDHM CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825415518 607592000 /nfs/dbraw/zinc/59/20/00/607592000.db2.gz BUNIFJGDJUYGKX-UHFFFAOYSA-N -1 3 386.481 2.191 20 10 GECDHM CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825415518 607592003 /nfs/dbraw/zinc/59/20/03/607592003.db2.gz BUNIFJGDJUYGKX-UHFFFAOYSA-N -1 3 386.481 2.191 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825980481 607627817 /nfs/dbraw/zinc/62/78/17/607627817.db2.gz BASNVFPHXLWMKV-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825980481 607627819 /nfs/dbraw/zinc/62/78/19/607627819.db2.gz BASNVFPHXLWMKV-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N1CCCCCC1 ZINC000823688075 603931084 /nfs/dbraw/zinc/93/10/84/603931084.db2.gz YSYDIOLSSOUPDP-YJBOKZPZSA-N -1 3 376.501 2.442 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000821831807 606630900 /nfs/dbraw/zinc/63/09/00/606630900.db2.gz NDUBIJSRNQSQJO-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000821831807 606630903 /nfs/dbraw/zinc/63/09/03/606630903.db2.gz NDUBIJSRNQSQJO-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM COCC(COC)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821682812 607092598 /nfs/dbraw/zinc/09/25/98/607092598.db2.gz ODGMTHWPJRSCLD-UHFFFAOYSA-N -1 3 385.424 2.092 20 10 GECDHM Cc1nc(SCC(=O)NCc2ccccc2O)c(-c2nnn[n-]2)c(C)c1C ZINC000822454602 607228583 /nfs/dbraw/zinc/22/85/83/607228583.db2.gz YQWNSULHCXOQBH-UHFFFAOYSA-N -1 3 384.465 2.301 20 10 GECDHM Cc1nc(SCC(=O)NCc2ccccc2O)c(-c2nn[n-]n2)c(C)c1C ZINC000822454602 607228584 /nfs/dbraw/zinc/22/85/84/607228584.db2.gz YQWNSULHCXOQBH-UHFFFAOYSA-N -1 3 384.465 2.301 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)c2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258414 607956859 /nfs/dbraw/zinc/95/68/59/607956859.db2.gz KSOVXNAEOBJLGQ-GFCCVEGCSA-N -1 3 376.424 2.488 20 10 GECDHM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@@H]1O ZINC000825203228 608039539 /nfs/dbraw/zinc/03/95/39/608039539.db2.gz MULKABIUDSPOSR-KDOFPFPSSA-N -1 3 380.452 2.117 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825878791 609192495 /nfs/dbraw/zinc/19/24/95/609192495.db2.gz FJWXWEHEAGYELE-QGZVFWFLSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825878791 609192498 /nfs/dbraw/zinc/19/24/98/609192498.db2.gz FJWXWEHEAGYELE-QGZVFWFLSA-N -1 3 395.467 2.082 20 10 GECDHM Cc1cc(C(=O)O[C@@H]2CCCN(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260933 609466876 /nfs/dbraw/zinc/46/68/76/609466876.db2.gz KKHYDYGARIBOQH-QGZVFWFLSA-N -1 3 394.435 2.052 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2Br)c1 ZINC000097374239 643095611 /nfs/dbraw/zinc/09/56/11/643095611.db2.gz YCGDNOFRXUNITQ-UHFFFAOYSA-N -1 3 399.266 2.456 20 10 GECDHM COc1cc(Cl)ccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842799 651611162 /nfs/dbraw/zinc/61/11/62/651611162.db2.gz IXBNFBVXPHUFOS-UHFFFAOYSA-N -1 3 384.841 2.356 20 10 GECDHM COC(=O)c1cc(S(=O)(=O)[N-]CCCSc2nccs2)oc1C ZINC000751122937 652325040 /nfs/dbraw/zinc/32/50/40/652325040.db2.gz YROCMLQMUDGPEZ-UHFFFAOYSA-N -1 3 376.481 2.292 20 10 GECDHM COCC[C@@H](C)S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000766504261 652883346 /nfs/dbraw/zinc/88/33/46/652883346.db2.gz ZIZNLAPLVCZHON-CJNGLKHVSA-N -1 3 390.933 2.354 20 10 GECDHM Cc1nc(S(=O)(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000769335937 653149732 /nfs/dbraw/zinc/14/97/32/653149732.db2.gz WHJKYFGZZIWJES-UHFFFAOYSA-N -1 3 387.914 2.317 20 10 GECDHM CCN(CC(=O)N=[S@@](C)(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000878152194 653630110 /nfs/dbraw/zinc/63/01/10/653630110.db2.gz HFJXAGDDMLMSLX-JOCHJYFZSA-N -1 3 392.319 2.078 20 10 GECDHM COC(=O)CN(Cc1ccc(S(C)(=O)=O)o1)Cc1cc(Cl)ccc1[O-] ZINC000839516742 653653334 /nfs/dbraw/zinc/65/33/34/653653334.db2.gz IVEBERVJDOSDGA-UHFFFAOYSA-N -1 3 387.841 2.217 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862366024 653684606 /nfs/dbraw/zinc/68/46/06/653684606.db2.gz AOZPVSJCPAXXOG-UHFFFAOYSA-N -1 3 377.304 2.058 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000816642427 653689532 /nfs/dbraw/zinc/68/95/32/653689532.db2.gz ZDRWFMOSMAQFHX-CQSZACIVSA-N -1 3 381.274 2.384 20 10 GECDHM COCCNC(=O)C1(N[C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000840821293 653695393 /nfs/dbraw/zinc/69/53/93/653695393.db2.gz BUHIDECPJRAQNN-SECBINFHSA-N -1 3 375.238 2.240 20 10 GECDHM CCN(OC)C(=O)CNCc1cc(Br)cc(Br)c1[O-] ZINC000843430952 653786854 /nfs/dbraw/zinc/78/68/54/653786854.db2.gz STKZTVJQPOHGFH-UHFFFAOYSA-N -1 3 396.079 2.417 20 10 GECDHM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000895376831 653831200 /nfs/dbraw/zinc/83/12/00/653831200.db2.gz ZRDJDPHZTHSWCJ-PEBXRYMYSA-N -1 3 384.299 2.194 20 10 GECDHM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1c([O-])cccc1F ZINC000896642535 653889209 /nfs/dbraw/zinc/88/92/09/653889209.db2.gz ZMUUQVDMKCIWEI-NSHDSACASA-N -1 3 387.864 2.339 20 10 GECDHM CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000824560731 653901864 /nfs/dbraw/zinc/90/18/64/653901864.db2.gz KVXGSEUJVDLQKZ-CYBMUJFWSA-N -1 3 377.304 2.058 20 10 GECDHM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824905733 653912473 /nfs/dbraw/zinc/91/24/73/653912473.db2.gz BFCSRUUFSTUDAE-CQSZACIVSA-N -1 3 396.329 2.283 20 10 GECDHM CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825883151 653943139 /nfs/dbraw/zinc/94/31/39/653943139.db2.gz SXBXATZOAHJWDG-ZDUSSCGKSA-N -1 3 377.304 2.011 20 10 GECDHM O=[N+]([O-])c1cc(Cl)cc(CNCCS(=O)(=O)CC(F)(F)F)c1[O-] ZINC000850363829 654072878 /nfs/dbraw/zinc/07/28/78/654072878.db2.gz JLYFJWWAVVGZPX-UHFFFAOYSA-N -1 3 376.740 2.021 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)N1CCN(C)CC1 ZINC000120992209 532008079 /nfs/dbraw/zinc/00/80/79/532008079.db2.gz OSYWVNBAFLXURY-ZDUSSCGKSA-N -1 3 384.318 2.139 20 10 GECDHM Cc1nc(CN2CCN(Cc3cc(Br)cc(C)c3[O-])CC2)no1 ZINC000180153218 532259066 /nfs/dbraw/zinc/25/90/66/532259066.db2.gz PNMJAUYBMNSJFG-UHFFFAOYSA-N -1 3 381.274 2.472 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1cccn1C ZINC000284126494 532576593 /nfs/dbraw/zinc/57/65/93/532576593.db2.gz RBMHPJQYFUSXNI-UHFFFAOYSA-N -1 3 394.269 2.158 20 10 GECDHM C[C@]12CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@H]1C2(Cl)Cl ZINC000286465813 532748501 /nfs/dbraw/zinc/74/85/01/532748501.db2.gz ZLCOPMYLCABMJH-OCCSQVGLSA-N -1 3 393.292 2.420 20 10 GECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000360001708 532888930 /nfs/dbraw/zinc/88/89/30/532888930.db2.gz WJTUITREDZRSBX-OLZOCXBDSA-N -1 3 388.258 2.316 20 10 GECDHM COC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736970042 598848803 /nfs/dbraw/zinc/84/88/03/598848803.db2.gz AMDKOLQJXPKDLB-OAHLLOKOSA-N -1 3 380.452 2.383 20 10 GECDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737269314 599006417 /nfs/dbraw/zinc/00/64/17/599006417.db2.gz CPVWNDOOPAZMQQ-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737269314 599006418 /nfs/dbraw/zinc/00/64/18/599006418.db2.gz CPVWNDOOPAZMQQ-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233817 599240933 /nfs/dbraw/zinc/24/09/33/599240933.db2.gz LBCMHSGAGLHNHO-BBRMVZONSA-N -1 3 380.452 2.429 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233822 599241429 /nfs/dbraw/zinc/24/14/29/599241429.db2.gz LBCMHSGAGLHNHO-CZUORRHYSA-N -1 3 380.452 2.429 20 10 GECDHM Cc1cc(C(=O)NC[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234000 598610435 /nfs/dbraw/zinc/61/04/35/598610435.db2.gz IYKCSQJJUABWHD-OAHLLOKOSA-N -1 3 380.452 2.431 20 10 GECDHM Cc1cc(C(=O)NO[C@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236683 598612033 /nfs/dbraw/zinc/61/20/33/598612033.db2.gz QOFFCZATSGABCC-KRWDZBQOSA-N -1 3 382.424 2.462 20 10 GECDHM Cc1cc(C(=O)NC[C@@]2(C)CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235443 598813772 /nfs/dbraw/zinc/81/37/72/598813772.db2.gz UZWGNBUIVAWVRK-HXUWFJFHSA-N -1 3 380.452 2.431 20 10 GECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822928254 607451640 /nfs/dbraw/zinc/45/16/40/607451640.db2.gz FUMKKWWXFZZFSI-ALCCZGGFSA-N -1 3 377.360 2.287 20 10 GECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822928254 607451642 /nfs/dbraw/zinc/45/16/42/607451642.db2.gz FUMKKWWXFZZFSI-ALCCZGGFSA-N -1 3 377.360 2.287 20 10 GECDHM C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N1CCCCCC1 ZINC000823688070 603931110 /nfs/dbraw/zinc/93/11/10/603931110.db2.gz YSYDIOLSSOUPDP-MAUKXSAKSA-N -1 3 376.501 2.442 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000833874742 605877389 /nfs/dbraw/zinc/87/73/89/605877389.db2.gz YBOCZQNCRBZEQC-DFNIBXOVSA-N -1 3 388.512 2.316 20 10 GECDHM CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000821214714 606185839 /nfs/dbraw/zinc/18/58/39/606185839.db2.gz KLHFPQIQSNRMGB-UHFFFAOYSA-N -1 3 387.465 2.176 20 10 GECDHM CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000821214714 606185841 /nfs/dbraw/zinc/18/58/41/606185841.db2.gz KLHFPQIQSNRMGB-UHFFFAOYSA-N -1 3 387.465 2.176 20 10 GECDHM CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820902029 606823911 /nfs/dbraw/zinc/82/39/11/606823911.db2.gz HPKVBDSGFULEGR-OAHLLOKOSA-N -1 3 382.468 2.413 20 10 GECDHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCOc2cc(N(C)C)ccc21 ZINC000824045282 608087553 /nfs/dbraw/zinc/08/75/53/608087553.db2.gz KQRAHOIGZVTFRH-ZDUSSCGKSA-N -1 3 393.451 2.159 20 10 GECDHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCOc2cc(N(C)C)ccc21 ZINC000824045282 608087554 /nfs/dbraw/zinc/08/75/54/608087554.db2.gz KQRAHOIGZVTFRH-ZDUSSCGKSA-N -1 3 393.451 2.159 20 10 GECDHM Cc1cc(C(=O)NCc2cccc(=O)[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259987 609263010 /nfs/dbraw/zinc/26/30/10/609263010.db2.gz PWMBOZMODLILTD-UHFFFAOYSA-N -1 3 389.419 2.305 20 10 GECDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826186849 609483689 /nfs/dbraw/zinc/48/36/89/609483689.db2.gz MSOCKCQCUORQQN-UHFFFAOYSA-N -1 3 384.415 2.463 20 10 GECDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826186849 609483691 /nfs/dbraw/zinc/48/36/91/609483691.db2.gz MSOCKCQCUORQQN-UHFFFAOYSA-N -1 3 384.415 2.463 20 10 GECDHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccn1 ZINC000132479290 643883265 /nfs/dbraw/zinc/88/32/65/643883265.db2.gz FJOBTSGVTSMRQT-HNNXBMFYSA-N -1 3 381.885 2.384 20 10 GECDHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)ccc1O ZINC000271941415 646243156 /nfs/dbraw/zinc/24/31/56/646243156.db2.gz MCMKZLREBPBTQK-UHFFFAOYSA-N -1 3 382.463 2.041 20 10 GECDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000741650010 651954448 /nfs/dbraw/zinc/95/44/48/651954448.db2.gz UDZDLHAORKVATN-UHFFFAOYSA-N -1 3 377.447 2.407 20 10 GECDHM COCCO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000748765925 652215830 /nfs/dbraw/zinc/21/58/30/652215830.db2.gz BNVLBURJRMDAND-ZRDIBKRKSA-N -1 3 386.520 2.424 20 10 GECDHM O=S(=O)(C[C@@H]1CCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751362008 652342693 /nfs/dbraw/zinc/34/26/93/652342693.db2.gz VMWXVPQTBNAANA-CVEARBPZSA-N -1 3 388.917 2.108 20 10 GECDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000763577776 652762322 /nfs/dbraw/zinc/76/23/22/652762322.db2.gz LNTWYLHWPQABEF-UHFFFAOYSA-N -1 3 385.486 2.160 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000809694098 653290187 /nfs/dbraw/zinc/29/01/87/653290187.db2.gz JTASWDKXOIECGO-UHFFFAOYSA-N -1 3 391.331 2.224 20 10 GECDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1c([O-])cccc1Br ZINC000862333952 653683572 /nfs/dbraw/zinc/68/35/72/653683572.db2.gz QCVXGDGKVRZEDM-UHFFFAOYSA-N -1 3 389.290 2.474 20 10 GECDHM O=S(=O)(C1CC1)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000862358223 653683974 /nfs/dbraw/zinc/68/39/74/653683974.db2.gz YKGRLTOBTBDNGJ-UHFFFAOYSA-N -1 3 389.315 2.155 20 10 GECDHM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000785495451 653710568 /nfs/dbraw/zinc/71/05/68/653710568.db2.gz QHEYFSMTQXLNSK-MJEQTWJJSA-N -1 3 388.917 2.107 20 10 GECDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)cc1 ZINC000866424143 653794557 /nfs/dbraw/zinc/79/45/57/653794557.db2.gz FLIRIJHGUOOMPU-XMMPIXPASA-N -1 3 385.486 2.383 20 10 GECDHM COCCNC(=O)C1(NCc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000883145195 653830328 /nfs/dbraw/zinc/83/03/28/653830328.db2.gz RLWMOGXGRZAITE-UHFFFAOYSA-N -1 3 377.666 2.193 20 10 GECDHM CCCS(=O)(=O)NC1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556397 653901819 /nfs/dbraw/zinc/90/18/19/653901819.db2.gz RGHRQXRTUQZHLC-UHFFFAOYSA-N -1 3 391.331 2.449 20 10 GECDHM CCN(C1CCN(Cc2ccc(Br)cc2[O-])CC1)S(C)(=O)=O ZINC000824777144 653908185 /nfs/dbraw/zinc/90/81/85/653908185.db2.gz LGGCNUNAOJPAIK-UHFFFAOYSA-N -1 3 391.331 2.401 20 10 GECDHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000867409254 653928962 /nfs/dbraw/zinc/92/89/62/653928962.db2.gz IGWCKONUVPVZFE-AWEZNQCLSA-N -1 3 375.560 2.334 20 10 GECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825731633 653938844 /nfs/dbraw/zinc/93/88/44/653938844.db2.gz JREPWAXFISISSC-CQSZACIVSA-N -1 3 389.315 2.155 20 10 GECDHM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825883150 653943254 /nfs/dbraw/zinc/94/32/54/653943254.db2.gz SXBXATZOAHJWDG-CYBMUJFWSA-N -1 3 377.304 2.011 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000797432519 654031626 /nfs/dbraw/zinc/03/16/26/654031626.db2.gz HBHNIEMLIHKKCX-UHFFFAOYSA-N -1 3 375.859 2.017 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(F)c1 ZINC000830150656 654101884 /nfs/dbraw/zinc/10/18/84/654101884.db2.gz LOTQBOXWWKBLBC-CYBMUJFWSA-N -1 3 394.490 2.288 20 10 GECDHM COCCNS(=O)(=O)c1cccc(CNCc2cccc(Cl)c2[O-])c1 ZINC000182362997 532312317 /nfs/dbraw/zinc/31/23/17/532312317.db2.gz QFZIHDBUGNKLOE-UHFFFAOYSA-N -1 3 384.885 2.260 20 10 GECDHM C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271225325 532805040 /nfs/dbraw/zinc/80/50/40/532805040.db2.gz BYHLAFUJJOEBDY-JTQLQIEISA-N -1 3 382.463 2.217 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000288586346 532832774 /nfs/dbraw/zinc/83/27/74/532832774.db2.gz HVPDKPSZYJKGBK-CQSZACIVSA-N -1 3 399.285 2.189 20 10 GECDHM CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000289268676 532851703 /nfs/dbraw/zinc/85/17/03/532851703.db2.gz GDWXFEOITWGVRS-UHFFFAOYSA-N -1 3 389.901 2.296 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000368316110 532931499 /nfs/dbraw/zinc/93/14/99/532931499.db2.gz FBVLRHQVZBBBSL-MFKMUULPSA-N -1 3 379.258 2.344 20 10 GECDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(OC)ccc1O ZINC000736635547 598923252 /nfs/dbraw/zinc/92/32/52/598923252.db2.gz WZQWDGSPLFKVCN-UHFFFAOYSA-N -1 3 384.396 2.301 20 10 GECDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(OC)ccc1O ZINC000736635547 598923253 /nfs/dbraw/zinc/92/32/53/598923253.db2.gz WZQWDGSPLFKVCN-UHFFFAOYSA-N -1 3 384.396 2.301 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233367 599102614 /nfs/dbraw/zinc/10/26/14/599102614.db2.gz IZEHKXYTJMLUIG-ZDUSSCGKSA-N -1 3 390.451 2.499 20 10 GECDHM Cc1cc(C(=O)NC[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233997 598610571 /nfs/dbraw/zinc/61/05/71/598610571.db2.gz IYKCSQJJUABWHD-HNNXBMFYSA-N -1 3 380.452 2.431 20 10 GECDHM CCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736470317 598717912 /nfs/dbraw/zinc/71/79/12/598717912.db2.gz NIOSIRQBMFQPMS-UHFFFAOYSA-N -1 3 396.451 2.299 20 10 GECDHM COC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736911824 598750250 /nfs/dbraw/zinc/75/02/50/598750250.db2.gz WSMXKODOKTWSOO-QGZVFWFLSA-N -1 3 394.435 2.052 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000737106225 598782506 /nfs/dbraw/zinc/78/25/06/598782506.db2.gz QBRPAMMJMLIPGO-JTQLQIEISA-N -1 3 384.396 2.472 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000737106225 598782507 /nfs/dbraw/zinc/78/25/07/598782507.db2.gz QBRPAMMJMLIPGO-JTQLQIEISA-N -1 3 384.396 2.472 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821610969 599458828 /nfs/dbraw/zinc/45/88/28/599458828.db2.gz LWVMFVVIYHHGPL-UHFFFAOYSA-N -1 3 383.431 2.413 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821610969 599458830 /nfs/dbraw/zinc/45/88/30/599458830.db2.gz LWVMFVVIYHHGPL-UHFFFAOYSA-N -1 3 383.431 2.413 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1F ZINC000821832017 606624896 /nfs/dbraw/zinc/62/48/96/606624896.db2.gz WHMGPZHGHJZTBD-UHFFFAOYSA-N -1 3 388.428 2.038 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1F ZINC000821832017 606624898 /nfs/dbraw/zinc/62/48/98/606624898.db2.gz WHMGPZHGHJZTBD-UHFFFAOYSA-N -1 3 388.428 2.038 20 10 GECDHM Cc1cc(C(=O)N[C@@](C)(CO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258622 607994402 /nfs/dbraw/zinc/99/44/02/607994402.db2.gz PZRDODYEWCHLOU-FQEVSTJZSA-N -1 3 380.452 2.165 20 10 GECDHM Cc1cc(C(=O)NCc2nnc(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826335706 609179263 /nfs/dbraw/zinc/17/92/63/609179263.db2.gz YEEVSASIQBITBB-UHFFFAOYSA-N -1 3 394.464 2.364 20 10 GECDHM Cc1cc(C(=O)Nc2cnccc2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261215 609261728 /nfs/dbraw/zinc/26/17/28/609261728.db2.gz VYXOXZGHYAZVMD-UHFFFAOYSA-N -1 3 389.419 2.414 20 10 GECDHM NS(=O)(=O)c1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000128966112 643815973 /nfs/dbraw/zinc/81/59/73/643815973.db2.gz YSQPWCWDYFKANW-UHFFFAOYSA-N -1 3 381.885 2.015 20 10 GECDHM COc1ccnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000129580212 643823163 /nfs/dbraw/zinc/82/31/63/643823163.db2.gz SEQPNVBUINTZHF-UHFFFAOYSA-N -1 3 379.258 2.276 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000369381524 647775759 /nfs/dbraw/zinc/77/57/59/647775759.db2.gz LDLQQXJICBZLGW-NSHDSACASA-N -1 3 381.479 2.240 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nc3c(s2)CCCC3)c1 ZINC000748305968 652198238 /nfs/dbraw/zinc/19/82/38/652198238.db2.gz FEVCUOIJFOMINC-UHFFFAOYSA-N -1 3 381.479 2.029 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000809689340 653289659 /nfs/dbraw/zinc/28/96/59/653289659.db2.gz YFRSABZMJFBRPM-CYBMUJFWSA-N -1 3 391.331 2.319 20 10 GECDHM O=S(=O)(NC[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)C1CC1 ZINC000809784782 653294938 /nfs/dbraw/zinc/29/49/38/653294938.db2.gz NFKUEKZYDHVLEU-NSHDSACASA-N -1 3 376.881 2.479 20 10 GECDHM CCc1nc(S(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)cn1CC1CC1 ZINC000857225887 653301312 /nfs/dbraw/zinc/30/13/12/653301312.db2.gz WGZAKBXJAZVYLV-UHFFFAOYSA-N -1 3 378.483 2.166 20 10 GECDHM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862251280 653682152 /nfs/dbraw/zinc/68/21/52/653682152.db2.gz ZMPYFBXIEGUHNO-CQSZACIVSA-N -1 3 396.329 2.283 20 10 GECDHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000895202452 653822822 /nfs/dbraw/zinc/82/28/22/653822822.db2.gz OLRQYDDVXXQPAS-LBPRGKRZSA-N -1 3 375.288 2.373 20 10 GECDHM Cn1cc([C@@H]2C[S@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000895378219 653831035 /nfs/dbraw/zinc/83/10/35/653831035.db2.gz HZTWOXXWWZUIOE-RCDICMHDSA-N -1 3 384.299 2.194 20 10 GECDHM Cn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000895376830 653831080 /nfs/dbraw/zinc/83/10/80/653831080.db2.gz ZRDJDPHZTHSWCJ-JLCFBVMHSA-N -1 3 384.299 2.194 20 10 GECDHM Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000895378216 653831195 /nfs/dbraw/zinc/83/11/95/653831195.db2.gz HZTWOXXWWZUIOE-FPTDNZKUSA-N -1 3 384.299 2.194 20 10 GECDHM O=C(NCCCSc1nccs1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823196591 653857242 /nfs/dbraw/zinc/85/72/42/653857242.db2.gz IWJQRNBIAPYAOJ-UHFFFAOYSA-N -1 3 381.874 2.284 20 10 GECDHM O=C(NCCCSc1nccs1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823196591 653857244 /nfs/dbraw/zinc/85/72/44/653857244.db2.gz IWJQRNBIAPYAOJ-UHFFFAOYSA-N -1 3 381.874 2.284 20 10 GECDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000884971655 653902211 /nfs/dbraw/zinc/90/22/11/653902211.db2.gz FOGGVKQHJBCEGY-UHFFFAOYSA-N -1 3 381.885 2.359 20 10 GECDHM Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898155943 653955917 /nfs/dbraw/zinc/95/59/17/653955917.db2.gz BPUCMYXGQJYCQE-LBPRGKRZSA-N -1 3 379.258 2.327 20 10 GECDHM COc1cc(Br)cc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC000848640330 653989590 /nfs/dbraw/zinc/98/95/90/653989590.db2.gz PZBRGOHIYWUIIG-ZDUSSCGKSA-N -1 3 381.226 2.344 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000797432753 654031562 /nfs/dbraw/zinc/03/15/62/654031562.db2.gz QWPYAIIKZQDCRV-UHFFFAOYSA-N -1 3 393.849 2.156 20 10 GECDHM Cc1cc(Br)c([O-])c(CNc2ccn(CCN3CC[NH+]=C3[O-])n2)c1 ZINC000922588544 654401652 /nfs/dbraw/zinc/40/16/52/654401652.db2.gz LEKNPDQDDSFUQJ-UHFFFAOYSA-N -1 3 394.273 2.297 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054855 532339724 /nfs/dbraw/zinc/33/97/24/532339724.db2.gz BVRCPNVIBQWXEX-IINYFYTJSA-N -1 3 379.258 2.344 20 10 GECDHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000371954067 532364771 /nfs/dbraw/zinc/36/47/71/532364771.db2.gz NISVCFMNVDVCDA-HOTGVXAUSA-N -1 3 388.917 2.108 20 10 GECDHM Cc1nn(C)c(N2CCOCC2)c1CNCc1cccc(Br)c1[O-] ZINC000278419284 532380126 /nfs/dbraw/zinc/38/01/26/532380126.db2.gz RENTXPDMOZSZMT-UHFFFAOYSA-N -1 3 395.301 2.323 20 10 GECDHM C[C@@H](N[C@@H]1COC[C@H]1O)c1cc(Br)cc(Br)c1[O-] ZINC000296026569 532495143 /nfs/dbraw/zinc/49/51/43/532495143.db2.gz SKEAIXGTELRNCU-DIMCTHFVSA-N -1 3 381.064 2.328 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCCSC ZINC000283759924 532555608 /nfs/dbraw/zinc/55/56/08/532555608.db2.gz MSMIVMZWMTZZGB-UHFFFAOYSA-N -1 3 389.315 2.373 20 10 GECDHM CC[C@@H](COC)NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000284263824 532583318 /nfs/dbraw/zinc/58/33/18/532583318.db2.gz VXZTXSGYJSBBJX-ZDUSSCGKSA-N -1 3 387.274 2.044 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])[C@H](C(=O)OC)C1 ZINC000272507605 532816249 /nfs/dbraw/zinc/81/62/49/532816249.db2.gz IFYKBYYWAMYCAG-MFKMUULPSA-N -1 3 386.242 2.081 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000365785468 532911982 /nfs/dbraw/zinc/91/19/82/532911982.db2.gz FSCPLCGFHNKMNP-AWEZNQCLSA-N -1 3 391.221 2.174 20 10 GECDHM COc1ccc(O)c(CNC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737107058 598921688 /nfs/dbraw/zinc/92/16/88/598921688.db2.gz ZSELMUWZENEIGA-GOSISDBHSA-N -1 3 397.435 2.301 20 10 GECDHM COc1ccc(O)c(CNC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737107058 598921689 /nfs/dbraw/zinc/92/16/89/598921689.db2.gz ZSELMUWZENEIGA-GOSISDBHSA-N -1 3 397.435 2.301 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233355 599102344 /nfs/dbraw/zinc/10/23/44/599102344.db2.gz IZEHKXYTJMLUIG-CYBMUJFWSA-N -1 3 390.451 2.499 20 10 GECDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(OC)c1O ZINC000736634109 598263878 /nfs/dbraw/zinc/26/38/78/598263878.db2.gz HRJXOEMPQIICJZ-UHFFFAOYSA-N -1 3 384.396 2.301 20 10 GECDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(OC)c1O ZINC000736634109 598263880 /nfs/dbraw/zinc/26/38/80/598263880.db2.gz HRJXOEMPQIICJZ-UHFFFAOYSA-N -1 3 384.396 2.301 20 10 GECDHM Cc1cc(C(=O)NCCOCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237018 598496783 /nfs/dbraw/zinc/49/67/83/598496783.db2.gz ZKKNUBGCZCTJEV-UHFFFAOYSA-N -1 3 380.452 2.431 20 10 GECDHM CCOC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736586917 598622870 /nfs/dbraw/zinc/62/28/70/598622870.db2.gz QZZSAJURGKTUBM-ZDUSSCGKSA-N -1 3 383.408 2.383 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822205738 599454262 /nfs/dbraw/zinc/45/42/62/599454262.db2.gz HAZYFIWTRQCBHU-UHFFFAOYSA-N -1 3 395.467 2.119 20 10 GECDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823009582 599488705 /nfs/dbraw/zinc/48/87/05/599488705.db2.gz NUGYSHQMUPRCQX-UHFFFAOYSA-N -1 3 378.436 2.179 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@](CC)(C(=O)[O-])c1ccccc1)cc2=O ZINC000737155358 600130698 /nfs/dbraw/zinc/13/06/98/600130698.db2.gz UCGDJZKSLVZSBB-FQEVSTJZSA-N -1 3 398.419 2.091 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000821831873 606506058 /nfs/dbraw/zinc/50/60/58/606506058.db2.gz QNLHZPLOFWPDLT-UHFFFAOYSA-N -1 3 384.465 2.336 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000821831873 606506060 /nfs/dbraw/zinc/50/60/60/606506060.db2.gz QNLHZPLOFWPDLT-UHFFFAOYSA-N -1 3 384.465 2.336 20 10 GECDHM COCCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000821689238 606928462 /nfs/dbraw/zinc/92/84/62/606928462.db2.gz QYZMWBUYWFKEJW-KRWDZBQOSA-N -1 3 399.451 2.070 20 10 GECDHM COCCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821689238 606928463 /nfs/dbraw/zinc/92/84/63/606928463.db2.gz QYZMWBUYWFKEJW-KRWDZBQOSA-N -1 3 399.451 2.070 20 10 GECDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1ccon1 ZINC000823505310 606975976 /nfs/dbraw/zinc/97/59/76/606975976.db2.gz ZVNPFEBLEDSUQF-ONNFQVAWSA-N -1 3 376.448 2.318 20 10 GECDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1Cc1ccon1 ZINC000823505310 606975978 /nfs/dbraw/zinc/97/59/78/606975978.db2.gz ZVNPFEBLEDSUQF-ONNFQVAWSA-N -1 3 376.448 2.318 20 10 GECDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1O ZINC000826216076 608377460 /nfs/dbraw/zinc/37/74/60/608377460.db2.gz JPBYGMMMBKMRRB-UHFFFAOYSA-N -1 3 384.346 2.441 20 10 GECDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1O ZINC000826216076 608377462 /nfs/dbraw/zinc/37/74/62/608377462.db2.gz JPBYGMMMBKMRRB-UHFFFAOYSA-N -1 3 384.346 2.441 20 10 GECDHM Cc1cc(C(=O)N[C@@H](CO)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258768 608472896 /nfs/dbraw/zinc/47/28/96/608472896.db2.gz VXRLOCJVBYQHSY-MRXNPFEDSA-N -1 3 382.468 2.411 20 10 GECDHM CCN(C1CCN(Cc2cccc(Br)c2[O-])CC1)S(C)(=O)=O ZINC000093320712 643076133 /nfs/dbraw/zinc/07/61/33/643076133.db2.gz UFVZPPSITBNDJH-UHFFFAOYSA-N -1 3 391.331 2.401 20 10 GECDHM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093843136 643080709 /nfs/dbraw/zinc/08/07/09/643080709.db2.gz IHUTVMZEZZYENA-AWEZNQCLSA-N -1 3 396.329 2.283 20 10 GECDHM COCCCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120113624 643592751 /nfs/dbraw/zinc/59/27/51/643592751.db2.gz DSJSHUCZLDOHGY-CQSZACIVSA-N -1 3 392.315 2.180 20 10 GECDHM COC(=O)CN(CC(=O)N(C)c1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000264618778 645696836 /nfs/dbraw/zinc/69/68/36/645696836.db2.gz QHMHSCXLWSGDSD-UHFFFAOYSA-N -1 3 383.857 2.140 20 10 GECDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000271338466 646193178 /nfs/dbraw/zinc/19/31/78/646193178.db2.gz TWNCOQDDCDEASY-UHFFFAOYSA-N -1 3 382.463 2.184 20 10 GECDHM CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000809689325 653289336 /nfs/dbraw/zinc/28/93/36/653289336.db2.gz XQWFJFGJQXRVPR-LBPRGKRZSA-N -1 3 377.304 2.011 20 10 GECDHM CN(C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1)S(C)(=O)=O ZINC000809688301 653289890 /nfs/dbraw/zinc/28/98/90/653289890.db2.gz GSJMLXBMPOGWLN-LBPRGKRZSA-N -1 3 391.331 2.258 20 10 GECDHM COC(C)(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809819363 653300969 /nfs/dbraw/zinc/30/09/69/653300969.db2.gz RESLRGHZDADWQO-HNNXBMFYSA-N -1 3 390.933 2.354 20 10 GECDHM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862362741 653684387 /nfs/dbraw/zinc/68/43/87/653684387.db2.gz FDQOROJDSDVUEQ-LLVKDONJSA-N -1 3 377.304 2.011 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000816642426 653689581 /nfs/dbraw/zinc/68/95/81/653689581.db2.gz ZDRWFMOSMAQFHX-AWEZNQCLSA-N -1 3 381.274 2.384 20 10 GECDHM CCN(CC)S(=O)(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909223 653700338 /nfs/dbraw/zinc/70/03/38/653700338.db2.gz CSBQDSMXSKUADM-UHFFFAOYSA-N -1 3 375.922 2.058 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000818322117 653729847 /nfs/dbraw/zinc/72/98/47/653729847.db2.gz KQWNDAAATZSQMR-JTQLQIEISA-N -1 3 395.384 2.254 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c(F)c1 ZINC000842587174 653760262 /nfs/dbraw/zinc/76/02/62/653760262.db2.gz XLOZCLGUXKQVNM-OAHLLOKOSA-N -1 3 394.490 2.144 20 10 GECDHM O=S1(=O)CCCN1C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000826121310 653946820 /nfs/dbraw/zinc/94/68/20/653946820.db2.gz PDURAGZARXVBMW-UHFFFAOYSA-N -1 3 389.315 2.155 20 10 GECDHM O=C(NCc1cc(Br)ccc1O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000796642230 654002987 /nfs/dbraw/zinc/00/29/87/654002987.db2.gz OFRRGKDLMFTGIR-UHFFFAOYSA-N -1 3 390.193 2.360 20 10 GECDHM C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000903225545 654228527 /nfs/dbraw/zinc/22/85/27/654228527.db2.gz JAENXAXNSSVLHW-SECBINFHSA-N -1 3 388.433 2.119 20 10 GECDHM COc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000913972619 654819731 /nfs/dbraw/zinc/81/97/31/654819731.db2.gz WEOXKTFOGZLYGI-GFCCVEGCSA-N -1 3 383.495 2.028 20 10 GECDHM C[C@H](N[C@@H]1COC[C@H]1O)c1cc(Br)cc(Br)c1[O-] ZINC000296026572 532494930 /nfs/dbraw/zinc/49/49/30/532494930.db2.gz SKEAIXGTELRNCU-MQOMDTIOSA-N -1 3 381.064 2.328 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COCc1ccnn1C ZINC000284727804 532614415 /nfs/dbraw/zinc/61/44/15/532614415.db2.gz GGGYFTYCGWVKHH-UHFFFAOYSA-N -1 3 382.258 2.454 20 10 GECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000360001707 532888807 /nfs/dbraw/zinc/88/88/07/532888807.db2.gz WJTUITREDZRSBX-CHWSQXEVSA-N -1 3 388.258 2.316 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000737224772 598999420 /nfs/dbraw/zinc/99/94/20/598999420.db2.gz FXTVQCKMJLTYNH-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000737224772 598999422 /nfs/dbraw/zinc/99/94/22/598999422.db2.gz FXTVQCKMJLTYNH-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738103633 599014764 /nfs/dbraw/zinc/01/47/64/599014764.db2.gz MZUMAFFHXVQXGM-UHFFFAOYSA-N -1 3 393.426 2.381 20 10 GECDHM O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738103633 599014765 /nfs/dbraw/zinc/01/47/65/599014765.db2.gz MZUMAFFHXVQXGM-UHFFFAOYSA-N -1 3 393.426 2.381 20 10 GECDHM COCCN(CCOC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736995852 598609316 /nfs/dbraw/zinc/60/93/16/598609316.db2.gz YJYOCNUWKRTPDO-UHFFFAOYSA-N -1 3 398.467 2.009 20 10 GECDHM Cc1cc(C(=O)OCc2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737523594 598622288 /nfs/dbraw/zinc/62/22/88/598622288.db2.gz VZKGRKCOUCYITA-UHFFFAOYSA-N -1 3 379.380 2.323 20 10 GECDHM COc1cccc(O)c1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821872428 599460251 /nfs/dbraw/zinc/46/02/51/599460251.db2.gz MJQJWZOTKZRLBJ-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM COc1cccc(O)c1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821872428 599460253 /nfs/dbraw/zinc/46/02/53/599460253.db2.gz MJQJWZOTKZRLBJ-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM Cc1cc(C(=O)NC[C@](C)(O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168026 599489100 /nfs/dbraw/zinc/48/91/00/599489100.db2.gz KXQDREYEBGDFFV-FQEVSTJZSA-N -1 3 382.468 2.411 20 10 GECDHM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000737500217 600011938 /nfs/dbraw/zinc/01/19/38/600011938.db2.gz HIOYXRFQCQQSND-GQCTYLIASA-N -1 3 399.451 2.490 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2)C1 ZINC000833081025 600742060 /nfs/dbraw/zinc/74/20/60/600742060.db2.gz TUKGJPIRYXPTAL-DNVCBOLYSA-N -1 3 385.439 2.443 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-])cc2=O ZINC000829890389 601201894 /nfs/dbraw/zinc/20/18/94/601201894.db2.gz QFPXXYFBZSSRLJ-SJCJKPOMSA-N -1 3 398.419 2.163 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cc2)C1 ZINC000831177893 603542768 /nfs/dbraw/zinc/54/27/68/603542768.db2.gz CLXMUZAEWILVPC-INIZCTEOSA-N -1 3 383.452 2.163 20 10 GECDHM COc1ccc(O)c([C@H](C)NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000833733938 605127825 /nfs/dbraw/zinc/12/78/25/605127825.db2.gz WAASDOHZPPWZMO-UGSOOPFHSA-N -1 3 384.432 2.090 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821660523 606334636 /nfs/dbraw/zinc/33/46/36/606334636.db2.gz UTZRNBJVFKLKJI-POHAHGRESA-N -1 3 395.491 2.083 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821660523 606334637 /nfs/dbraw/zinc/33/46/37/606334637.db2.gz UTZRNBJVFKLKJI-POHAHGRESA-N -1 3 395.491 2.083 20 10 GECDHM Cc1cc(C(=O)N(C)C[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167378 606586177 /nfs/dbraw/zinc/58/61/77/606586177.db2.gz DMIRJEJPWUCKJV-HNNXBMFYSA-N -1 3 380.452 2.383 20 10 GECDHM CN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc2c(c1)OCO2 ZINC000825999161 607927377 /nfs/dbraw/zinc/92/73/77/607927377.db2.gz OKHWXTBSZIJHQJ-UHFFFAOYSA-N -1 3 377.364 2.282 20 10 GECDHM CN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc2c(c1)OCO2 ZINC000825999161 607927378 /nfs/dbraw/zinc/92/73/78/607927378.db2.gz OKHWXTBSZIJHQJ-UHFFFAOYSA-N -1 3 377.364 2.282 20 10 GECDHM COc1ccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1F ZINC000826209568 608401413 /nfs/dbraw/zinc/40/14/13/608401413.db2.gz HXHJYFNEBWDHNJ-UHFFFAOYSA-N -1 3 386.406 2.476 20 10 GECDHM COc1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cc1F ZINC000826209568 608401414 /nfs/dbraw/zinc/40/14/14/608401414.db2.gz HXHJYFNEBWDHNJ-UHFFFAOYSA-N -1 3 386.406 2.476 20 10 GECDHM COC(=O)CN(CC(=O)NCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000109779604 643301294 /nfs/dbraw/zinc/30/12/94/643301294.db2.gz AXENRMBXFDWUMS-UHFFFAOYSA-N -1 3 382.869 2.399 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000326446224 647304662 /nfs/dbraw/zinc/30/46/62/647304662.db2.gz BWJDLGZLSYTQTQ-UHFFFAOYSA-N -1 3 382.463 2.452 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000365931243 647689322 /nfs/dbraw/zinc/68/93/22/647689322.db2.gz XZVUOTDNYMBJJR-AWEZNQCLSA-N -1 3 391.221 2.174 20 10 GECDHM CS(=O)(=O)NC[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000768341405 653110650 /nfs/dbraw/zinc/11/06/50/653110650.db2.gz JPHJOWWVKMTYFW-CYBMUJFWSA-N -1 3 377.304 2.058 20 10 GECDHM O=S(=O)(NC1CCCC1)C1CN(Cc2c([O-])cccc2Br)C1 ZINC000862308804 653682964 /nfs/dbraw/zinc/68/29/64/653682964.db2.gz IRPDCEBYTFDZGA-UHFFFAOYSA-N -1 3 389.315 2.201 20 10 GECDHM CN(C)S(=O)(=O)[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862362742 653684434 /nfs/dbraw/zinc/68/44/34/653684434.db2.gz FDQOROJDSDVUEQ-NSHDSACASA-N -1 3 377.304 2.011 20 10 GECDHM CN(Cc1c([O-])cccc1Br)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000862383788 653684855 /nfs/dbraw/zinc/68/48/55/653684855.db2.gz ZOANQUVSJAUQRZ-LLVKDONJSA-N -1 3 389.290 2.472 20 10 GECDHM COCCNC(=O)C1(N[C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000840821296 653695445 /nfs/dbraw/zinc/69/54/45/653695445.db2.gz BUHIDECPJRAQNN-VIFPVBQESA-N -1 3 375.238 2.240 20 10 GECDHM O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc(O)c1[O-] ZINC000817028832 653698540 /nfs/dbraw/zinc/69/85/40/653698540.db2.gz QAYIEQZMTJCEPO-GFCCVEGCSA-N -1 3 377.194 2.006 20 10 GECDHM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1c([O-])cccc1F ZINC000896642534 653889308 /nfs/dbraw/zinc/88/93/08/653889308.db2.gz ZMUUQVDMKCIWEI-LLVKDONJSA-N -1 3 387.864 2.339 20 10 GECDHM COCCCN(Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824535027 653900605 /nfs/dbraw/zinc/90/06/05/653900605.db2.gz MRBXUWYEQGPYIS-AWEZNQCLSA-N -1 3 392.315 2.180 20 10 GECDHM CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000824560733 653901659 /nfs/dbraw/zinc/90/16/59/653901659.db2.gz KVXGSEUJVDLQKZ-ZDUSSCGKSA-N -1 3 377.304 2.058 20 10 GECDHM Cc1cc([O-])c(CN2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1Cl ZINC000824912812 653912334 /nfs/dbraw/zinc/91/23/34/653912334.db2.gz AHEHNLUDVPXEFX-UHFFFAOYSA-N -1 3 390.933 2.226 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCSCCC(F)(F)F)c1 ZINC000825756960 653939621 /nfs/dbraw/zinc/93/96/21/653939621.db2.gz HMKIEEOKRYTHQK-UHFFFAOYSA-N -1 3 386.417 2.179 20 10 GECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1Cl ZINC000826123160 653947105 /nfs/dbraw/zinc/94/71/05/653947105.db2.gz IEYXVOXDWQKCGL-CQSZACIVSA-N -1 3 389.901 2.295 20 10 GECDHM Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898155942 653955742 /nfs/dbraw/zinc/95/57/42/653955742.db2.gz BPUCMYXGQJYCQE-GFCCVEGCSA-N -1 3 379.258 2.327 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000828541635 654041384 /nfs/dbraw/zinc/04/13/84/654041384.db2.gz UAXWUPMKPZWHOE-VXGBXAGGSA-N -1 3 378.372 2.391 20 10 GECDHM C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(C(F)(F)F)c1[O-] ZINC000903225546 654228442 /nfs/dbraw/zinc/22/84/42/654228442.db2.gz JAENXAXNSSVLHW-VIFPVBQESA-N -1 3 388.433 2.119 20 10 GECDHM Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000121337030 532023678 /nfs/dbraw/zinc/02/36/78/532023678.db2.gz YPYPTQCQGIELQZ-UHFFFAOYSA-N -1 3 385.873 2.157 20 10 GECDHM O=C1NCCC[C@@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000295006751 532396647 /nfs/dbraw/zinc/39/66/47/532396647.db2.gz IZZHKVKFRUSYJN-JTQLQIEISA-N -1 3 378.064 2.285 20 10 GECDHM CCCOc1ccc(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([O-])c1 ZINC000285493154 532684500 /nfs/dbraw/zinc/68/45/00/532684500.db2.gz MFJOPFOLYPTTIF-AWEZNQCLSA-N -1 3 384.420 2.093 20 10 GECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000285527635 532688131 /nfs/dbraw/zinc/68/81/31/532688131.db2.gz HDKYMSDEQUTNAL-ZDUSSCGKSA-N -1 3 388.917 2.352 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@H]1CCSC1 ZINC000287065192 532781390 /nfs/dbraw/zinc/78/13/90/532781390.db2.gz UDMNIKDCQSUMGS-LBPRGKRZSA-N -1 3 387.299 2.125 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@@H](C)SC ZINC000288053751 532816250 /nfs/dbraw/zinc/81/62/50/532816250.db2.gz FGQQTPIRDJKGQZ-SNVBAGLBSA-N -1 3 389.315 2.371 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2c2nccs2)c1 ZINC000274626919 532853068 /nfs/dbraw/zinc/85/30/68/532853068.db2.gz RJNKLGVSEXMKCP-GFCCVEGCSA-N -1 3 399.519 2.151 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1cnc(C)nc1 ZINC000275856584 532884683 /nfs/dbraw/zinc/88/46/83/532884683.db2.gz CEHAEOVZUAMLHA-UHFFFAOYSA-N -1 3 393.241 2.240 20 10 GECDHM COC(=O)CC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736912895 599042001 /nfs/dbraw/zinc/04/20/01/599042001.db2.gz SVZZCPGCRMUKMK-UHFFFAOYSA-N -1 3 396.451 2.346 20 10 GECDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820542370 599216219 /nfs/dbraw/zinc/21/62/19/599216219.db2.gz NKPGFZUFOAUSMY-CYBMUJFWSA-N -1 3 394.435 2.126 20 10 GECDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820542370 599216222 /nfs/dbraw/zinc/21/62/22/599216222.db2.gz NKPGFZUFOAUSMY-CYBMUJFWSA-N -1 3 394.435 2.126 20 10 GECDHM Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737255757 598315949 /nfs/dbraw/zinc/31/59/49/598315949.db2.gz FBNSLYVHQOJSPQ-UHFFFAOYSA-N -1 3 375.849 2.240 20 10 GECDHM Cc1cc(C)[nH]c(=NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737255757 598315951 /nfs/dbraw/zinc/31/59/51/598315951.db2.gz FBNSLYVHQOJSPQ-UHFFFAOYSA-N -1 3 375.849 2.240 20 10 GECDHM Cc1cc(C(=O)Nc2c[nH]ccc2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237689 598619158 /nfs/dbraw/zinc/61/91/58/598619158.db2.gz CCRPSHCVGPPVDW-UHFFFAOYSA-N -1 3 375.392 2.215 20 10 GECDHM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1OC ZINC000821828350 607364643 /nfs/dbraw/zinc/36/46/43/607364643.db2.gz TXGTXZJPPBZUSY-UHFFFAOYSA-N -1 3 386.412 2.169 20 10 GECDHM COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826198001 607576082 /nfs/dbraw/zinc/57/60/82/607576082.db2.gz JBOJMQUWMTWYDJ-UHFFFAOYSA-N -1 3 395.467 2.283 20 10 GECDHM COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826198001 607576084 /nfs/dbraw/zinc/57/60/84/607576084.db2.gz JBOJMQUWMTWYDJ-UHFFFAOYSA-N -1 3 395.467 2.283 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1-c1nnn[n-]1 ZINC000826303500 607602503 /nfs/dbraw/zinc/60/25/03/607602503.db2.gz RVOOZZVGVFYJJW-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1-c1nn[n-]n1 ZINC000826303500 607602504 /nfs/dbraw/zinc/60/25/04/607602504.db2.gz RVOOZZVGVFYJJW-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM O=C(COc1ccc(N2CCCC2)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823040532 606617524 /nfs/dbraw/zinc/61/75/24/606617524.db2.gz MRDXIIDOYURYLH-UHFFFAOYSA-N -1 3 378.436 2.162 20 10 GECDHM O=C(COc1ccc(N2CCCC2)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823040532 606617526 /nfs/dbraw/zinc/61/75/26/606617526.db2.gz MRDXIIDOYURYLH-UHFFFAOYSA-N -1 3 378.436 2.162 20 10 GECDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000821412584 606770150 /nfs/dbraw/zinc/77/01/50/606770150.db2.gz PBOUWBZHWVDEKA-UHFFFAOYSA-N -1 3 384.396 2.041 20 10 GECDHM Cc1cc(C(=O)N2CC[C@H](CCO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257669 607994966 /nfs/dbraw/zinc/99/49/66/607994966.db2.gz LCIJBEKEQRPGNN-OAHLLOKOSA-N -1 3 380.452 2.119 20 10 GECDHM CC[C@H](OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000825155032 608104079 /nfs/dbraw/zinc/10/40/79/608104079.db2.gz XMXZBEWPEFNWEK-INIZCTEOSA-N -1 3 383.408 2.383 20 10 GECDHM Cc1cc(C(=O)N2CCC[C@](C)(O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257711 608385852 /nfs/dbraw/zinc/38/58/52/608385852.db2.gz MSACSYGJCYJJJH-FQEVSTJZSA-N -1 3 380.452 2.261 20 10 GECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824293435 609207220 /nfs/dbraw/zinc/20/72/20/609207220.db2.gz LQLQDMOUMHSDAD-LJQANCHMSA-N -1 3 394.479 2.403 20 10 GECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824293435 609207221 /nfs/dbraw/zinc/20/72/21/609207221.db2.gz LQLQDMOUMHSDAD-LJQANCHMSA-N -1 3 394.479 2.403 20 10 GECDHM CCN1C(=O)C(=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000825445259 609302519 /nfs/dbraw/zinc/30/25/19/609302519.db2.gz YOBAKUMKTMEBCN-JYRVWZFOSA-N -1 3 397.489 2.488 20 10 GECDHM CCN1C(=O)C(=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000825445259 609302522 /nfs/dbraw/zinc/30/25/22/609302522.db2.gz YOBAKUMKTMEBCN-JYRVWZFOSA-N -1 3 397.489 2.488 20 10 GECDHM Cc1cc(C(=O)O[C@H]2CCCN(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260932 609466796 /nfs/dbraw/zinc/46/67/96/609466796.db2.gz KKHYDYGARIBOQH-KRWDZBQOSA-N -1 3 394.435 2.052 20 10 GECDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)s1 ZINC000735315184 651777171 /nfs/dbraw/zinc/77/71/71/651777171.db2.gz FUQQFCHMKNUBTN-UHFFFAOYSA-N -1 3 378.522 2.452 20 10 GECDHM Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751358713 652342652 /nfs/dbraw/zinc/34/26/52/652342652.db2.gz GDVHGGZTWALCDR-CQSZACIVSA-N -1 3 384.889 2.020 20 10 GECDHM COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(Br)c1[O-] ZINC000761013792 652630239 /nfs/dbraw/zinc/63/02/39/652630239.db2.gz YJPXHLGMRFIOEB-FLIBITNWSA-N -1 3 399.266 2.466 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000766009060 652862279 /nfs/dbraw/zinc/86/22/79/652862279.db2.gz IVDGDBRXWIIEFI-UHFFFAOYSA-N -1 3 395.257 2.379 20 10 GECDHM COCC[C@H](C)S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000766504260 652883196 /nfs/dbraw/zinc/88/31/96/652883196.db2.gz ZIZNLAPLVCZHON-BBRMVZONSA-N -1 3 390.933 2.354 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000808111898 653219090 /nfs/dbraw/zinc/21/90/90/653219090.db2.gz URVZPIYLPRFKBP-UHFFFAOYSA-N -1 3 391.421 2.301 20 10 GECDHM COC(=O)C1=NO[C@]2(CCN(Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714070 653617397 /nfs/dbraw/zinc/61/73/97/653617397.db2.gz LDGDOGFEMNJLKS-MRXNPFEDSA-N -1 3 383.242 2.357 20 10 GECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(C)c1F ZINC000782910936 653672077 /nfs/dbraw/zinc/67/20/77/653672077.db2.gz QRAGSGCBMOORRJ-UHFFFAOYSA-N -1 3 388.442 2.315 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c(F)c1 ZINC000842585491 653760032 /nfs/dbraw/zinc/76/00/32/653760032.db2.gz ATILZWZBICFGLI-HNNXBMFYSA-N -1 3 396.506 2.390 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c(F)c1 ZINC000842587173 653760248 /nfs/dbraw/zinc/76/02/48/653760248.db2.gz XLOZCLGUXKQVNM-HNNXBMFYSA-N -1 3 394.490 2.144 20 10 GECDHM Cn1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1Br ZINC000866485697 653798232 /nfs/dbraw/zinc/79/82/32/653798232.db2.gz PUBVOAYCWJMIFC-UHFFFAOYSA-N -1 3 399.314 2.261 20 10 GECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(CO)n1 ZINC000866765594 653821508 /nfs/dbraw/zinc/82/15/08/653821508.db2.gz ZSMNMKVUWXFDJC-ZDUSSCGKSA-N -1 3 381.885 2.389 20 10 GECDHM Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000895376832 653831185 /nfs/dbraw/zinc/83/11/85/653831185.db2.gz ZRDJDPHZTHSWCJ-RCDICMHDSA-N -1 3 384.299 2.194 20 10 GECDHM COCCOCCN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000846115794 653887700 /nfs/dbraw/zinc/88/77/00/653887700.db2.gz AZINYQSXBJHIOR-UHFFFAOYSA-N -1 3 387.318 2.244 20 10 GECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824556487 653901755 /nfs/dbraw/zinc/90/17/55/653901755.db2.gz VVWOCOPEJHSNIN-CYBMUJFWSA-N -1 3 384.318 2.187 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000797431342 654031514 /nfs/dbraw/zinc/03/15/14/654031514.db2.gz MRNYEILNKVVRPH-UHFFFAOYSA-N -1 3 389.886 2.325 20 10 GECDHM O=C(NCc1c([O-])cccc1F)c1sccc1S(=O)(=O)N1CCCC1 ZINC000928708351 654655983 /nfs/dbraw/zinc/65/59/83/654655983.db2.gz GDSGZAYBJVLRFI-UHFFFAOYSA-N -1 3 384.454 2.307 20 10 GECDHM [O-]c1c(Br)cc(Br)cc1CN[C@]1(CO)CCOC1 ZINC000184187836 532331033 /nfs/dbraw/zinc/33/10/33/532331033.db2.gz YDFZXBPMVCLZCZ-LBPRGKRZSA-N -1 3 381.064 2.158 20 10 GECDHM O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000371954068 532364569 /nfs/dbraw/zinc/36/45/69/532364569.db2.gz NISVCFMNVDVCDA-HZPDHXFCSA-N -1 3 388.917 2.108 20 10 GECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CSc1nncs1 ZINC000272241087 532814223 /nfs/dbraw/zinc/81/42/23/532814223.db2.gz NNUMBQJDOYQNHI-UHFFFAOYSA-N -1 3 387.870 2.191 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000368318006 532931341 /nfs/dbraw/zinc/93/13/41/532931341.db2.gz JYNSNIMETJXQMB-TVQRCGJNSA-N -1 3 397.248 2.483 20 10 GECDHM Cc1cc(C(=O)NCC2(O)CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235303 598911856 /nfs/dbraw/zinc/91/18/56/598911856.db2.gz SGDOZMCCJQWTEU-UHFFFAOYSA-N -1 3 380.452 2.309 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCSc1nccs1 ZINC000737224311 599005636 /nfs/dbraw/zinc/00/56/36/599005636.db2.gz QTTWQLPEEUZERE-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCSc1nccs1 ZINC000737224311 599005638 /nfs/dbraw/zinc/00/56/38/599005638.db2.gz QTTWQLPEEUZERE-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737270240 599017650 /nfs/dbraw/zinc/01/76/50/599017650.db2.gz LVZQPUJMHJGHFL-CQSZACIVSA-N -1 3 380.452 2.325 20 10 GECDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820524884 599215939 /nfs/dbraw/zinc/21/59/39/599215939.db2.gz BSCGJBPECMLZGI-ZDUSSCGKSA-N -1 3 394.435 2.126 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821589404 599216306 /nfs/dbraw/zinc/21/63/06/599216306.db2.gz MDGYOKSAYOKHJY-YFHOEESVSA-N -1 3 376.420 2.372 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821589404 599216307 /nfs/dbraw/zinc/21/63/07/599216307.db2.gz MDGYOKSAYOKHJY-YFHOEESVSA-N -1 3 376.420 2.372 20 10 GECDHM S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000738400500 598440676 /nfs/dbraw/zinc/44/06/76/598440676.db2.gz DTKYZWNDPCPAFL-UHFFFAOYSA-N -1 3 383.437 2.342 20 10 GECDHM S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000738400500 598440678 /nfs/dbraw/zinc/44/06/78/598440678.db2.gz DTKYZWNDPCPAFL-UHFFFAOYSA-N -1 3 383.437 2.342 20 10 GECDHM COC(=O)CCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736911188 598611489 /nfs/dbraw/zinc/61/14/89/598611489.db2.gz IUVOFWBHMJYASC-UHFFFAOYSA-N -1 3 396.451 2.347 20 10 GECDHM Cc1noc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737533925 598612644 /nfs/dbraw/zinc/61/26/44/598612644.db2.gz KSDORPZPOAYQNQ-NSHDSACASA-N -1 3 392.423 2.457 20 10 GECDHM Cc1cc(C(=O)OCCn2cccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240279 598621408 /nfs/dbraw/zinc/62/14/08/598621408.db2.gz FFXUKJGUDSFLPK-UHFFFAOYSA-N -1 3 377.408 2.328 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737106616 598779259 /nfs/dbraw/zinc/77/92/59/598779259.db2.gz WCIJOWPTLNMKPS-NEPJUHHUSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737106616 598779261 /nfs/dbraw/zinc/77/92/61/598779261.db2.gz WCIJOWPTLNMKPS-NEPJUHHUSA-N -1 3 383.408 2.226 20 10 GECDHM Cc1cc(C(=O)NCc2ccc(=O)[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236724 599386675 /nfs/dbraw/zinc/38/66/75/599386675.db2.gz RFMTUCKHDSPZGA-UHFFFAOYSA-N -1 3 389.419 2.305 20 10 GECDHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2NCc1ccc(N2CCOCC2)cc1 ZINC000823796948 599491507 /nfs/dbraw/zinc/49/15/07/599491507.db2.gz IQUTYJZPBPZVKX-UHFFFAOYSA-N -1 3 387.447 2.286 20 10 GECDHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2NCc1ccc(N2CCOCC2)cc1 ZINC000823796948 599491509 /nfs/dbraw/zinc/49/15/09/599491509.db2.gz IQUTYJZPBPZVKX-UHFFFAOYSA-N -1 3 387.447 2.286 20 10 GECDHM Cc1cc(C(=O)N2CCc3c[nH]nc3C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258762 607569216 /nfs/dbraw/zinc/56/92/16/607569216.db2.gz VOQXKSJOHMRRST-UHFFFAOYSA-N -1 3 388.435 2.196 20 10 GECDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000825879160 607580122 /nfs/dbraw/zinc/58/01/22/607580122.db2.gz IMLFWJQMCKQGRR-UHFFFAOYSA-N -1 3 392.872 2.065 20 10 GECDHM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027686 605593466 /nfs/dbraw/zinc/59/34/66/605593466.db2.gz PCMQGRAEKXNHRF-CJNGLKHVSA-N -1 3 379.432 2.002 20 10 GECDHM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027686 605593468 /nfs/dbraw/zinc/59/34/68/605593468.db2.gz PCMQGRAEKXNHRF-CJNGLKHVSA-N -1 3 379.432 2.002 20 10 GECDHM CCOC(=O)[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821315778 606581234 /nfs/dbraw/zinc/58/12/34/606581234.db2.gz XGMQJDUIZJBEQK-LBPRGKRZSA-N -1 3 396.451 2.203 20 10 GECDHM CN(C)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000821589267 606675188 /nfs/dbraw/zinc/67/51/88/606675188.db2.gz GGWDRYHXZVBNIG-UHFFFAOYSA-N -1 3 376.342 2.280 20 10 GECDHM CN(C)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000821589267 606675189 /nfs/dbraw/zinc/67/51/89/606675189.db2.gz GGWDRYHXZVBNIG-UHFFFAOYSA-N -1 3 376.342 2.280 20 10 GECDHM Cc1cc(C(=O)NC[C@H](O)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176662 606816246 /nfs/dbraw/zinc/81/62/46/606816246.db2.gz NYSZCPLWORMZMN-QGZVFWFLSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)N[C@@H](CCO)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167452 607063019 /nfs/dbraw/zinc/06/30/19/607063019.db2.gz FFILHOCNCOQUNE-SFHVURJKSA-N -1 3 382.468 2.411 20 10 GECDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000824206841 608078444 /nfs/dbraw/zinc/07/84/44/608078444.db2.gz KCNWQMUMURJWEA-SFHVURJKSA-N -1 3 397.435 2.040 20 10 GECDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000824206841 608078445 /nfs/dbraw/zinc/07/84/45/608078445.db2.gz KCNWQMUMURJWEA-SFHVURJKSA-N -1 3 397.435 2.040 20 10 GECDHM O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442171 609214028 /nfs/dbraw/zinc/21/40/28/609214028.db2.gz LNLKUEMNRWWMDY-IBGZPJMESA-N -1 3 392.463 2.207 20 10 GECDHM O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442171 609214030 /nfs/dbraw/zinc/21/40/30/609214030.db2.gz LNLKUEMNRWWMDY-IBGZPJMESA-N -1 3 392.463 2.207 20 10 GECDHM CCOC(=O)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1-c1nnn[n-]1 ZINC000825553181 609488554 /nfs/dbraw/zinc/48/85/54/609488554.db2.gz LHELWALTUZLNOZ-UHFFFAOYSA-N -1 3 398.379 2.482 20 10 GECDHM CCOC(=O)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1-c1nn[n-]n1 ZINC000825553181 609488556 /nfs/dbraw/zinc/48/85/56/609488556.db2.gz LHELWALTUZLNOZ-UHFFFAOYSA-N -1 3 398.379 2.482 20 10 GECDHM CCN(CC)CC(=O)N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093045876 643074335 /nfs/dbraw/zinc/07/43/35/643074335.db2.gz SYJXDFKKJZAGNH-UHFFFAOYSA-N -1 3 384.318 2.141 20 10 GECDHM COCCCN(Cc1cc(Br)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120113802 643592856 /nfs/dbraw/zinc/59/28/56/643592856.db2.gz DSJSHUCZLDOHGY-AWEZNQCLSA-N -1 3 392.315 2.180 20 10 GECDHM O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccccn1 ZINC000132479097 643883152 /nfs/dbraw/zinc/88/31/52/643883152.db2.gz FJOBTSGVTSMRQT-OAHLLOKOSA-N -1 3 381.885 2.384 20 10 GECDHM Cc1csc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)n1 ZINC000271419447 646204233 /nfs/dbraw/zinc/20/42/33/646204233.db2.gz QYPYCDFNHOGPOV-AWEZNQCLSA-N -1 3 381.479 2.410 20 10 GECDHM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000271940074 646243134 /nfs/dbraw/zinc/24/31/34/646243134.db2.gz LKRVCVFTBNKXNE-UHFFFAOYSA-N -1 3 385.463 2.007 20 10 GECDHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000750980521 652317529 /nfs/dbraw/zinc/31/75/29/652317529.db2.gz SDGGTSVIDUSOOQ-UHFFFAOYSA-N -1 3 383.857 2.066 20 10 GECDHM CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000768341406 653110761 /nfs/dbraw/zinc/11/07/61/653110761.db2.gz JPHJOWWVKMTYFW-ZDUSSCGKSA-N -1 3 377.304 2.058 20 10 GECDHM CS(=O)(=O)NC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000768342944 653110938 /nfs/dbraw/zinc/11/09/38/653110938.db2.gz UULDZQUMKIQAPK-GFCCVEGCSA-N -1 3 377.304 2.058 20 10 GECDHM COC(=O)CNS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000809683114 653289825 /nfs/dbraw/zinc/28/98/25/653289825.db2.gz PNUXRYHCXBZDDZ-UHFFFAOYSA-N -1 3 384.841 2.109 20 10 GECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217598 653679943 /nfs/dbraw/zinc/67/99/43/653679943.db2.gz KKDBCNSXTUFWNS-CYBMUJFWSA-N -1 3 384.318 2.187 20 10 GECDHM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000785495455 653710556 /nfs/dbraw/zinc/71/05/56/653710556.db2.gz QHEYFSMTQXLNSK-XGWLTEMNSA-N -1 3 388.917 2.107 20 10 GECDHM O=C([N-]CC1C[NH+](Cc2cc(Br)cc(F)c2[O-])C1)C(F)(F)F ZINC000895463798 653836522 /nfs/dbraw/zinc/83/65/22/653836522.db2.gz FAZPYQIHRUJKGQ-UHFFFAOYSA-N -1 3 385.155 2.404 20 10 GECDHM COCc1noc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000825621049 653935669 /nfs/dbraw/zinc/93/56/69/653935669.db2.gz HMKWAJGCKFZUAU-UHFFFAOYSA-N -1 3 397.273 2.002 20 10 GECDHM O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1cccc(O)c1[O-] ZINC000799089126 654084346 /nfs/dbraw/zinc/08/43/46/654084346.db2.gz IDCQNQUKTZZXSU-UHFFFAOYSA-N -1 3 394.225 2.344 20 10 GECDHM COc1cc(Br)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000092188403 531926690 /nfs/dbraw/zinc/92/66/90/531926690.db2.gz GMFFKHQTXPIREJ-CYBMUJFWSA-N -1 3 384.274 2.153 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCOCCOC ZINC000174040327 532047379 /nfs/dbraw/zinc/04/73/79/532047379.db2.gz HBVUIVSQENADPV-UHFFFAOYSA-N -1 3 375.263 2.349 20 10 GECDHM C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186019768 532339582 /nfs/dbraw/zinc/33/95/82/532339582.db2.gz ZTJOGQMODURUKS-GXTWGEPZSA-N -1 3 376.906 2.185 20 10 GECDHM Cc1cc(C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235624 598953510 /nfs/dbraw/zinc/95/35/10/598953510.db2.gz WIDFZIPPEYHMKR-TZMCWYRMSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cnn(CCNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)c1 ZINC000737448117 599265153 /nfs/dbraw/zinc/26/51/53/599265153.db2.gz KLGKWGKENJTWOW-UHFFFAOYSA-N -1 3 390.451 2.209 20 10 GECDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCc1ccc(O)c(O)c1 ZINC000822955176 607319715 /nfs/dbraw/zinc/31/97/15/607319715.db2.gz KVZBPFRHZJONDL-UHFFFAOYSA-N -1 3 397.435 2.186 20 10 GECDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCc1ccc(O)c(O)c1 ZINC000822955176 607319716 /nfs/dbraw/zinc/31/97/16/607319716.db2.gz KVZBPFRHZJONDL-UHFFFAOYSA-N -1 3 397.435 2.186 20 10 GECDHM CCOC(=O)CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736591671 598610072 /nfs/dbraw/zinc/61/00/72/598610072.db2.gz GRAOQFWOXHHHAW-UHFFFAOYSA-N -1 3 396.451 2.347 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821611094 599322971 /nfs/dbraw/zinc/32/29/71/599322971.db2.gz QKKFVDPCHBXYPD-UHFFFAOYSA-N -1 3 395.423 2.248 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821611094 599322974 /nfs/dbraw/zinc/32/29/74/599322974.db2.gz QKKFVDPCHBXYPD-UHFFFAOYSA-N -1 3 395.423 2.248 20 10 GECDHM O=C([O-])/C=C/c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000833196380 601434846 /nfs/dbraw/zinc/43/48/46/601434846.db2.gz SETHHMWZHBUPQN-BIENSFFJSA-N -1 3 375.425 2.384 20 10 GECDHM COC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000826151011 607561217 /nfs/dbraw/zinc/56/12/17/607561217.db2.gz QYRPERNTPOUCFK-SFHVURJKSA-N -1 3 380.452 2.429 20 10 GECDHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCOc2cc(N(C)C)ccc21 ZINC000821702206 606091513 /nfs/dbraw/zinc/09/15/13/606091513.db2.gz LKPPYTVCNVZPJM-UHFFFAOYSA-N -1 3 396.451 2.219 20 10 GECDHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCOc2cc(N(C)C)ccc21 ZINC000821702206 606091517 /nfs/dbraw/zinc/09/15/17/606091517.db2.gz LKPPYTVCNVZPJM-UHFFFAOYSA-N -1 3 396.451 2.219 20 10 GECDHM CC1CCN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)CC1 ZINC000820728090 606287033 /nfs/dbraw/zinc/28/70/33/606287033.db2.gz SGRIDLWKOYODNS-UHFFFAOYSA-N -1 3 379.468 2.372 20 10 GECDHM CC1CCN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)CC1 ZINC000820728090 606287034 /nfs/dbraw/zinc/28/70/34/606287034.db2.gz SGRIDLWKOYODNS-UHFFFAOYSA-N -1 3 379.468 2.372 20 10 GECDHM Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167723 606690461 /nfs/dbraw/zinc/69/04/61/606690461.db2.gz GQBNHIXOZDPROC-SFHVURJKSA-N -1 3 380.452 2.117 20 10 GECDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1Cc1ccon1 ZINC000823505313 606976105 /nfs/dbraw/zinc/97/61/05/606976105.db2.gz ZVNPFEBLEDSUQF-WMZJFQQLSA-N -1 3 376.448 2.318 20 10 GECDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1Cc1ccon1 ZINC000823505313 606976107 /nfs/dbraw/zinc/97/61/07/606976107.db2.gz ZVNPFEBLEDSUQF-WMZJFQQLSA-N -1 3 376.448 2.318 20 10 GECDHM Cc1cc(C(=O)NC[C@@H]2COC(C)(C)O2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822175919 607218496 /nfs/dbraw/zinc/21/84/96/607218496.db2.gz BMJPLSUMJMMNSB-MRXNPFEDSA-N -1 3 396.451 2.156 20 10 GECDHM COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826111779 608500358 /nfs/dbraw/zinc/50/03/58/608500358.db2.gz MADBNOXBXRIGLC-DIFFPNOSSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826111779 608500359 /nfs/dbraw/zinc/50/03/59/608500359.db2.gz MADBNOXBXRIGLC-DIFFPNOSSA-N -1 3 383.408 2.146 20 10 GECDHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C1=CC(=O)CS1 ZINC000826430233 608603804 /nfs/dbraw/zinc/60/38/04/608603804.db2.gz XGJJTUPREHKJDO-UHFFFAOYSA-N -1 3 386.437 2.149 20 10 GECDHM Cc1cc(C(=O)OCc2ccn(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261738 609155765 /nfs/dbraw/zinc/15/57/65/609155765.db2.gz PUMYPBMBPDKKIG-UHFFFAOYSA-N -1 3 377.408 2.365 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825417824 609226518 /nfs/dbraw/zinc/22/65/18/609226518.db2.gz WHCFITQYOKCACF-SFHVURJKSA-N -1 3 398.442 2.202 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825417824 609226519 /nfs/dbraw/zinc/22/65/19/609226519.db2.gz WHCFITQYOKCACF-SFHVURJKSA-N -1 3 398.442 2.202 20 10 GECDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000127786910 643784976 /nfs/dbraw/zinc/78/49/76/643784976.db2.gz IYCWAXZFAUJQKT-UHFFFAOYSA-N -1 3 391.858 2.083 20 10 GECDHM O=C(CN1CCCN(Cc2cccc(Br)c2[O-])CC1)N1CCCC1 ZINC000129308014 643819719 /nfs/dbraw/zinc/81/97/19/643819719.db2.gz QBENNBSEOBKEDF-UHFFFAOYSA-N -1 3 396.329 2.285 20 10 GECDHM COCc1noc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000188799875 645126404 /nfs/dbraw/zinc/12/64/04/645126404.db2.gz ACEWXUKETKBYMF-UHFFFAOYSA-N -1 3 397.273 2.002 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3cccc(Cl)c32)c1 ZINC000365670090 647680912 /nfs/dbraw/zinc/68/09/12/647680912.db2.gz DUBLPHVELKLFGZ-LBPRGKRZSA-N -1 3 382.825 2.281 20 10 GECDHM C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805186766 653103582 /nfs/dbraw/zinc/10/35/82/653103582.db2.gz SINBEAISDLPEKW-NSHDSACASA-N -1 3 375.300 2.134 20 10 GECDHM COC[C@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809818953 653300614 /nfs/dbraw/zinc/30/06/14/653300614.db2.gz LKYSFNRLBGGCFC-BBRMVZONSA-N -1 3 390.933 2.212 20 10 GECDHM O=C(Nc1cc(N2CCOCC2)c(Br)cn1)c1cccc(O)c1[O-] ZINC000837155156 653405191 /nfs/dbraw/zinc/40/51/91/653405191.db2.gz KDQNHQACHQBNCV-UHFFFAOYSA-N -1 3 394.225 2.344 20 10 GECDHM CCS(=O)(=O)N1CCN(Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000862366082 653684624 /nfs/dbraw/zinc/68/46/24/653684624.db2.gz CQSDOAQVHBUGIW-LLVKDONJSA-N -1 3 377.304 2.011 20 10 GECDHM CN(Cc1cccc(Br)c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816627407 653689371 /nfs/dbraw/zinc/68/93/71/653689371.db2.gz NDTBMKJIRKCOME-UHFFFAOYSA-N -1 3 385.283 2.434 20 10 GECDHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840942310 653702667 /nfs/dbraw/zinc/70/26/67/653702667.db2.gz YUXHKINXEZYJIM-CQSZACIVSA-N -1 3 390.933 2.226 20 10 GECDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)cc1 ZINC000866424141 653794574 /nfs/dbraw/zinc/79/45/74/653794574.db2.gz FLIRIJHGUOOMPU-DEOSSOPVSA-N -1 3 385.486 2.383 20 10 GECDHM CCS(=O)(=O)N(C)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824777129 653908121 /nfs/dbraw/zinc/90/81/21/653908121.db2.gz KYEXMSOGPADJLK-UHFFFAOYSA-N -1 3 391.331 2.401 20 10 GECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825731632 653939017 /nfs/dbraw/zinc/93/90/17/653939017.db2.gz JREPWAXFISISSC-AWEZNQCLSA-N -1 3 389.315 2.155 20 10 GECDHM CC1=C(Br)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000797779248 654041593 /nfs/dbraw/zinc/04/15/93/654041593.db2.gz WQDSTVQODPVPEA-UHFFFAOYSA-N -1 3 389.271 2.279 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c(F)c1 ZINC000830150954 654101854 /nfs/dbraw/zinc/10/18/54/654101854.db2.gz PUIWLYUGIOKGCC-UHFFFAOYSA-N -1 3 387.458 2.482 20 10 GECDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000851844392 654189746 /nfs/dbraw/zinc/18/97/46/654189746.db2.gz WJSVIZBCNOGVAZ-UHFFFAOYSA-N -1 3 381.523 2.145 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000190189849 532355158 /nfs/dbraw/zinc/35/51/58/532355158.db2.gz JREWKUDUHZXMCJ-YGRLFVJLSA-N -1 3 378.288 2.484 20 10 GECDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000295913786 532487077 /nfs/dbraw/zinc/48/70/77/532487077.db2.gz JENGKCDNCMULQX-ZDUSSCGKSA-N -1 3 382.404 2.056 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1ccoc1 ZINC000283620301 532549968 /nfs/dbraw/zinc/54/99/68/532549968.db2.gz XZJNCQUFWGMIGY-UHFFFAOYSA-N -1 3 381.226 2.413 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCC1CCOCC1 ZINC000284197537 532581499 /nfs/dbraw/zinc/58/14/99/532581499.db2.gz VZCGSRRLCVRDQP-UHFFFAOYSA-N -1 3 399.285 2.046 20 10 GECDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000267507775 532743924 /nfs/dbraw/zinc/74/39/24/532743924.db2.gz AURHGZWLYDRVOC-UHFFFAOYSA-N -1 3 385.486 2.214 20 10 GECDHM C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271225326 532805333 /nfs/dbraw/zinc/80/53/33/532805333.db2.gz BYHLAFUJJOEBDY-SNVBAGLBSA-N -1 3 382.463 2.217 20 10 GECDHM COc1cc(Cl)cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289621484 532861235 /nfs/dbraw/zinc/86/12/35/532861235.db2.gz WJUIZLYLRCJZGA-LBPRGKRZSA-N -1 3 376.906 2.158 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000290347154 532878586 /nfs/dbraw/zinc/87/85/86/532878586.db2.gz NNDHMDLJUZJTBH-NSHDSACASA-N -1 3 393.285 2.437 20 10 GECDHM Cc1cc(C(=O)Nc2cccn(C)c2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238972 598910392 /nfs/dbraw/zinc/91/03/92/598910392.db2.gz WBDVFTYZRCHQGL-UHFFFAOYSA-N -1 3 389.419 2.225 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCSc1nccs1 ZINC000737298553 599236103 /nfs/dbraw/zinc/23/61/03/599236103.db2.gz RLLLXNFKXMYONX-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCSc1nccs1 ZINC000737298553 599236104 /nfs/dbraw/zinc/23/61/04/599236104.db2.gz RLLLXNFKXMYONX-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2)C1 ZINC000737746302 598241450 /nfs/dbraw/zinc/24/14/50/598241450.db2.gz REPAWAVKVQFAGP-OAHLLOKOSA-N -1 3 395.442 2.320 20 10 GECDHM COc1ccc(N2CCC(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737100283 598335375 /nfs/dbraw/zinc/33/53/75/598335375.db2.gz VRQNKRKPTZDAHG-UHFFFAOYSA-N -1 3 392.463 2.203 20 10 GECDHM COc1ccc(N2CCC(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737100283 598335377 /nfs/dbraw/zinc/33/53/77/598335377.db2.gz VRQNKRKPTZDAHG-UHFFFAOYSA-N -1 3 392.463 2.203 20 10 GECDHM COc1ccc(N2CCC(Nc3nnc(C)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000737099631 598353138 /nfs/dbraw/zinc/35/31/38/598353138.db2.gz OHANWRSDZXTMQK-UHFFFAOYSA-N -1 3 380.456 2.363 20 10 GECDHM COc1ccc(N2CCC(Nc3nnc(C)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000737099631 598353140 /nfs/dbraw/zinc/35/31/40/598353140.db2.gz OHANWRSDZXTMQK-UHFFFAOYSA-N -1 3 380.456 2.363 20 10 GECDHM Cc1cc(C(=O)OCC(=O)NCC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242124 598621478 /nfs/dbraw/zinc/62/14/78/598621478.db2.gz NAEQMXJYYZPTHP-UHFFFAOYSA-N -1 3 396.451 2.203 20 10 GECDHM Cc1cc(C(=O)OCC(=O)N(C)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240065 598621502 /nfs/dbraw/zinc/62/15/02/598621502.db2.gz CWKSGORTXYIHKJ-UHFFFAOYSA-N -1 3 394.435 2.052 20 10 GECDHM CCOC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736586916 598622515 /nfs/dbraw/zinc/62/25/15/598622515.db2.gz QZZSAJURGKTUBM-CYBMUJFWSA-N -1 3 383.408 2.383 20 10 GECDHM CCn1cc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1 ZINC000736723427 599302702 /nfs/dbraw/zinc/30/27/02/599302702.db2.gz UWXCXUGWMXVXHX-UHFFFAOYSA-N -1 3 390.451 2.421 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2)C1 ZINC000833081027 600742070 /nfs/dbraw/zinc/74/20/70/600742070.db2.gz TUKGJPIRYXPTAL-HNAYVOBHSA-N -1 3 385.439 2.443 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826210335 607576922 /nfs/dbraw/zinc/57/69/22/607576922.db2.gz NFZCEJSACCIMEX-LLVKDONJSA-N -1 3 398.423 2.150 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826210335 607576924 /nfs/dbraw/zinc/57/69/24/607576924.db2.gz NFZCEJSACCIMEX-LLVKDONJSA-N -1 3 398.423 2.150 20 10 GECDHM CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1-c1nnn[n-]1 ZINC000825538343 607765383 /nfs/dbraw/zinc/76/53/83/607765383.db2.gz DVYJAEODVWCJHW-UHFFFAOYSA-N -1 3 397.395 2.462 20 10 GECDHM CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1-c1nn[n-]n1 ZINC000825538343 607765384 /nfs/dbraw/zinc/76/53/84/607765384.db2.gz DVYJAEODVWCJHW-UHFFFAOYSA-N -1 3 397.395 2.462 20 10 GECDHM CCOc1ccc(N(C)CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821421961 606189968 /nfs/dbraw/zinc/18/99/68/606189968.db2.gz IYRHMPXFHKKHJR-UHFFFAOYSA-N -1 3 387.465 2.176 20 10 GECDHM CCOc1ccc(N(C)CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821421961 606189970 /nfs/dbraw/zinc/18/99/70/606189970.db2.gz IYRHMPXFHKKHJR-UHFFFAOYSA-N -1 3 387.465 2.176 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000821831643 606630688 /nfs/dbraw/zinc/63/06/88/606630688.db2.gz HEYVXVJZTGQHFK-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000821831643 606630689 /nfs/dbraw/zinc/63/06/89/606630689.db2.gz HEYVXVJZTGQHFK-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821326044 606758394 /nfs/dbraw/zinc/75/83/94/606758394.db2.gz RODMMRWKBCJVQQ-GFCCVEGCSA-N -1 3 396.451 2.346 20 10 GECDHM COc1ccc(N(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821827450 606881880 /nfs/dbraw/zinc/88/18/80/606881880.db2.gz BEOPXKJDGPEPTN-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM COc1ccc(N(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821827450 606881881 /nfs/dbraw/zinc/88/18/81/606881881.db2.gz BEOPXKJDGPEPTN-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM COc1cc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821720249 606903536 /nfs/dbraw/zinc/90/35/36/606903536.db2.gz PSXZTFXXBAPLHN-OAHLLOKOSA-N -1 3 385.424 2.062 20 10 GECDHM COc1cc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821720249 606903538 /nfs/dbraw/zinc/90/35/38/606903538.db2.gz PSXZTFXXBAPLHN-OAHLLOKOSA-N -1 3 385.424 2.062 20 10 GECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1Cc1ccon1 ZINC000823504853 606975610 /nfs/dbraw/zinc/97/56/10/606975610.db2.gz VLAGFHRKQIPSJC-YHYXMXQVSA-N -1 3 376.448 2.318 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000822215250 607227481 /nfs/dbraw/zinc/22/74/81/607227481.db2.gz SNYJFARMLAFDTK-UHFFFAOYSA-N -1 3 379.468 2.391 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000822215250 607227482 /nfs/dbraw/zinc/22/74/82/607227482.db2.gz SNYJFARMLAFDTK-UHFFFAOYSA-N -1 3 379.468 2.391 20 10 GECDHM COc1ccc2c(c1)CCCCN2C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826212807 608259344 /nfs/dbraw/zinc/25/93/44/608259344.db2.gz BRYARSJOJIQRDR-KRWDZBQOSA-N -1 3 395.463 2.458 20 10 GECDHM CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825415537 609187433 /nfs/dbraw/zinc/18/74/33/609187433.db2.gz CBGVJLLZXYCRBO-IBGZPJMESA-N -1 3 394.479 2.405 20 10 GECDHM CCN(CC)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825415537 609187434 /nfs/dbraw/zinc/18/74/34/609187434.db2.gz CBGVJLLZXYCRBO-IBGZPJMESA-N -1 3 394.479 2.405 20 10 GECDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000825879183 609536395 /nfs/dbraw/zinc/53/63/95/609536395.db2.gz IXXNSGNATSIKTH-UHFFFAOYSA-N -1 3 392.872 2.065 20 10 GECDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825879183 609536396 /nfs/dbraw/zinc/53/63/96/609536396.db2.gz IXXNSGNATSIKTH-UHFFFAOYSA-N -1 3 392.872 2.065 20 10 GECDHM O=C([C@@H]1CCCCN1Cc1cc(Br)ccc1[O-])N1CCOCC1 ZINC000093013933 643074423 /nfs/dbraw/zinc/07/44/23/643074423.db2.gz FBHKZZJKPSMDBM-HNNXBMFYSA-N -1 3 383.286 2.368 20 10 GECDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)nc1Cl ZINC000123674852 643675364 /nfs/dbraw/zinc/67/53/64/643675364.db2.gz IWDBIMXHCUNAIE-UHFFFAOYSA-N -1 3 386.930 2.105 20 10 GECDHM C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000269815628 646062984 /nfs/dbraw/zinc/06/29/84/646062984.db2.gz DOIQMABISFUJMD-HZMBPMFUSA-N -1 3 384.479 2.067 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000365931244 647689259 /nfs/dbraw/zinc/68/92/59/647689259.db2.gz XZVUOTDNYMBJJR-CQSZACIVSA-N -1 3 391.221 2.174 20 10 GECDHM O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000760577465 652615890 /nfs/dbraw/zinc/61/58/90/652615890.db2.gz QNDURTMWLMRSEN-LBPRGKRZSA-N -1 3 380.238 2.441 20 10 GECDHM Cc1csc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)n1 ZINC000874494004 653323586 /nfs/dbraw/zinc/32/35/86/653323586.db2.gz IVLNMQHXGIFNJV-LLVKDONJSA-N -1 3 381.479 2.158 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(OC(F)F)CC2)c1 ZINC000837070694 653399602 /nfs/dbraw/zinc/39/96/02/653399602.db2.gz DSKUALNPEYCGHV-UHFFFAOYSA-N -1 3 378.397 2.044 20 10 GECDHM Cn1cnc(-c2nnc3n2CCN(Cc2c([O-])cccc2Br)C3)c1 ZINC000877739674 653618293 /nfs/dbraw/zinc/61/82/93/653618293.db2.gz GFRXJHKRKRCEMN-UHFFFAOYSA-N -1 3 389.257 2.163 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000781897130 653651537 /nfs/dbraw/zinc/65/15/37/653651537.db2.gz CLLKELSAUXIWIF-UHFFFAOYSA-N -1 3 391.331 2.319 20 10 GECDHM CN(Cc1cc(Br)ccc1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816627440 653689288 /nfs/dbraw/zinc/68/92/88/653689288.db2.gz OCBRDPAYVQEDPB-UHFFFAOYSA-N -1 3 385.283 2.434 20 10 GECDHM CC[C@H](CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC ZINC000817134647 653701572 /nfs/dbraw/zinc/70/15/72/653701572.db2.gz ORJCVPLSZKOBCH-JKSUJKDBSA-N -1 3 390.933 2.354 20 10 GECDHM Cc1ncc(S(=O)(=O)[N-]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000841537656 653729805 /nfs/dbraw/zinc/72/98/05/653729805.db2.gz SZJOYKOAXOZGOW-UHFFFAOYSA-N -1 3 389.449 2.045 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000788055419 653748526 /nfs/dbraw/zinc/74/85/26/653748526.db2.gz YEZCXTXNHLEJOI-UHFFFAOYSA-N -1 3 388.442 2.397 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c(F)c1 ZINC000842585492 653760044 /nfs/dbraw/zinc/76/00/44/653760044.db2.gz ATILZWZBICFGLI-OAHLLOKOSA-N -1 3 396.506 2.390 20 10 GECDHM Cc1nnc(CN2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)[nH]1 ZINC000895265239 653825597 /nfs/dbraw/zinc/82/55/97/653825597.db2.gz LYPCPOWSYKEQKB-UHFFFAOYSA-N -1 3 380.290 2.207 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000797431277 654031524 /nfs/dbraw/zinc/03/15/24/654031524.db2.gz KZHHVOOGZZUIFN-UHFFFAOYSA-N -1 3 387.508 2.085 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000797431862 654031640 /nfs/dbraw/zinc/03/16/40/654031640.db2.gz ZUHDEGPLWDWNOW-UHFFFAOYSA-N -1 3 383.495 2.487 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC(=O)N1CCOCC1 ZINC000175849928 532117242 /nfs/dbraw/zinc/11/72/42/532117242.db2.gz DWIOAHHIAKBSTE-UHFFFAOYSA-N -1 3 399.285 2.142 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054867 532339634 /nfs/dbraw/zinc/33/96/34/532339634.db2.gz BVRCPNVIBQWXEX-QMTHXVAHSA-N -1 3 379.258 2.344 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])[C@@H](C(=O)OC)C1 ZINC000272507607 532816469 /nfs/dbraw/zinc/81/64/69/532816469.db2.gz IFYKBYYWAMYCAG-ZWNOBZJWSA-N -1 3 386.242 2.081 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC[C@H](C(=O)OC)O1 ZINC000290268923 532876388 /nfs/dbraw/zinc/87/63/88/532876388.db2.gz DQZZPNMHVOEZTF-UONOGXRCSA-N -1 3 386.242 2.224 20 10 GECDHM COC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736970038 598848874 /nfs/dbraw/zinc/84/88/74/598848874.db2.gz AMDKOLQJXPKDLB-HNNXBMFYSA-N -1 3 380.452 2.383 20 10 GECDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)cn1 ZINC000736723948 598301918 /nfs/dbraw/zinc/30/19/18/598301918.db2.gz YYUZRVBSTFGGHB-QPEQYQDCSA-N -1 3 383.462 2.489 20 10 GECDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)cn1 ZINC000736723948 598301920 /nfs/dbraw/zinc/30/19/20/598301920.db2.gz YYUZRVBSTFGGHB-QPEQYQDCSA-N -1 3 383.462 2.489 20 10 GECDHM COc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1O ZINC000821867641 599460420 /nfs/dbraw/zinc/46/04/20/599460420.db2.gz HKDXRSUWZXJEGX-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM COc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1O ZINC000821867641 599460422 /nfs/dbraw/zinc/46/04/22/599460422.db2.gz HKDXRSUWZXJEGX-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM COc1ccc(O)c([C@@H](C)NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833733936 605128163 /nfs/dbraw/zinc/12/81/63/605128163.db2.gz WAASDOHZPPWZMO-FZKQIMNGSA-N -1 3 384.432 2.090 20 10 GECDHM Cc1cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258938 608075555 /nfs/dbraw/zinc/07/55/55/608075555.db2.gz BPXZCGLJMHENMX-MRXNPFEDSA-N -1 3 394.435 2.098 20 10 GECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cn(C)c(Cl)n3)CC2)cc1 ZINC000123902502 643679465 /nfs/dbraw/zinc/67/94/65/643679465.db2.gz YEWZUZOXKNSGIA-UHFFFAOYSA-N -1 3 384.889 2.029 20 10 GECDHM COc1ccc(S(=O)(=O)N2CC(NCc3c([O-])cccc3Cl)C2)cc1 ZINC000137523570 643921642 /nfs/dbraw/zinc/92/16/42/643921642.db2.gz PTOHELURBHZEPV-UHFFFAOYSA-N -1 3 382.869 2.217 20 10 GECDHM CCN(C)S(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000266752406 645862108 /nfs/dbraw/zinc/86/21/08/645862108.db2.gz CZGGMYXRGULPEE-UHFFFAOYSA-N -1 3 383.495 2.404 20 10 GECDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000269933664 646074628 /nfs/dbraw/zinc/07/46/28/646074628.db2.gz DGDSIMZUPHFQMT-UHFFFAOYSA-N -1 3 385.486 2.030 20 10 GECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000278987169 646569085 /nfs/dbraw/zinc/56/90/85/646569085.db2.gz ACGJEYNHIYXFRO-AWEZNQCLSA-N -1 3 389.315 2.155 20 10 GECDHM COC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809818958 653300791 /nfs/dbraw/zinc/30/07/91/653300791.db2.gz LKYSFNRLBGGCFC-CJNGLKHVSA-N -1 3 390.933 2.212 20 10 GECDHM CCN(CC(=O)N=[S@](C)(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000878152195 653630279 /nfs/dbraw/zinc/63/02/79/653630279.db2.gz HFJXAGDDMLMSLX-QFIPXVFZSA-N -1 3 392.319 2.078 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)CC(C)(C)OC)c(F)c1 ZINC000840914751 653700783 /nfs/dbraw/zinc/70/07/83/653700783.db2.gz YNSCTRWKNQFAEZ-UHFFFAOYSA-N -1 3 382.479 2.144 20 10 GECDHM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N2CCSCC2)cc1 ZINC000866530983 653800988 /nfs/dbraw/zinc/80/09/88/653800988.db2.gz CSFKRUJKTQZXTG-UHFFFAOYSA-N -1 3 391.584 2.082 20 10 GECDHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000895199224 653822550 /nfs/dbraw/zinc/82/25/50/653822550.db2.gz HBGZTAUYEMYNPH-LBPRGKRZSA-N -1 3 375.288 2.373 20 10 GECDHM O=C([C@H]1CCCCN1Cc1ccc(Br)cc1[O-])N1CCOCC1 ZINC000824702889 653905579 /nfs/dbraw/zinc/90/55/79/653905579.db2.gz UDVZVQGCWDWUGV-OAHLLOKOSA-N -1 3 383.286 2.368 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000797431185 654031659 /nfs/dbraw/zinc/03/16/59/654031659.db2.gz JFOYLDRATAPRAA-UHFFFAOYSA-N -1 3 389.886 2.325 20 10 GECDHM C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000903228241 654229401 /nfs/dbraw/zinc/22/94/01/654229401.db2.gz XRMALSIHXWQARK-MRVPVSSYSA-N -1 3 389.326 2.407 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCN1CCOCC1 ZINC000174037887 532046928 /nfs/dbraw/zinc/04/69/28/532046928.db2.gz PQBMZHQYEBBVBO-UHFFFAOYSA-N -1 3 386.290 2.018 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)C[S@](C)=O ZINC000182575837 532315020 /nfs/dbraw/zinc/31/50/20/532315020.db2.gz ZABIOJWUBQUNHD-CWKPULSASA-N -1 3 377.304 2.453 20 10 GECDHM CC(=O)SCCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000281610650 532427081 /nfs/dbraw/zinc/42/70/81/532427081.db2.gz OQKVNHZIZFQBRC-UHFFFAOYSA-N -1 3 388.511 2.334 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000289436194 532854518 /nfs/dbraw/zinc/85/45/18/532854518.db2.gz LISJZWYMNNSMKW-UHFFFAOYSA-N -1 3 377.304 2.058 20 10 GECDHM CN(C[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1)S(C)(=O)=O ZINC000289552183 532858356 /nfs/dbraw/zinc/85/83/56/532858356.db2.gz REICVWIHJADCLW-GFCCVEGCSA-N -1 3 391.331 2.258 20 10 GECDHM COCCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368407175 532932207 /nfs/dbraw/zinc/93/22/07/532932207.db2.gz LJBNDFAWBLYJMM-MRXNPFEDSA-N -1 3 390.933 2.356 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000368318004 532931465 /nfs/dbraw/zinc/93/14/65/532931465.db2.gz JYNSNIMETJXQMB-NOZJJQNGSA-N -1 3 397.248 2.483 20 10 GECDHM O=C([C@@H]1CCCO1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000371402835 532947797 /nfs/dbraw/zinc/94/77/97/532947797.db2.gz CUFRHIFVCNTBHA-INIZCTEOSA-N -1 3 383.286 2.368 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000737221165 598996076 /nfs/dbraw/zinc/99/60/76/598996076.db2.gz JMKGNBZYSVAQHF-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000737221165 598996077 /nfs/dbraw/zinc/99/60/77/598996077.db2.gz JMKGNBZYSVAQHF-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737270976 599017581 /nfs/dbraw/zinc/01/75/81/599017581.db2.gz PUXQJPLADCEPKN-AWEZNQCLSA-N -1 3 380.452 2.325 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737270976 599017583 /nfs/dbraw/zinc/01/75/83/599017583.db2.gz PUXQJPLADCEPKN-AWEZNQCLSA-N -1 3 380.452 2.325 20 10 GECDHM COc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737099686 598352667 /nfs/dbraw/zinc/35/26/67/598352667.db2.gz PIBZPXZWEVWHQN-UHFFFAOYSA-N -1 3 396.411 2.259 20 10 GECDHM COc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737099686 598352672 /nfs/dbraw/zinc/35/26/72/598352672.db2.gz PIBZPXZWEVWHQN-UHFFFAOYSA-N -1 3 396.411 2.259 20 10 GECDHM S=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000738400658 598440373 /nfs/dbraw/zinc/44/03/73/598440373.db2.gz HZSZJYJBNOBZKT-UHFFFAOYSA-N -1 3 383.437 2.342 20 10 GECDHM Cc1cc(C(=O)N(C)CCn2cccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227657 598696833 /nfs/dbraw/zinc/69/68/33/598696833.db2.gz OVGVFHXITQNBQW-UHFFFAOYSA-N -1 3 390.451 2.243 20 10 GECDHM COC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736911823 598750267 /nfs/dbraw/zinc/75/02/67/598750267.db2.gz WSMXKODOKTWSOO-KRWDZBQOSA-N -1 3 394.435 2.052 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105517 598779083 /nfs/dbraw/zinc/77/90/83/598779083.db2.gz IJJBNJVQCUUDDI-RYUDHWBXSA-N -1 3 383.408 2.226 20 10 GECDHM Cn1cc(CN2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)cn1 ZINC000739035805 599954958 /nfs/dbraw/zinc/95/49/58/599954958.db2.gz ZWALOIBNSCJFBZ-UHFFFAOYSA-N -1 3 380.448 2.295 20 10 GECDHM COc1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1C ZINC000832353225 601975685 /nfs/dbraw/zinc/97/56/85/601975685.db2.gz UFIJSQYBOPZVHV-UHFFFAOYSA-N -1 3 377.462 2.293 20 10 GECDHM COc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000826199756 607575724 /nfs/dbraw/zinc/57/57/24/607575724.db2.gz KWAFGAXPFDRBRR-UHFFFAOYSA-N -1 3 399.430 2.080 20 10 GECDHM COc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1-c1nn[n-]n1 ZINC000826199756 607575727 /nfs/dbraw/zinc/57/57/27/607575727.db2.gz KWAFGAXPFDRBRR-UHFFFAOYSA-N -1 3 399.430 2.080 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1 ZINC000833874159 605430561 /nfs/dbraw/zinc/43/05/61/605430561.db2.gz BKGRPPGUQHCULE-QXAKKESOSA-N -1 3 388.512 2.079 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1 ZINC000833874162 605430598 /nfs/dbraw/zinc/43/05/98/605430598.db2.gz BKGRPPGUQHCULE-YTQUADARSA-N -1 3 388.512 2.079 20 10 GECDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820392403 606498358 /nfs/dbraw/zinc/49/83/58/606498358.db2.gz VSFIDCCQHXOCLC-GFCCVEGCSA-N -1 3 384.465 2.256 20 10 GECDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820392403 606498360 /nfs/dbraw/zinc/49/83/60/606498360.db2.gz VSFIDCCQHXOCLC-GFCCVEGCSA-N -1 3 384.465 2.256 20 10 GECDHM COc1ccc(N2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1F ZINC000821831827 606634114 /nfs/dbraw/zinc/63/41/14/606634114.db2.gz OJOHZLWERLMRBI-UHFFFAOYSA-N -1 3 395.442 2.225 20 10 GECDHM COc1ccc(N2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1F ZINC000821831827 606634115 /nfs/dbraw/zinc/63/41/15/606634115.db2.gz OJOHZLWERLMRBI-UHFFFAOYSA-N -1 3 395.442 2.225 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823196312 607097630 /nfs/dbraw/zinc/09/76/30/607097630.db2.gz DSHSNIOLNQSQAL-UHFFFAOYSA-N -1 3 375.483 2.305 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823196312 607097631 /nfs/dbraw/zinc/09/76/31/607097631.db2.gz DSHSNIOLNQSQAL-UHFFFAOYSA-N -1 3 375.483 2.305 20 10 GECDHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)COc1ccc(N2CCCC2)cc1 ZINC000826503707 607876615 /nfs/dbraw/zinc/87/66/15/607876615.db2.gz DBGADXDBSQHKCX-QGZVFWFLSA-N -1 3 381.436 2.286 20 10 GECDHM Cc1cc(C(=O)NCCC[C@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259133 608005870 /nfs/dbraw/zinc/00/58/70/608005870.db2.gz IVKHLKUOEMTGFS-ZDUSSCGKSA-N -1 3 382.468 2.413 20 10 GECDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCOc2cc(N(C)C)ccc21 ZINC000824047113 608087404 /nfs/dbraw/zinc/08/74/04/608087404.db2.gz XPUGOEQNMFGMRF-ZDUSSCGKSA-N -1 3 393.451 2.159 20 10 GECDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCOc2cc(N(C)C)ccc21 ZINC000824047113 608087405 /nfs/dbraw/zinc/08/74/05/608087405.db2.gz XPUGOEQNMFGMRF-ZDUSSCGKSA-N -1 3 393.451 2.159 20 10 GECDHM COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(Br)c1[O-] ZINC000026763523 642437452 /nfs/dbraw/zinc/43/74/52/642437452.db2.gz KFEJDAAJKNGLHJ-WQLSENKSSA-N -1 3 399.266 2.466 20 10 GECDHM O=C([C@H]1CCCCN1Cc1cc(Br)ccc1[O-])N1CCOCC1 ZINC000093013930 643074563 /nfs/dbraw/zinc/07/45/63/643074563.db2.gz FBHKZZJKPSMDBM-OAHLLOKOSA-N -1 3 383.286 2.368 20 10 GECDHM COC(=O)CN(CC(=O)OC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000728560023 651545603 /nfs/dbraw/zinc/54/56/03/651545603.db2.gz FFEUWHXPTTXWIP-UHFFFAOYSA-N -1 3 396.237 2.456 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C(F)(F)F)cs2)c1 ZINC000740928198 651931310 /nfs/dbraw/zinc/93/13/10/651931310.db2.gz HTRQCARFLZSZEF-UHFFFAOYSA-N -1 3 395.384 2.169 20 10 GECDHM CC[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858570533 653368081 /nfs/dbraw/zinc/36/80/81/653368081.db2.gz ZHHAFHJYYINHJO-GFCCVEGCSA-N -1 3 382.313 2.230 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000781901408 653651350 /nfs/dbraw/zinc/65/13/50/653651350.db2.gz SGOAQOROXNMBGH-LBPRGKRZSA-N -1 3 391.331 2.224 20 10 GECDHM CCCS(=O)(=O)NC1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217839 653680026 /nfs/dbraw/zinc/68/00/26/653680026.db2.gz UZIBQUAFHISXTO-UHFFFAOYSA-N -1 3 391.331 2.449 20 10 GECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217599 653680055 /nfs/dbraw/zinc/68/00/55/653680055.db2.gz KKDBCNSXTUFWNS-ZDUSSCGKSA-N -1 3 384.318 2.187 20 10 GECDHM COCc1noc(CN2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862335243 653683750 /nfs/dbraw/zinc/68/37/50/653683750.db2.gz CFFUDBGJNBQOAL-UHFFFAOYSA-N -1 3 397.273 2.002 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)CCOCC2CC2)c(F)c1 ZINC000818054017 653724764 /nfs/dbraw/zinc/72/47/64/653724764.db2.gz LCPMTUJIUVNCET-UHFFFAOYSA-N -1 3 394.490 2.146 20 10 GECDHM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000790498275 653793003 /nfs/dbraw/zinc/79/30/03/653793003.db2.gz RAOZEOZBPSKFFU-UHFFFAOYSA-N -1 3 384.479 2.120 20 10 GECDHM COCCCN(Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824535028 653900657 /nfs/dbraw/zinc/90/06/57/653900657.db2.gz MRBXUWYEQGPYIS-CQSZACIVSA-N -1 3 392.315 2.180 20 10 GECDHM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824541498 653901032 /nfs/dbraw/zinc/90/10/32/653901032.db2.gz AXEPCXPFVOQSLC-UHFFFAOYSA-N -1 3 375.922 2.058 20 10 GECDHM C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000903227123 654228983 /nfs/dbraw/zinc/22/89/83/654228983.db2.gz QPCKRHQVMVXNQJ-MRVPVSSYSA-N -1 3 389.326 2.407 20 10 GECDHM CN(Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894841836 654502043 /nfs/dbraw/zinc/50/20/43/654502043.db2.gz YKFUIAGFYUJBNL-LLVKDONJSA-N -1 3 397.722 2.274 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1cc(C)on1 ZINC000121002279 532007621 /nfs/dbraw/zinc/00/76/21/532007621.db2.gz LURCSPFLMCGDPJ-UHFFFAOYSA-N -1 3 382.214 2.438 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)CS(C)(=O)=O ZINC000177420770 532170839 /nfs/dbraw/zinc/17/08/39/532170839.db2.gz BHTKLFSARMTFKU-SNVBAGLBSA-N -1 3 378.288 2.184 20 10 GECDHM C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054166 532339627 /nfs/dbraw/zinc/33/96/27/532339627.db2.gz BRNIBYINKGKIDR-HZMBPMFUSA-N -1 3 379.258 2.344 20 10 GECDHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000371954069 532365028 /nfs/dbraw/zinc/36/50/28/532365028.db2.gz NISVCFMNVDVCDA-JKSUJKDBSA-N -1 3 388.917 2.108 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1ccco1 ZINC000283610804 532548944 /nfs/dbraw/zinc/54/89/44/532548944.db2.gz ZAHLIFCLBHTYJR-UHFFFAOYSA-N -1 3 381.226 2.413 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@H]1CCCCO1 ZINC000285716726 532701328 /nfs/dbraw/zinc/70/13/28/532701328.db2.gz YQCNASLMESAYHV-CQSZACIVSA-N -1 3 399.285 2.189 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000359963186 206273513 /nfs/dbraw/zinc/27/35/13/206273513.db2.gz YDGGTSIGRBJRNS-QGZVFWFLSA-N -1 3 382.482 2.185 20 10 GECDHM CN(C)CCNS(=O)(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000289332063 532852369 /nfs/dbraw/zinc/85/23/69/532852369.db2.gz GWHWEBMTBJCPAX-UHFFFAOYSA-N -1 3 383.901 2.498 20 10 GECDHM COCCN(Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000290577478 532884450 /nfs/dbraw/zinc/88/44/50/532884450.db2.gz UHCKBXQGGOHTLB-CQSZACIVSA-N -1 3 392.315 2.099 20 10 GECDHM Cc1cc(Br)cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1[O-] ZINC000364232791 532905290 /nfs/dbraw/zinc/90/52/90/532905290.db2.gz AKVRBEQOWGZCJB-LLVKDONJSA-N -1 3 381.230 2.282 20 10 GECDHM COCCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368407174 532932074 /nfs/dbraw/zinc/93/20/74/532932074.db2.gz LJBNDFAWBLYJMM-INIZCTEOSA-N -1 3 390.933 2.356 20 10 GECDHM C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000368318547 532931395 /nfs/dbraw/zinc/93/13/95/532931395.db2.gz MUHUZERJBUHPFH-GWCFXTLKSA-N -1 3 379.258 2.344 20 10 GECDHM Cc1cc(C(=O)N2CCn3ccnc3C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233781 598910376 /nfs/dbraw/zinc/91/03/76/598910376.db2.gz KNAIFHGQSZWJMM-UHFFFAOYSA-N -1 3 388.435 2.127 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737106165 598327227 /nfs/dbraw/zinc/32/72/27/598327227.db2.gz OBJAMIZQBJEGPD-JTQLQIEISA-N -1 3 386.387 2.280 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737106165 598327229 /nfs/dbraw/zinc/32/72/29/598327229.db2.gz OBJAMIZQBJEGPD-JTQLQIEISA-N -1 3 386.387 2.280 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2cc[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227035 598754756 /nfs/dbraw/zinc/75/47/56/598754756.db2.gz HFMNBCFJHNRLLW-UHFFFAOYSA-N -1 3 376.424 2.270 20 10 GECDHM CCN(CC)c1ccc(CN(C)[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736533330 599581303 /nfs/dbraw/zinc/58/13/03/599581303.db2.gz ZHKBFUGCFSMBJZ-IBGZPJMESA-N -1 3 393.495 2.371 20 10 GECDHM CCN(CC)CC(=O)N1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737086347 600078408 /nfs/dbraw/zinc/07/84/08/600078408.db2.gz WKUHQIIVTJORFU-UHFFFAOYSA-N -1 3 399.491 2.230 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825980901 607626156 /nfs/dbraw/zinc/62/61/56/607626156.db2.gz LEIAUUSUEXWAAM-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826475854 607757196 /nfs/dbraw/zinc/75/71/96/607757196.db2.gz SVCDQVBDKHGUFD-ZDUSSCGKSA-N -1 3 385.449 2.455 20 10 GECDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826475854 607757197 /nfs/dbraw/zinc/75/71/97/607757197.db2.gz SVCDQVBDKHGUFD-ZDUSSCGKSA-N -1 3 385.449 2.455 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C2)CCN(C(=O)[O-])CC3)cc1 ZINC000833874591 605901732 /nfs/dbraw/zinc/90/17/32/605901732.db2.gz SDAYDDFLPLIDSO-UHFFFAOYSA-N -1 3 388.512 2.177 20 10 GECDHM Cc1cc(C(=O)NC2=CC=NCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822182920 606273134 /nfs/dbraw/zinc/27/31/34/606273134.db2.gz DPEYJXIZLQLAJS-UHFFFAOYSA-N -1 3 375.392 2.049 20 10 GECDHM COc1ccc(N2CCCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831690 606527819 /nfs/dbraw/zinc/52/78/19/606527819.db2.gz JLJPXBJZBYBGFM-UHFFFAOYSA-N -1 3 392.463 2.157 20 10 GECDHM COc1ccc(N2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831690 606527821 /nfs/dbraw/zinc/52/78/21/606527821.db2.gz JLJPXBJZBYBGFM-UHFFFAOYSA-N -1 3 392.463 2.157 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821839824 606696888 /nfs/dbraw/zinc/69/68/88/606696888.db2.gz ZBQJLKCVKJLUTH-QMMMGPOBSA-N -1 3 375.335 2.350 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821839824 606696889 /nfs/dbraw/zinc/69/68/89/606696889.db2.gz ZBQJLKCVKJLUTH-QMMMGPOBSA-N -1 3 375.335 2.350 20 10 GECDHM Cc1cc(C(=O)N(CCO)CC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257423 607942975 /nfs/dbraw/zinc/94/29/75/607942975.db2.gz BSVCDBSMPCTGSJ-UHFFFAOYSA-N -1 3 380.452 2.119 20 10 GECDHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCOc2cc(N(C)C)ccc21 ZINC000824047112 608087490 /nfs/dbraw/zinc/08/74/90/608087490.db2.gz XPUGOEQNMFGMRF-CYBMUJFWSA-N -1 3 393.451 2.159 20 10 GECDHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCOc2cc(N(C)C)ccc21 ZINC000824047112 608087491 /nfs/dbraw/zinc/08/74/91/608087491.db2.gz XPUGOEQNMFGMRF-CYBMUJFWSA-N -1 3 393.451 2.159 20 10 GECDHM COc1ccc2c(c1)CCCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826213202 608259154 /nfs/dbraw/zinc/25/91/54/608259154.db2.gz OIEVFXSKIUWECH-UHFFFAOYSA-N -1 3 392.463 2.334 20 10 GECDHM COc1ccc2c(c1)CCCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826213202 608259158 /nfs/dbraw/zinc/25/91/58/608259158.db2.gz OIEVFXSKIUWECH-UHFFFAOYSA-N -1 3 392.463 2.334 20 10 GECDHM COc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3OC)CC2)cc1F ZINC000826209487 608369653 /nfs/dbraw/zinc/36/96/53/608369653.db2.gz DTOXGOQTBBACFQ-UHFFFAOYSA-N -1 3 398.442 2.345 20 10 GECDHM COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112102 608500622 /nfs/dbraw/zinc/50/06/22/608500622.db2.gz SGTUNVXPLIJHBO-GTNSWQLSSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112102 608500625 /nfs/dbraw/zinc/50/06/25/608500625.db2.gz SGTUNVXPLIJHBO-GTNSWQLSSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112101 608500630 /nfs/dbraw/zinc/50/06/30/608500630.db2.gz SGTUNVXPLIJHBO-DIFFPNOSSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112101 608500632 /nfs/dbraw/zinc/50/06/32/608500632.db2.gz SGTUNVXPLIJHBO-DIFFPNOSSA-N -1 3 383.408 2.146 20 10 GECDHM Cc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1O ZINC000826298369 608590829 /nfs/dbraw/zinc/59/08/29/608590829.db2.gz PLLUQGSZVBZQCV-UHFFFAOYSA-N -1 3 380.452 2.454 20 10 GECDHM Cc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1O ZINC000826298369 608590830 /nfs/dbraw/zinc/59/08/30/608590830.db2.gz PLLUQGSZVBZQCV-UHFFFAOYSA-N -1 3 380.452 2.454 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000268638468 645981877 /nfs/dbraw/zinc/98/18/77/645981877.db2.gz XISFPJJDDURWFC-AWEZNQCLSA-N -1 3 382.463 2.039 20 10 GECDHM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000269815634 646062796 /nfs/dbraw/zinc/06/27/96/646062796.db2.gz DOIQMABISFUJMD-YGRLFVJLSA-N -1 3 384.479 2.067 20 10 GECDHM Cc1csc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CCC2)n1 ZINC000271264562 646187337 /nfs/dbraw/zinc/18/73/37/646187337.db2.gz LHVPTOBGDHZKEF-UHFFFAOYSA-N -1 3 381.479 2.338 20 10 GECDHM O=C(NC[C@H](CO)Cc1ccccc1Br)c1cccc(O)c1[O-] ZINC000760584692 652616326 /nfs/dbraw/zinc/61/63/26/652616326.db2.gz XUVLXOMHVVCVKA-LLVKDONJSA-N -1 3 380.238 2.441 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000762579327 652704934 /nfs/dbraw/zinc/70/49/34/652704934.db2.gz OFFMMINPICZLMX-CYBMUJFWSA-N -1 3 382.825 2.281 20 10 GECDHM COC[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809818960 653300852 /nfs/dbraw/zinc/30/08/52/653300852.db2.gz LKYSFNRLBGGCFC-XJKSGUPXSA-N -1 3 390.933 2.212 20 10 GECDHM CC[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858571611 653368088 /nfs/dbraw/zinc/36/80/88/653368088.db2.gz INSQLUMKLBQEBN-ZDUSSCGKSA-N -1 3 382.313 2.230 20 10 GECDHM O=C([C@@H]1CCCCN1Cc1c([O-])cccc1Br)N1CCOCC1 ZINC000862239046 653680901 /nfs/dbraw/zinc/68/09/01/653680901.db2.gz SSZKUKNSIOVVND-HNNXBMFYSA-N -1 3 383.286 2.368 20 10 GECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1csc(CO)n1 ZINC000866765593 653821535 /nfs/dbraw/zinc/82/15/35/653821535.db2.gz ZSMNMKVUWXFDJC-CYBMUJFWSA-N -1 3 381.885 2.389 20 10 GECDHM O=C(NCc1nc([C@H]2CCCO2)n[nH]1)NCc1cccc(Br)c1[O-] ZINC000847402946 653927130 /nfs/dbraw/zinc/92/71/30/653927130.db2.gz WKJLIFUTYJWBSS-LLVKDONJSA-N -1 3 396.245 2.124 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825903980 653943653 /nfs/dbraw/zinc/94/36/53/653943653.db2.gz ZLYKEZKSFZMPGA-UHFFFAOYSA-N -1 3 377.304 2.058 20 10 GECDHM CCOC(=O)Cn1cccc(NCc2c([O-])cccc2Br)c1=O ZINC000902229210 654168641 /nfs/dbraw/zinc/16/86/41/654168641.db2.gz MSISFGHTYYBEMA-UHFFFAOYSA-N -1 3 381.226 2.492 20 10 GECDHM CN(C)c1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N(C)C)cc1 ZINC000891252840 654275559 /nfs/dbraw/zinc/27/55/59/654275559.db2.gz ODOJYTOHJRVHIY-ZDUSSCGKSA-N -1 3 397.595 2.404 20 10 GECDHM CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000907757742 654575288 /nfs/dbraw/zinc/57/52/88/654575288.db2.gz JUHINNRHLJBBIW-CYBMUJFWSA-N -1 3 399.285 2.046 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1c(C)cc(O)cc1=O ZINC000134047088 532248745 /nfs/dbraw/zinc/24/87/45/532248745.db2.gz OZVJOZRUHATLPV-UHFFFAOYSA-N -1 3 395.253 2.379 20 10 GECDHM O=C(CNCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134268318 532253268 /nfs/dbraw/zinc/25/32/68/532253268.db2.gz OEHQSLYTRNOIDG-ZDUSSCGKSA-N -1 3 379.810 2.278 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054182 532339700 /nfs/dbraw/zinc/33/97/00/532339700.db2.gz BRNIBYINKGKIDR-YGRLFVJLSA-N -1 3 379.258 2.344 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295150548 532409883 /nfs/dbraw/zinc/40/98/83/532409883.db2.gz BOGMCNOQXYOCOB-UHFFFAOYSA-N -1 3 381.479 2.241 20 10 GECDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000295913781 532486553 /nfs/dbraw/zinc/48/65/53/532486553.db2.gz JENGKCDNCMULQX-CYBMUJFWSA-N -1 3 382.404 2.056 20 10 GECDHM COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000529670274 532611345 /nfs/dbraw/zinc/61/13/45/532611345.db2.gz BMZMSRUZYWUANM-OLZOCXBDSA-N -1 3 390.299 2.315 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@H](C)CCOC ZINC000286418628 532745415 /nfs/dbraw/zinc/74/54/15/532745415.db2.gz QEJARSLODYPJHP-LLVKDONJSA-N -1 3 387.274 2.044 20 10 GECDHM Cc1cc(Br)cc(CN2CCC[C@H]2c2nc(C(N)=O)no2)c1[O-] ZINC000364232792 532905278 /nfs/dbraw/zinc/90/52/78/532905278.db2.gz AKVRBEQOWGZCJB-NSHDSACASA-N -1 3 381.230 2.282 20 10 GECDHM O=C(COc1ccccc1-c1nnn[n-]1)NCCCSc1nccs1 ZINC000737932263 598895133 /nfs/dbraw/zinc/89/51/33/598895133.db2.gz VYXONZSLIDKUJM-UHFFFAOYSA-N -1 3 376.467 2.001 20 10 GECDHM O=C(COc1ccccc1-c1nn[n-]n1)NCCCSc1nccs1 ZINC000737932263 598895135 /nfs/dbraw/zinc/89/51/35/598895135.db2.gz VYXONZSLIDKUJM-UHFFFAOYSA-N -1 3 376.467 2.001 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000737225210 599002384 /nfs/dbraw/zinc/00/23/84/599002384.db2.gz LCEACYVDFORBFJ-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000737225210 599002385 /nfs/dbraw/zinc/00/23/85/599002385.db2.gz LCEACYVDFORBFJ-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM CN(C)c1ccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736773442 598576071 /nfs/dbraw/zinc/57/60/71/598576071.db2.gz MNBLHZNKHYCXSX-LJQANCHMSA-N -1 3 391.479 2.218 20 10 GECDHM CCCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736479131 598622616 /nfs/dbraw/zinc/62/26/16/598622616.db2.gz ATIDGFQRHPINRX-CQSZACIVSA-N -1 3 396.451 2.346 20 10 GECDHM COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000826151010 607561222 /nfs/dbraw/zinc/56/12/22/607561222.db2.gz QYRPERNTPOUCFK-GOSISDBHSA-N -1 3 380.452 2.429 20 10 GECDHM COc1ccc(O)c([C@@H](C)NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000833733935 605127746 /nfs/dbraw/zinc/12/77/46/605127746.db2.gz WAASDOHZPPWZMO-ACJLOTCBSA-N -1 3 384.432 2.090 20 10 GECDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820392407 606498405 /nfs/dbraw/zinc/49/84/05/606498405.db2.gz VSFIDCCQHXOCLC-LBPRGKRZSA-N -1 3 384.465 2.256 20 10 GECDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820392407 606498407 /nfs/dbraw/zinc/49/84/07/606498407.db2.gz VSFIDCCQHXOCLC-LBPRGKRZSA-N -1 3 384.465 2.256 20 10 GECDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823254588 606554698 /nfs/dbraw/zinc/55/46/98/606554698.db2.gz YKCYUVGVSIUNKA-UHFFFAOYSA-N -1 3 386.506 2.411 20 10 GECDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823254588 606554700 /nfs/dbraw/zinc/55/47/00/606554700.db2.gz YKCYUVGVSIUNKA-UHFFFAOYSA-N -1 3 386.506 2.411 20 10 GECDHM CCOC(=O)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821315777 606581091 /nfs/dbraw/zinc/58/10/91/606581091.db2.gz XGMQJDUIZJBEQK-GFCCVEGCSA-N -1 3 396.451 2.203 20 10 GECDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000822649628 606643701 /nfs/dbraw/zinc/64/37/01/606643701.db2.gz GELOZAIZHAYDMK-UHFFFAOYSA-N -1 3 398.382 2.233 20 10 GECDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000822649628 606643702 /nfs/dbraw/zinc/64/37/02/606643702.db2.gz GELOZAIZHAYDMK-UHFFFAOYSA-N -1 3 398.382 2.233 20 10 GECDHM COc1cccc(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000821868845 607153475 /nfs/dbraw/zinc/15/34/75/607153475.db2.gz WJQJMAONHUSZEX-UHFFFAOYSA-N -1 3 383.408 2.055 20 10 GECDHM Cc1cc(C(=O)N[C@H](CCO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258313 607940827 /nfs/dbraw/zinc/94/08/27/607940827.db2.gz HCVXLWMISLEZJM-GOSISDBHSA-N -1 3 380.452 2.165 20 10 GECDHM Cc1cc(C(=O)N2CC[C@@H](CCO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257668 607995019 /nfs/dbraw/zinc/99/50/19/607995019.db2.gz LCIJBEKEQRPGNN-HNNXBMFYSA-N -1 3 380.452 2.119 20 10 GECDHM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@H]1O ZINC000825203238 608039774 /nfs/dbraw/zinc/03/97/74/608039774.db2.gz MULKABIUDSPOSR-RDTXWAMCSA-N -1 3 380.452 2.117 20 10 GECDHM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(O)c1O ZINC000826282595 609315552 /nfs/dbraw/zinc/31/55/52/609315552.db2.gz WFUCRSZUGCQJMW-UHFFFAOYSA-N -1 3 395.354 2.163 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)c2ncon2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258551 609395798 /nfs/dbraw/zinc/39/57/98/609395798.db2.gz OHHGZOYRYGNWRS-NSHDSACASA-N -1 3 378.396 2.148 20 10 GECDHM COCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000265646074 645786385 /nfs/dbraw/zinc/78/63/85/645786385.db2.gz RYUUSWYEUBQNRH-UHFFFAOYSA-N -1 3 384.479 2.184 20 10 GECDHM Cc1nc(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000769335949 653149767 /nfs/dbraw/zinc/14/97/67/653149767.db2.gz XCDVXKKLBBRUSU-UHFFFAOYSA-N -1 3 387.914 2.317 20 10 GECDHM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000808105361 653218812 /nfs/dbraw/zinc/21/88/12/653218812.db2.gz DAYLQZZKHMBGQM-UHFFFAOYSA-N -1 3 388.442 2.020 20 10 GECDHM O=S(=O)(NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)C1CC1 ZINC000816613412 653688614 /nfs/dbraw/zinc/68/86/14/653688614.db2.gz SYWWWBVVKLRCCH-LLVKDONJSA-N -1 3 376.881 2.479 20 10 GECDHM CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1c([O-])ccc(Cl)c1F ZINC000816625269 653688945 /nfs/dbraw/zinc/68/89/45/653688945.db2.gz ZDHBKSIYAWTVFW-UHFFFAOYSA-N -1 3 388.848 2.343 20 10 GECDHM O=S1(=O)CCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000840953851 653703638 /nfs/dbraw/zinc/70/36/38/653703638.db2.gz BNZGLUKJXWOOJT-UHFFFAOYSA-N -1 3 389.315 2.155 20 10 GECDHM COCC(COC)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000840954219 653703830 /nfs/dbraw/zinc/70/38/30/653703830.db2.gz IQSXOXXJNRMZKS-UHFFFAOYSA-N -1 3 387.318 2.242 20 10 GECDHM Cn1cc(S(=O)(=O)[N-]CCCSc2nccs2)c(Br)n1 ZINC000866781121 653824828 /nfs/dbraw/zinc/82/48/28/653824828.db2.gz HOWSTPXUURHALS-UHFFFAOYSA-N -1 3 397.345 2.100 20 10 GECDHM O=c1[nH]c(CNCc2cc(Br)cc(F)c2[O-])nc2c1COCC2 ZINC000883200570 653832078 /nfs/dbraw/zinc/83/20/78/653832078.db2.gz MLWGXQRCPLHMMD-UHFFFAOYSA-N -1 3 384.205 2.152 20 10 GECDHM COC(=O)[C@H]1CCN(Cc2ccc(Br)cc2[O-])[C@H](C(=O)OC)C1 ZINC000825468372 653930256 /nfs/dbraw/zinc/93/02/56/653930256.db2.gz LRXQOSLOHGTLFO-GWCFXTLKSA-N -1 3 386.242 2.081 20 10 GECDHM O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000851844090 654189839 /nfs/dbraw/zinc/18/98/39/654189839.db2.gz RLLNMLRHEUBHRH-UHFFFAOYSA-N -1 3 381.885 2.175 20 10 GECDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1 ZINC000804949329 654327506 /nfs/dbraw/zinc/32/75/06/654327506.db2.gz WAYPZLKOCAIHQR-UHFFFAOYSA-N -1 3 380.495 2.180 20 10 GECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000928711989 654656229 /nfs/dbraw/zinc/65/62/29/654656229.db2.gz MNXJNGIOVVSHDQ-CYBMUJFWSA-N -1 3 384.454 2.062 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000175847047 532116943 /nfs/dbraw/zinc/11/69/43/532116943.db2.gz OZBDVSVFQWRLLK-LLVKDONJSA-N -1 3 390.299 2.328 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCS(=O)(=O)CC ZINC000176035183 532122910 /nfs/dbraw/zinc/12/29/10/532122910.db2.gz MHGAULAOLBEGRL-UHFFFAOYSA-N -1 3 393.303 2.121 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)C[C@H]1CCCO1 ZINC000178827272 532214237 /nfs/dbraw/zinc/21/42/37/532214237.db2.gz WJFGEJOQDCJSRR-CYBMUJFWSA-N -1 3 378.288 2.485 20 10 GECDHM O=S(=O)([C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000180742571 532279634 /nfs/dbraw/zinc/27/96/34/532279634.db2.gz XGYAWZBGIHKJAP-CQSZACIVSA-N -1 3 389.315 2.155 20 10 GECDHM C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186019789 532339573 /nfs/dbraw/zinc/33/95/73/532339573.db2.gz ZTJOGQMODURUKS-TZMCWYRMSA-N -1 3 376.906 2.185 20 10 GECDHM CC[C@H](COC)NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000284263821 532582516 /nfs/dbraw/zinc/58/25/16/532582516.db2.gz VXZTXSGYJSBBJX-CYBMUJFWSA-N -1 3 387.274 2.044 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@@H](C)CCOC ZINC000286418629 532745597 /nfs/dbraw/zinc/74/55/97/532745597.db2.gz QEJARSLODYPJHP-NSHDSACASA-N -1 3 387.274 2.044 20 10 GECDHM COc1cc(Br)cc(CN2CC[C@H](CS(C)(=O)=O)C2)c1[O-] ZINC000366478262 532917846 /nfs/dbraw/zinc/91/78/46/532917846.db2.gz DOHZSPAKOKYTQB-JTQLQIEISA-N -1 3 378.288 2.030 20 10 GECDHM Cc1cc(Br)cc(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1[O-] ZINC000367716438 532926830 /nfs/dbraw/zinc/92/68/30/532926830.db2.gz FBTGJRBGLVUHDS-CQSZACIVSA-N -1 3 389.315 2.119 20 10 GECDHM COCCOC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737006638 599240887 /nfs/dbraw/zinc/24/08/87/599240887.db2.gz TTZUZAPBLLSJCW-CYBMUJFWSA-N -1 3 398.467 2.056 20 10 GECDHM COc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737131899 598324397 /nfs/dbraw/zinc/32/43/97/598324397.db2.gz HRSAZPRJSSZEEE-UHFFFAOYSA-N -1 3 375.845 2.410 20 10 GECDHM COc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737131899 598324399 /nfs/dbraw/zinc/32/43/99/598324399.db2.gz HRSAZPRJSSZEEE-UHFFFAOYSA-N -1 3 375.845 2.410 20 10 GECDHM CCN(CCC(=O)OC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736536846 598609944 /nfs/dbraw/zinc/60/99/44/598609944.db2.gz IOJAWUXMKKZPQD-UHFFFAOYSA-N -1 3 396.451 2.299 20 10 GECDHM COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736899708 598609972 /nfs/dbraw/zinc/60/99/72/598609972.db2.gz ZHBRYEUZHJWSNX-KRWDZBQOSA-N -1 3 396.451 2.202 20 10 GECDHM CCN(CC)C(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736529445 598621777 /nfs/dbraw/zinc/62/17/77/598621777.db2.gz LLAKNAJAFRPYAY-UHFFFAOYSA-N -1 3 396.451 2.299 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226688 598689987 /nfs/dbraw/zinc/68/99/87/598689987.db2.gz FHRQYFJQSZUNFZ-UHFFFAOYSA-N -1 3 376.424 2.270 20 10 GECDHM Cc1cc(C(=O)NC[C@](C)(O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168748 599489294 /nfs/dbraw/zinc/48/92/94/599489294.db2.gz QLBVIUVUIPINSQ-FQEVSTJZSA-N -1 3 380.452 2.165 20 10 GECDHM O=C([O-])/C=C\c1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000739623341 600207601 /nfs/dbraw/zinc/20/76/01/600207601.db2.gz DSFHCHRVDBPXJL-RQOWECAXSA-N -1 3 375.425 2.241 20 10 GECDHM COc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000826208803 607754054 /nfs/dbraw/zinc/75/40/54/607754054.db2.gz ANKPMXJUSANKLW-UHFFFAOYSA-N -1 3 385.424 2.408 20 10 GECDHM COc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2OC)c(OC)c1 ZINC000826208803 607754055 /nfs/dbraw/zinc/75/40/55/607754055.db2.gz ANKPMXJUSANKLW-UHFFFAOYSA-N -1 3 385.424 2.408 20 10 GECDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000822622930 606292019 /nfs/dbraw/zinc/29/20/19/606292019.db2.gz KQELJRGVYBCVAW-UHFFFAOYSA-N -1 3 378.392 2.346 20 10 GECDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000822622930 606292021 /nfs/dbraw/zinc/29/20/21/606292021.db2.gz KQELJRGVYBCVAW-UHFFFAOYSA-N -1 3 378.392 2.346 20 10 GECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823087174 606596567 /nfs/dbraw/zinc/59/65/67/606596567.db2.gz IYDMPDDUWVNCKJ-SFHVURJKSA-N -1 3 393.447 2.323 20 10 GECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823087174 606596569 /nfs/dbraw/zinc/59/65/69/606596569.db2.gz IYDMPDDUWVNCKJ-SFHVURJKSA-N -1 3 393.447 2.323 20 10 GECDHM COC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821639341 606817471 /nfs/dbraw/zinc/81/74/71/606817471.db2.gz VSBXLQPGKXOFRK-UHFFFAOYSA-N -1 3 396.451 2.203 20 10 GECDHM CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821589469 606983999 /nfs/dbraw/zinc/98/39/99/606983999.db2.gz ONLOTOAXMUXQNL-UHFFFAOYSA-N -1 3 380.452 2.407 20 10 GECDHM Cc1cc(C(=O)N2CCC[C@H](CO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169070 607193555 /nfs/dbraw/zinc/19/35/55/607193555.db2.gz YCZGZTXKWOJMMX-HNNXBMFYSA-N -1 3 380.452 2.119 20 10 GECDHM CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2O)c1-c1nnn[n-]1 ZINC000821989848 607228080 /nfs/dbraw/zinc/22/80/80/607228080.db2.gz MBZBZUOBPXYJKG-UHFFFAOYSA-N -1 3 382.449 2.497 20 10 GECDHM COc1cc(N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc(OC)c1OC ZINC000826180324 609174065 /nfs/dbraw/zinc/17/40/65/609174065.db2.gz BSVXEZRMQUMQDQ-UHFFFAOYSA-N -1 3 395.423 2.177 20 10 GECDHM COc1cc(N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc(OC)c1OC ZINC000826180324 609174066 /nfs/dbraw/zinc/17/40/66/609174066.db2.gz BSVXEZRMQUMQDQ-UHFFFAOYSA-N -1 3 395.423 2.177 20 10 GECDHM O=C([C@H]1CCCCN1Cc1cccc(Br)c1[O-])N1CCOCC1 ZINC000093014603 643074461 /nfs/dbraw/zinc/07/44/61/643074461.db2.gz YUDDVDHMXJILRJ-OAHLLOKOSA-N -1 3 383.286 2.368 20 10 GECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000279171222 646581737 /nfs/dbraw/zinc/58/17/37/646581737.db2.gz BYFQCCLVXHPISJ-UHFFFAOYSA-N -1 3 385.848 2.189 20 10 GECDHM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000289309509 646930885 /nfs/dbraw/zinc/93/08/85/646930885.db2.gz DOBDEPDUMDXJAE-CYBMUJFWSA-N -1 3 377.304 2.011 20 10 GECDHM O=S(=O)(C[C@@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751362014 652342438 /nfs/dbraw/zinc/34/24/38/652342438.db2.gz VMWXVPQTBNAANA-HOTGVXAUSA-N -1 3 388.917 2.108 20 10 GECDHM Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751358712 652342459 /nfs/dbraw/zinc/34/24/59/652342459.db2.gz GDVHGGZTWALCDR-AWEZNQCLSA-N -1 3 384.889 2.020 20 10 GECDHM O=S(=O)(C[C@H]1CCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751362017 652342548 /nfs/dbraw/zinc/34/25/48/652342548.db2.gz VMWXVPQTBNAANA-HZPDHXFCSA-N -1 3 388.917 2.108 20 10 GECDHM O=C(NC[C@@H](O)COc1ccccc1Br)c1cccc(O)c1[O-] ZINC000790891629 653800005 /nfs/dbraw/zinc/80/00/05/653800005.db2.gz QLYLXKLYRWYBSZ-SNVBAGLBSA-N -1 3 382.210 2.030 20 10 GECDHM Cn1cc([C@H]2C[S@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000895378217 653831132 /nfs/dbraw/zinc/83/11/32/653831132.db2.gz HZTWOXXWWZUIOE-JLCFBVMHSA-N -1 3 384.299 2.194 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846587773 653903652 /nfs/dbraw/zinc/90/36/52/653903652.db2.gz MBGXRRBVMRAQCO-SECBINFHSA-N -1 3 381.281 2.468 20 10 GECDHM COCc1nc([C@@H]2COCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000825460846 653930185 /nfs/dbraw/zinc/93/01/85/653930185.db2.gz AFBXGGYWTJJAAV-LBPRGKRZSA-N -1 3 384.230 2.258 20 10 GECDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(Br)cc1[O-] ZINC000825468373 653930300 /nfs/dbraw/zinc/93/03/00/653930300.db2.gz LRXQOSLOHGTLFO-GXFFZTMASA-N -1 3 386.242 2.081 20 10 GECDHM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825693453 653937553 /nfs/dbraw/zinc/93/75/53/653937553.db2.gz ZLCCYQSOQBLZAW-HNNXBMFYSA-N -1 3 390.933 2.226 20 10 GECDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000058507632 531833870 /nfs/dbraw/zinc/83/38/70/531833870.db2.gz AHGUVTYJZBQOCU-UHFFFAOYSA-N -1 3 385.486 2.068 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000174904428 532083132 /nfs/dbraw/zinc/08/31/32/532083132.db2.gz NPSFJFBBWYRTAS-JTQLQIEISA-N -1 3 393.303 2.119 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175847516 532117149 /nfs/dbraw/zinc/11/71/49/532117149.db2.gz WZBWLQKVHKYXEO-UHFFFAOYSA-N -1 3 383.202 2.308 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000263842190 532645988 /nfs/dbraw/zinc/64/59/88/532645988.db2.gz JMNOOCVDSFGKME-UHFFFAOYSA-N -1 3 384.479 2.395 20 10 GECDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000360001710 532888870 /nfs/dbraw/zinc/88/88/70/532888870.db2.gz WJTUITREDZRSBX-STQMWFEESA-N -1 3 388.258 2.316 20 10 GECDHM COCCOC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737006643 599240766 /nfs/dbraw/zinc/24/07/66/599240766.db2.gz TTZUZAPBLLSJCW-ZDUSSCGKSA-N -1 3 398.467 2.056 20 10 GECDHM Cc1cc(C(=O)NCc2c[nH]nc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737452220 598612257 /nfs/dbraw/zinc/61/22/57/598612257.db2.gz DNRGPVQDMSWFRO-UHFFFAOYSA-N -1 3 376.424 2.236 20 10 GECDHM Cc1cc(C(=O)N2CC(n3cccn3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232961 598700415 /nfs/dbraw/zinc/70/04/15/598700415.db2.gz BOFONBVEXJXREN-UHFFFAOYSA-N -1 3 388.435 2.168 20 10 GECDHM CN(C)c1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000821589340 599466283 /nfs/dbraw/zinc/46/62/83/599466283.db2.gz JYJHFKUQZMMGRZ-UHFFFAOYSA-N -1 3 387.394 2.210 20 10 GECDHM CN(C)c1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000821589340 599466285 /nfs/dbraw/zinc/46/62/85/599466285.db2.gz JYJHFKUQZMMGRZ-UHFFFAOYSA-N -1 3 387.394 2.210 20 10 GECDHM CC(C)Oc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1-c1nnn[n-]1 ZINC000820169226 607434748 /nfs/dbraw/zinc/43/47/48/607434748.db2.gz ISTGUBPFSCMQFQ-UHFFFAOYSA-N -1 3 398.423 2.429 20 10 GECDHM CC(C)Oc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1-c1nn[n-]n1 ZINC000820169226 607434750 /nfs/dbraw/zinc/43/47/50/607434750.db2.gz ISTGUBPFSCMQFQ-UHFFFAOYSA-N -1 3 398.423 2.429 20 10 GECDHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823466336 606584582 /nfs/dbraw/zinc/58/45/82/606584582.db2.gz JFYKBUGXLIXRBO-CQSZACIVSA-N -1 3 385.449 2.455 20 10 GECDHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823466336 606584584 /nfs/dbraw/zinc/58/45/84/606584584.db2.gz JFYKBUGXLIXRBO-CQSZACIVSA-N -1 3 385.449 2.455 20 10 GECDHM CN1CCCc2cc(CNC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc21 ZINC000821625911 606675200 /nfs/dbraw/zinc/67/52/00/606675200.db2.gz YKDJKKUHVNENFK-UHFFFAOYSA-N -1 3 384.390 2.457 20 10 GECDHM CN1CCCc2cc(CNC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc21 ZINC000821625911 606675201 /nfs/dbraw/zinc/67/52/01/606675201.db2.gz YKDJKKUHVNENFK-UHFFFAOYSA-N -1 3 384.390 2.457 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821589505 606683390 /nfs/dbraw/zinc/68/33/90/606683390.db2.gz QPIAWTGLBAPHEB-UHFFFAOYSA-N -1 3 386.362 2.250 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821589505 606683391 /nfs/dbraw/zinc/68/33/91/606683391.db2.gz QPIAWTGLBAPHEB-UHFFFAOYSA-N -1 3 386.362 2.250 20 10 GECDHM Cc1cc(C(=O)Nc2ccnc(CO)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260376 608206632 /nfs/dbraw/zinc/20/66/32/608206632.db2.gz LDCOAJWDEHVAGV-UHFFFAOYSA-N -1 3 389.419 2.414 20 10 GECDHM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257552 609178046 /nfs/dbraw/zinc/17/80/46/609178046.db2.gz HBGWBKYXGLTIPP-ZBFHGGJFSA-N -1 3 380.452 2.117 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826442392 609290892 /nfs/dbraw/zinc/29/08/92/609290892.db2.gz TZYOXWUBKLDZRS-UHFFFAOYSA-N -1 3 398.854 2.287 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826442392 609290893 /nfs/dbraw/zinc/29/08/93/609290893.db2.gz TZYOXWUBKLDZRS-UHFFFAOYSA-N -1 3 398.854 2.287 20 10 GECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000278987176 646569151 /nfs/dbraw/zinc/56/91/51/646569151.db2.gz ACGJEYNHIYXFRO-CQSZACIVSA-N -1 3 389.315 2.155 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000369381523 647775938 /nfs/dbraw/zinc/77/59/38/647775938.db2.gz LDLQQXJICBZLGW-LLVKDONJSA-N -1 3 381.479 2.240 20 10 GECDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)s1 ZINC000746705829 652123651 /nfs/dbraw/zinc/12/36/51/652123651.db2.gz ZQAMZBIFUDXOLA-UHFFFAOYSA-N -1 3 380.491 2.396 20 10 GECDHM O=C(NC[C@@H](CO)Cc1ccccc1Br)c1cccc(O)c1[O-] ZINC000760584693 652616434 /nfs/dbraw/zinc/61/64/34/652616434.db2.gz XUVLXOMHVVCVKA-NSHDSACASA-N -1 3 380.238 2.441 20 10 GECDHM Cn1cccc1C(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768219499 653105923 /nfs/dbraw/zinc/10/59/23/653105923.db2.gz HQYGBMCCLPJAEI-UHFFFAOYSA-N -1 3 378.270 2.451 20 10 GECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862351302 653684142 /nfs/dbraw/zinc/68/41/42/653684142.db2.gz JZNNQXVSJJJCEJ-GFCCVEGCSA-N -1 3 389.315 2.155 20 10 GECDHM CON(C)C(=O)CNCc1cc(Br)cc(Br)c1[O-] ZINC000895040755 653814046 /nfs/dbraw/zinc/81/40/46/653814046.db2.gz LEUWPTFSRKTTNS-UHFFFAOYSA-N -1 3 382.052 2.027 20 10 GECDHM COc1ccnc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000824555935 653901218 /nfs/dbraw/zinc/90/12/18/653901218.db2.gz KHFLVTSTZYDWRN-UHFFFAOYSA-N -1 3 379.258 2.276 20 10 GECDHM CN(C1CCN(Cc2ccc(Br)cc2[O-])CC1)S(C)(=O)=O ZINC000824627715 653903589 /nfs/dbraw/zinc/90/35/89/653903589.db2.gz UKWDAJQYRWMGTF-UHFFFAOYSA-N -1 3 377.304 2.011 20 10 GECDHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825693455 653937990 /nfs/dbraw/zinc/93/79/90/653937990.db2.gz ZLCCYQSOQBLZAW-OAHLLOKOSA-N -1 3 390.933 2.226 20 10 GECDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)C2)cc1 ZINC000849416629 654028072 /nfs/dbraw/zinc/02/80/72/654028072.db2.gz UFTARSIECFADME-NSHDSACASA-N -1 3 385.848 2.440 20 10 GECDHM Cc1cc(Br)c([O-])c(CNc2cccc(NC(=O)C(N)=O)c2)c1 ZINC000800893013 654163926 /nfs/dbraw/zinc/16/39/26/654163926.db2.gz NASVVAJIPZMYQX-UHFFFAOYSA-N -1 3 378.226 2.499 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](CCC(=O)OC)C(=O)OC ZINC000851791543 654177851 /nfs/dbraw/zinc/17/78/51/654177851.db2.gz APLKLFGFKYAMLP-CYBMUJFWSA-N -1 3 388.258 2.471 20 10 GECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000928711992 654656295 /nfs/dbraw/zinc/65/62/95/654656295.db2.gz MNXJNGIOVVSHDQ-ZDUSSCGKSA-N -1 3 384.454 2.062 20 10 GECDHM C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187803704 532345591 /nfs/dbraw/zinc/34/55/91/532345591.db2.gz IJFXTORLSAGOBN-ZJUUUORDSA-N -1 3 377.434 2.217 20 10 GECDHM Cc1cc(Br)cc(CN2CCN(c3ccc(=O)[nH]n3)CC2)c1[O-] ZINC000372972214 532421504 /nfs/dbraw/zinc/42/15/04/532421504.db2.gz GPJDVDFNMGPZCY-UHFFFAOYSA-N -1 3 379.258 2.281 20 10 GECDHM O=S1(=O)CC[C@@H](NC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000375450466 532558447 /nfs/dbraw/zinc/55/84/47/532558447.db2.gz AQJWWFGSWXIMMJ-CQSZACIVSA-N -1 3 393.336 2.440 20 10 GECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(Br)ccc1[O-])C(F)(F)F ZINC000263663271 532633158 /nfs/dbraw/zinc/63/31/58/532633158.db2.gz HUMJJDUTMJXZGE-CYBMUJFWSA-N -1 3 394.191 2.428 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCn1cccc1 ZINC000287896192 532812438 /nfs/dbraw/zinc/81/24/38/532812438.db2.gz GRRMDJULNMEKLU-UHFFFAOYSA-N -1 3 394.269 2.121 20 10 GECDHM CN(C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)S(C)(=O)=O ZINC000289369270 532853476 /nfs/dbraw/zinc/85/34/76/532853476.db2.gz LEIXGCCTSUUDCU-LLVKDONJSA-N -1 3 391.877 2.057 20 10 GECDHM COCCN(Cc1cc(Br)cc(C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000290577473 532884343 /nfs/dbraw/zinc/88/43/43/532884343.db2.gz UHCKBXQGGOHTLB-AWEZNQCLSA-N -1 3 392.315 2.099 20 10 GECDHM O=C([C@H]1CCCO1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000371402836 532947825 /nfs/dbraw/zinc/94/78/25/532947825.db2.gz CUFRHIFVCNTBHA-MRXNPFEDSA-N -1 3 383.286 2.368 20 10 GECDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCCSc1nccs1 ZINC000737894130 598912061 /nfs/dbraw/zinc/91/20/61/598912061.db2.gz FTWUUYWWBDQFLM-UHFFFAOYSA-N -1 3 375.483 2.034 20 10 GECDHM CCCCOC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736459912 598403041 /nfs/dbraw/zinc/40/30/41/598403041.db2.gz AMLQGFOCCYNJEC-UHFFFAOYSA-N -1 3 396.451 2.347 20 10 GECDHM COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736899709 598609991 /nfs/dbraw/zinc/60/99/91/598609991.db2.gz ZHBRYEUZHJWSNX-QGZVFWFLSA-N -1 3 396.451 2.202 20 10 GECDHM COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736888827 598618756 /nfs/dbraw/zinc/61/87/56/598618756.db2.gz OZSAUOCIZUKZPJ-LBPRGKRZSA-N -1 3 396.451 2.155 20 10 GECDHM Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737239059 598621623 /nfs/dbraw/zinc/62/16/23/598621623.db2.gz ZJPIKFOMYWVKKA-CYBMUJFWSA-N -1 3 394.435 2.098 20 10 GECDHM Cc1noc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737547780 598623776 /nfs/dbraw/zinc/62/37/76/598623776.db2.gz XMVJTUCUUXUXOE-UHFFFAOYSA-N -1 3 379.380 2.323 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@@](CC)(C(=O)[O-])c1ccccc1)cc2=O ZINC000737155360 600130443 /nfs/dbraw/zinc/13/04/43/600130443.db2.gz UCGDJZKSLVZSBB-HXUWFJFHSA-N -1 3 398.419 2.091 20 10 GECDHM CN(C)c1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1F ZINC000830639367 601976908 /nfs/dbraw/zinc/97/69/08/601976908.db2.gz HAZBBNUHOMAAMM-UHFFFAOYSA-N -1 3 394.468 2.181 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826210336 607576533 /nfs/dbraw/zinc/57/65/33/607576533.db2.gz NFZCEJSACCIMEX-NSHDSACASA-N -1 3 398.423 2.150 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826210336 607576535 /nfs/dbraw/zinc/57/65/35/607576535.db2.gz NFZCEJSACCIMEX-NSHDSACASA-N -1 3 398.423 2.150 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826303194 607587294 /nfs/dbraw/zinc/58/72/94/607587294.db2.gz DQYJRCPBXRWFPI-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826303194 607587296 /nfs/dbraw/zinc/58/72/96/607587296.db2.gz DQYJRCPBXRWFPI-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821220553 606573968 /nfs/dbraw/zinc/57/39/68/606573968.db2.gz BMLSVHQWVUTAHD-UHFFFAOYSA-N -1 3 380.452 2.360 20 10 GECDHM CCc1nnc(NCc2ccc(N3CCOCC3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821542346 606911840 /nfs/dbraw/zinc/91/18/40/606911840.db2.gz PIXCOOMMKOKMQT-UHFFFAOYSA-N -1 3 394.483 2.230 20 10 GECDHM CCc1nnc(NCc2ccc(N3CCOCC3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821542346 606911841 /nfs/dbraw/zinc/91/18/41/606911841.db2.gz PIXCOOMMKOKMQT-UHFFFAOYSA-N -1 3 394.483 2.230 20 10 GECDHM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259013 607941675 /nfs/dbraw/zinc/94/16/75/607941675.db2.gz DXCZTNBFPVXKCM-MSOLQXFVSA-N -1 3 380.452 2.308 20 10 GECDHM Cc1cc(C(=O)NCc2cc(C)ncn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826266797 607943927 /nfs/dbraw/zinc/94/39/27/607943927.db2.gz BPTSSHWEHJBCGH-UHFFFAOYSA-N -1 3 388.435 2.303 20 10 GECDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000824206840 608078469 /nfs/dbraw/zinc/07/84/69/608078469.db2.gz KCNWQMUMURJWEA-GOSISDBHSA-N -1 3 397.435 2.040 20 10 GECDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000824206840 608078470 /nfs/dbraw/zinc/07/84/70/608078470.db2.gz KCNWQMUMURJWEA-GOSISDBHSA-N -1 3 397.435 2.040 20 10 GECDHM Cc1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1nnn[n-]1 ZINC000826314378 609537846 /nfs/dbraw/zinc/53/78/46/609537846.db2.gz TYHFHDCXMYPJBP-UHFFFAOYSA-N -1 3 379.468 2.391 20 10 GECDHM Cc1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)c1-c1nn[n-]n1 ZINC000826314378 609537850 /nfs/dbraw/zinc/53/78/50/609537850.db2.gz TYHFHDCXMYPJBP-UHFFFAOYSA-N -1 3 379.468 2.391 20 10 GECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000129071482 643817635 /nfs/dbraw/zinc/81/76/35/643817635.db2.gz LEYCRDWJOXQQND-ZDUSSCGKSA-N -1 3 384.318 2.187 20 10 GECDHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1F ZINC000765647496 652845800 /nfs/dbraw/zinc/84/58/00/652845800.db2.gz KGWCAYGFFYWYNF-UHFFFAOYSA-N -1 3 388.442 2.402 20 10 GECDHM [O-]c1cc(Br)ccc1CN1CCN(CCc2cnccn2)CC1 ZINC000877704195 653617220 /nfs/dbraw/zinc/61/72/20/653617220.db2.gz ZNXLGHUNTGKTIX-UHFFFAOYSA-N -1 3 377.286 2.305 20 10 GECDHM O=C(CN1CCN(Cc2c([O-])cccc2Br)CC1)N1CCCCC1 ZINC000862216262 653680005 /nfs/dbraw/zinc/68/00/05/653680005.db2.gz GJFWEKQEDMNCNF-UHFFFAOYSA-N -1 3 396.329 2.285 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](CC)OC)c(F)c1 ZINC000817352837 653708656 /nfs/dbraw/zinc/70/86/56/653708656.db2.gz OBNXAHFOGBYJGA-GFCCVEGCSA-N -1 3 382.479 2.144 20 10 GECDHM O=S(=O)(NC1CCCC1)C1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000825479345 653931072 /nfs/dbraw/zinc/93/10/72/653931072.db2.gz MFNSYWVITWWQQI-UHFFFAOYSA-N -1 3 389.315 2.201 20 10 GECDHM COc1cc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)ncn1 ZINC000825519225 653932343 /nfs/dbraw/zinc/93/23/43/653932343.db2.gz BFBPXSLLGZJSKR-UHFFFAOYSA-N -1 3 379.258 2.276 20 10 GECDHM COc1cc(Br)cc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC000848640329 653989600 /nfs/dbraw/zinc/98/96/00/653989600.db2.gz PZBRGOHIYWUIIG-CYBMUJFWSA-N -1 3 381.226 2.344 20 10 GECDHM COc1cccc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)c1O ZINC000180081576 532255687 /nfs/dbraw/zinc/25/56/87/532255687.db2.gz NQJDZRHKEWYASJ-UHFFFAOYSA-N -1 3 393.284 2.407 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)C[S@@](C)=O ZINC000182575893 532315027 /nfs/dbraw/zinc/31/50/27/532315027.db2.gz ZABIOJWUBQUNHD-LADRHHBVSA-N -1 3 377.304 2.453 20 10 GECDHM C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187803737 532345693 /nfs/dbraw/zinc/34/56/93/532345693.db2.gz IJFXTORLSAGOBN-NXEZZACHSA-N -1 3 377.434 2.217 20 10 GECDHM O=S(=O)(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000371954066 532362846 /nfs/dbraw/zinc/36/28/46/532362846.db2.gz NISVCFMNVDVCDA-CVEARBPZSA-N -1 3 388.917 2.108 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000285716721 532700332 /nfs/dbraw/zinc/70/03/32/532700332.db2.gz YQCNASLMESAYHV-AWEZNQCLSA-N -1 3 399.285 2.189 20 10 GECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(C)c1C ZINC000265271203 532690171 /nfs/dbraw/zinc/69/01/71/532690171.db2.gz GWZSPHKDLRSSDA-UHFFFAOYSA-N -1 3 384.479 2.484 20 10 GECDHM COCc1ncsc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000285552770 532690980 /nfs/dbraw/zinc/69/09/80/532690980.db2.gz ISYHQFZCYQNJLE-UHFFFAOYSA-N -1 3 384.841 2.464 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000289523787 532857338 /nfs/dbraw/zinc/85/73/38/532857338.db2.gz VPQYAGLGAHNOKW-UHFFFAOYSA-N -1 3 391.331 2.367 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cnn(C)c1C ZINC000293392887 532926297 /nfs/dbraw/zinc/92/62/97/532926297.db2.gz MEOBYGYGQCXBGU-UHFFFAOYSA-N -1 3 388.287 2.407 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000368318005 532931368 /nfs/dbraw/zinc/93/13/68/532931368.db2.gz JYNSNIMETJXQMB-RNCFNFMXSA-N -1 3 397.248 2.483 20 10 GECDHM COc1ccc(O)c(CNC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737107059 598921691 /nfs/dbraw/zinc/92/16/91/598921691.db2.gz ZSELMUWZENEIGA-SFHVURJKSA-N -1 3 397.435 2.301 20 10 GECDHM COc1ccc(O)c(CNC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737107059 598921692 /nfs/dbraw/zinc/92/16/92/598921692.db2.gz ZSELMUWZENEIGA-SFHVURJKSA-N -1 3 397.435 2.301 20 10 GECDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000735660626 599009963 /nfs/dbraw/zinc/00/99/63/599009963.db2.gz FISZKMIJRDXOGC-UHFFFAOYSA-N -1 3 385.428 2.199 20 10 GECDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000735660626 599009965 /nfs/dbraw/zinc/00/99/65/599009965.db2.gz FISZKMIJRDXOGC-UHFFFAOYSA-N -1 3 385.428 2.199 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227566 599264824 /nfs/dbraw/zinc/26/48/24/599264824.db2.gz MZSVBRJUZIREIB-UHFFFAOYSA-N -1 3 388.435 2.336 20 10 GECDHM COc1cccc(CNC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1O ZINC000737131567 598320982 /nfs/dbraw/zinc/32/09/82/598320982.db2.gz RHFRTFKLEPCAJZ-GOSISDBHSA-N -1 3 397.435 2.301 20 10 GECDHM COc1cccc(CNC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1O ZINC000737131567 598320984 /nfs/dbraw/zinc/32/09/84/598320984.db2.gz RHFRTFKLEPCAJZ-GOSISDBHSA-N -1 3 397.435 2.301 20 10 GECDHM CN1CCCc2cc(CNC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000736856696 598326117 /nfs/dbraw/zinc/32/61/17/598326117.db2.gz NACOTIVMSQSRFC-UHFFFAOYSA-N -1 3 395.442 2.388 20 10 GECDHM CN1CCCc2cc(CNC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000736856696 598326119 /nfs/dbraw/zinc/32/61/19/598326119.db2.gz NACOTIVMSQSRFC-UHFFFAOYSA-N -1 3 395.442 2.388 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737100422 598334992 /nfs/dbraw/zinc/33/49/92/598334992.db2.gz WZGNFZGOWXYSNJ-UHFFFAOYSA-N -1 3 378.436 2.274 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737100422 598334993 /nfs/dbraw/zinc/33/49/93/598334993.db2.gz WZGNFZGOWXYSNJ-UHFFFAOYSA-N -1 3 378.436 2.274 20 10 GECDHM COCCOCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737007175 598609958 /nfs/dbraw/zinc/60/99/58/598609958.db2.gz XEJLJOITGGGKRR-UHFFFAOYSA-N -1 3 398.467 2.057 20 10 GECDHM Cc1cc(C(=O)Nc2ccc(=O)n(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236984 598610911 /nfs/dbraw/zinc/61/09/11/598610911.db2.gz XMXZCMKNMPQPQF-UHFFFAOYSA-N -1 3 389.419 2.225 20 10 GECDHM O=C(COc1ccccc1-c1nnn[n-]1)NCc1c(O)ccc2c1CCCC2 ZINC000823049520 599488883 /nfs/dbraw/zinc/48/88/83/599488883.db2.gz FQGVPOMMFXYMSK-UHFFFAOYSA-N -1 3 379.420 2.146 20 10 GECDHM O=C(COc1ccccc1-c1nn[n-]n1)NCc1c(O)ccc2c1CCCC2 ZINC000823049520 599488886 /nfs/dbraw/zinc/48/88/86/599488886.db2.gz FQGVPOMMFXYMSK-UHFFFAOYSA-N -1 3 379.420 2.146 20 10 GECDHM COc1ccc(N2CCN(Cc3ccc(OC)c(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826209421 607513725 /nfs/dbraw/zinc/51/37/25/607513725.db2.gz AXXCLSBYLRNRJG-UHFFFAOYSA-N -1 3 398.442 2.345 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000826243263 607651614 /nfs/dbraw/zinc/65/16/14/607651614.db2.gz BAJDYKDYDQBEAF-UHFFFAOYSA-N -1 3 392.463 2.284 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000826243263 607651616 /nfs/dbraw/zinc/65/16/16/607651616.db2.gz BAJDYKDYDQBEAF-UHFFFAOYSA-N -1 3 392.463 2.284 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)cc1 ZINC000833874161 605429971 /nfs/dbraw/zinc/42/99/71/605429971.db2.gz BKGRPPGUQHCULE-WDSOQIARSA-N -1 3 388.512 2.079 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)cc1 ZINC000833874160 605430648 /nfs/dbraw/zinc/43/06/48/605430648.db2.gz BKGRPPGUQHCULE-UHOSZYNNSA-N -1 3 388.512 2.079 20 10 GECDHM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027689 605593293 /nfs/dbraw/zinc/59/32/93/605593293.db2.gz PCMQGRAEKXNHRF-CZUORRHYSA-N -1 3 379.432 2.002 20 10 GECDHM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027689 605593297 /nfs/dbraw/zinc/59/32/97/605593297.db2.gz PCMQGRAEKXNHRF-CZUORRHYSA-N -1 3 379.432 2.002 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821660524 606334624 /nfs/dbraw/zinc/33/46/24/606334624.db2.gz UTZRNBJVFKLKJI-UXBLZVDNSA-N -1 3 395.491 2.083 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821660524 606334625 /nfs/dbraw/zinc/33/46/25/606334625.db2.gz UTZRNBJVFKLKJI-UXBLZVDNSA-N -1 3 395.491 2.083 20 10 GECDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823253643 606572423 /nfs/dbraw/zinc/57/24/23/606572423.db2.gz JYIVYYQSTUQXLB-UHFFFAOYSA-N -1 3 398.492 2.067 20 10 GECDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823253643 606572425 /nfs/dbraw/zinc/57/24/25/606572425.db2.gz JYIVYYQSTUQXLB-UHFFFAOYSA-N -1 3 398.492 2.067 20 10 GECDHM O=C(COc1ccc(N2CCCC2)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823040397 606617015 /nfs/dbraw/zinc/61/70/15/606617015.db2.gz JVCLTGQEBWMJCC-UHFFFAOYSA-N -1 3 378.436 2.162 20 10 GECDHM O=C(COc1ccc(N2CCCC2)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823040397 606617017 /nfs/dbraw/zinc/61/70/17/606617017.db2.gz JVCLTGQEBWMJCC-UHFFFAOYSA-N -1 3 378.436 2.162 20 10 GECDHM COc1ccc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821839344 607121000 /nfs/dbraw/zinc/12/10/00/607121000.db2.gz UKQIBZXLNZTUEL-UHFFFAOYSA-N -1 3 386.397 2.097 20 10 GECDHM COc1ccc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821839344 607121001 /nfs/dbraw/zinc/12/10/01/607121001.db2.gz UKQIBZXLNZTUEL-UHFFFAOYSA-N -1 3 386.397 2.097 20 10 GECDHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825892640 607927443 /nfs/dbraw/zinc/92/74/43/607927443.db2.gz RIQLUKIOQWORDE-UHFFFAOYSA-N -1 3 386.799 2.324 20 10 GECDHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000825892640 607927444 /nfs/dbraw/zinc/92/74/44/607927444.db2.gz RIQLUKIOQWORDE-UHFFFAOYSA-N -1 3 386.799 2.324 20 10 GECDHM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@@H]1O ZINC000825203233 608039616 /nfs/dbraw/zinc/03/96/16/608039616.db2.gz MULKABIUDSPOSR-KSSFIOAISA-N -1 3 380.452 2.117 20 10 GECDHM COc1ccc2c(c1)CCCCN2C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826212808 608258947 /nfs/dbraw/zinc/25/89/47/608258947.db2.gz BRYARSJOJIQRDR-QGZVFWFLSA-N -1 3 395.463 2.458 20 10 GECDHM CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000825241942 608334035 /nfs/dbraw/zinc/33/40/35/608334035.db2.gz FEKCEUNYEKTQPG-QGZVFWFLSA-N -1 3 396.451 2.346 20 10 GECDHM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257549 609177972 /nfs/dbraw/zinc/17/79/72/609177972.db2.gz HBGWBKYXGLTIPP-GDBMZVCRSA-N -1 3 380.452 2.117 20 10 GECDHM Cc1cc(C(=O)N2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257551 609178121 /nfs/dbraw/zinc/17/81/21/609178121.db2.gz HBGWBKYXGLTIPP-HOCLYGCPSA-N -1 3 380.452 2.117 20 10 GECDHM COCCCN(Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120161340 643594443 /nfs/dbraw/zinc/59/44/43/643594443.db2.gz JKEUJHMCNFKLRS-ZDUSSCGKSA-N -1 3 392.315 2.180 20 10 GECDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1cccc(Br)c1[O-] ZINC000768533961 653115880 /nfs/dbraw/zinc/11/58/80/653115880.db2.gz WOUWEYNRHJFWBG-UHFFFAOYSA-N -1 3 389.290 2.474 20 10 GECDHM O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc(O)c1[O-] ZINC000773657840 653211231 /nfs/dbraw/zinc/21/12/31/653211231.db2.gz HAJAEHMRYYRCHN-CYBMUJFWSA-N -1 3 391.221 2.396 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000774613156 653242436 /nfs/dbraw/zinc/24/24/36/653242436.db2.gz BTIUFKRTYFRVQF-UHFFFAOYSA-N -1 3 384.479 2.395 20 10 GECDHM CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000809689324 653289785 /nfs/dbraw/zinc/28/97/85/653289785.db2.gz XQWFJFGJQXRVPR-GFCCVEGCSA-N -1 3 377.304 2.011 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000809736008 653292687 /nfs/dbraw/zinc/29/26/87/653292687.db2.gz CHVGIKKMCXKNAX-UHFFFAOYSA-N -1 3 391.331 2.367 20 10 GECDHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccccc1O ZINC000810275966 653333138 /nfs/dbraw/zinc/33/31/38/653333138.db2.gz XQRCGTGINPPNNF-UHFFFAOYSA-N -1 3 389.260 2.294 20 10 GECDHM CCN(CC)C(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217254 653679987 /nfs/dbraw/zinc/67/99/87/653679987.db2.gz WYCFCSCQEODAJK-UHFFFAOYSA-N -1 3 384.318 2.141 20 10 GECDHM O=S(=O)(NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)C1CC1 ZINC000816613413 653688684 /nfs/dbraw/zinc/68/86/84/653688684.db2.gz SYWWWBVVKLRCCH-NSHDSACASA-N -1 3 376.881 2.479 20 10 GECDHM COCCNC(=O)C1(N[C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000840821236 653695363 /nfs/dbraw/zinc/69/53/63/653695363.db2.gz BBPLYEKDHFSODX-VIFPVBQESA-N -1 3 375.238 2.240 20 10 GECDHM Cc1cc([O-])c(CN2CCN(S(=O)(=O)CCOC(C)C)CC2)c(Cl)c1 ZINC000840920130 653701119 /nfs/dbraw/zinc/70/11/19/653701119.db2.gz CEVGOPBOFAOMSJ-UHFFFAOYSA-N -1 3 390.933 2.226 20 10 GECDHM CC[C@H](CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC ZINC000817134646 653701609 /nfs/dbraw/zinc/70/16/09/653701609.db2.gz ORJCVPLSZKOBCH-HZPDHXFCSA-N -1 3 390.933 2.354 20 10 GECDHM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840942309 653702682 /nfs/dbraw/zinc/70/26/82/653702682.db2.gz YUXHKINXEZYJIM-AWEZNQCLSA-N -1 3 390.933 2.226 20 10 GECDHM O=C(NC[C@H](O)COc1ccccc1Br)c1cccc(O)c1[O-] ZINC000790891628 653800033 /nfs/dbraw/zinc/80/00/33/653800033.db2.gz QLYLXKLYRWYBSZ-JTQLQIEISA-N -1 3 382.210 2.030 20 10 GECDHM O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)NCc1cccc(Br)c1[O-] ZINC000847402947 653926986 /nfs/dbraw/zinc/92/69/86/653926986.db2.gz WKJLIFUTYJWBSS-NSHDSACASA-N -1 3 396.245 2.124 20 10 GECDHM C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000903227124 654229002 /nfs/dbraw/zinc/22/90/02/654229002.db2.gz QPCKRHQVMVXNQJ-QMMMGPOBSA-N -1 3 389.326 2.407 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911565520 654726373 /nfs/dbraw/zinc/72/63/73/654726373.db2.gz KHBFNDLYPUWMRB-LBPRGKRZSA-N -1 3 399.285 2.300 20 10 GECDHM CCOC(=O)CNC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000180769184 532280806 /nfs/dbraw/zinc/28/08/06/532280806.db2.gz GHIGIRCMXUEBDC-UHFFFAOYSA-N -1 3 399.285 2.046 20 10 GECDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000298379687 532646008 /nfs/dbraw/zinc/64/60/08/532646008.db2.gz AIQUAURRNDAUKW-UHFFFAOYSA-N -1 3 384.479 2.484 20 10 GECDHM CN(C)CCNS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000285587606 532693273 /nfs/dbraw/zinc/69/32/73/532693273.db2.gz OULVIFBTRXAJSX-UHFFFAOYSA-N -1 3 383.901 2.498 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)Cn1cncn1 ZINC000266793745 532724132 /nfs/dbraw/zinc/72/41/32/532724132.db2.gz IBXZVWFPTOKHSY-LLVKDONJSA-N -1 3 382.262 2.366 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@H](C)CSC ZINC000287707498 532807521 /nfs/dbraw/zinc/80/75/21/532807521.db2.gz DHYPVLXDZJCFEC-SNVBAGLBSA-N -1 3 389.315 2.371 20 10 GECDHM COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])[C@H](C(=O)OC)C1 ZINC000272506359 532816450 /nfs/dbraw/zinc/81/64/50/532816450.db2.gz IFYKBYYWAMYCAG-GWCFXTLKSA-N -1 3 386.242 2.081 20 10 GECDHM COC(=O)c1cn([C@H]2CCN(Cc3cc(Br)cc(C)c3[O-])C2)nn1 ZINC000363934620 532902284 /nfs/dbraw/zinc/90/22/84/532902284.db2.gz VQOLHNGFHIZAGL-ZDUSSCGKSA-N -1 3 395.257 2.288 20 10 GECDHM Cc1nc2c(s1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000367853381 532928006 /nfs/dbraw/zinc/92/80/06/532928006.db2.gz FOJZAMMQDHCLQO-ZDUSSCGKSA-N -1 3 381.479 2.336 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000368318548 532931334 /nfs/dbraw/zinc/93/13/34/532931334.db2.gz MUHUZERJBUHPFH-GXFFZTMASA-N -1 3 379.258 2.344 20 10 GECDHM Cc1cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235621 598953250 /nfs/dbraw/zinc/95/32/50/598953250.db2.gz WIDFZIPPEYHMKR-GXTWGEPZSA-N -1 3 382.468 2.411 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736819311 598387281 /nfs/dbraw/zinc/38/72/81/598387281.db2.gz JHNKMLMPHWHZQW-UHFFFAOYSA-N -1 3 385.859 2.388 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736819311 598387283 /nfs/dbraw/zinc/38/72/83/598387283.db2.gz JHNKMLMPHWHZQW-UHFFFAOYSA-N -1 3 385.859 2.388 20 10 GECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1F ZINC000736774310 598494633 /nfs/dbraw/zinc/49/46/33/598494633.db2.gz VAIFEFVFWQTDMV-XNTDXEJSSA-N -1 3 378.367 2.416 20 10 GECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1F ZINC000736774310 598494634 /nfs/dbraw/zinc/49/46/34/598494634.db2.gz VAIFEFVFWQTDMV-XNTDXEJSSA-N -1 3 378.367 2.416 20 10 GECDHM Cc1cc(C(=O)NCCCn2cccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236950 598610939 /nfs/dbraw/zinc/61/09/39/598610939.db2.gz VNUCXRCANMOXMH-UHFFFAOYSA-N -1 3 390.451 2.291 20 10 GECDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823246545 599413524 /nfs/dbraw/zinc/41/35/24/599413524.db2.gz TZAYYQSYYDHHQI-UHFFFAOYSA-N -1 3 378.436 2.451 20 10 GECDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823246545 599413525 /nfs/dbraw/zinc/41/35/25/599413525.db2.gz TZAYYQSYYDHHQI-UHFFFAOYSA-N -1 3 378.436 2.451 20 10 GECDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823257118 599418700 /nfs/dbraw/zinc/41/87/00/599418700.db2.gz AQNQXBARLVIARL-UHFFFAOYSA-N -1 3 378.436 2.451 20 10 GECDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823257118 599418702 /nfs/dbraw/zinc/41/87/02/599418702.db2.gz AQNQXBARLVIARL-UHFFFAOYSA-N -1 3 378.436 2.451 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821839847 599456757 /nfs/dbraw/zinc/45/67/57/599456757.db2.gz ZQYYHDJCQGMXOY-GFCCVEGCSA-N -1 3 398.423 2.020 20 10 GECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1Cc1ccon1 ZINC000823504799 607462450 /nfs/dbraw/zinc/46/24/50/607462450.db2.gz USKWAQRBYAMQBE-WUXMJOGZSA-N -1 3 388.409 2.395 20 10 GECDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1Cc1ccon1 ZINC000823504799 607462452 /nfs/dbraw/zinc/46/24/52/607462452.db2.gz USKWAQRBYAMQBE-WUXMJOGZSA-N -1 3 388.409 2.395 20 10 GECDHM Cc1cccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826300962 607545220 /nfs/dbraw/zinc/54/52/20/607545220.db2.gz MYWGADWHZMWZQZ-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM Cc1cccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826300962 607545221 /nfs/dbraw/zinc/54/52/21/607545221.db2.gz MYWGADWHZMWZQZ-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825428844 607751282 /nfs/dbraw/zinc/75/12/82/607751282.db2.gz UKBFQBNFDDQQBB-UHFFFAOYSA-N -1 3 391.229 2.325 20 10 GECDHM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)c(OC)c1 ZINC000826209229 607753966 /nfs/dbraw/zinc/75/39/66/607753966.db2.gz SFIMLAFXXDRXDI-UHFFFAOYSA-N -1 3 386.412 2.169 20 10 GECDHM COC(=O)CN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000821661645 606582797 /nfs/dbraw/zinc/58/27/97/606582797.db2.gz RSTNQTQXYVJWMT-UHFFFAOYSA-N -1 3 394.435 2.052 20 10 GECDHM COc1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1F ZINC000821831699 606981251 /nfs/dbraw/zinc/98/12/51/606981251.db2.gz JVKHSTYYBUJXOB-UHFFFAOYSA-N -1 3 386.406 2.476 20 10 GECDHM COc1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1F ZINC000821831699 606981253 /nfs/dbraw/zinc/98/12/53/606981253.db2.gz JVKHSTYYBUJXOB-UHFFFAOYSA-N -1 3 386.406 2.476 20 10 GECDHM Cc1cc(C(=O)NC[C@H](O)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169170 607159564 /nfs/dbraw/zinc/15/95/64/607159564.db2.gz YTZRBKUORCWMGZ-KRWDZBQOSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)c2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822510385 607217866 /nfs/dbraw/zinc/21/78/66/607217866.db2.gz MQEWSNATZXHRLV-NSHDSACASA-N -1 3 392.423 2.457 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259016 607942054 /nfs/dbraw/zinc/94/20/54/607942054.db2.gz DXCZTNBFPVXKCM-ZWKOTPCHSA-N -1 3 380.452 2.308 20 10 GECDHM Fc1cc(CNc2nc3ccccn3c2-c2nnn[n-]2)ccc1N1CCOCC1 ZINC000826372109 609464589 /nfs/dbraw/zinc/46/45/89/609464589.db2.gz IBUXZYNPUWRIEF-UHFFFAOYSA-N -1 3 394.414 2.102 20 10 GECDHM Fc1cc(CNc2nc3ccccn3c2-c2nn[n-]n2)ccc1N1CCOCC1 ZINC000826372109 609464590 /nfs/dbraw/zinc/46/45/90/609464590.db2.gz IBUXZYNPUWRIEF-UHFFFAOYSA-N -1 3 394.414 2.102 20 10 GECDHM Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000121336221 643631472 /nfs/dbraw/zinc/63/14/72/643631472.db2.gz RWBODUBHOWUYNW-UHFFFAOYSA-N -1 3 385.873 2.157 20 10 GECDHM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000269815630 646062886 /nfs/dbraw/zinc/06/28/86/646062886.db2.gz DOIQMABISFUJMD-IINYFYTJSA-N -1 3 384.479 2.067 20 10 GECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cccc(Br)c1[O-])C(F)(F)F ZINC000725849812 651481614 /nfs/dbraw/zinc/48/16/14/651481614.db2.gz YCHGSFQOSOPYOW-CYBMUJFWSA-N -1 3 394.191 2.428 20 10 GECDHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000750999501 652318656 /nfs/dbraw/zinc/31/86/56/652318656.db2.gz RSVDFCBRINXCMU-UHFFFAOYSA-N -1 3 381.479 2.008 20 10 GECDHM O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000760577134 652615833 /nfs/dbraw/zinc/61/58/33/652615833.db2.gz QZGRVERYJNPERY-LBPRGKRZSA-N -1 3 380.238 2.441 20 10 GECDHM COC(=O)C1=NO[C@@]2(CCN(Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714069 653617415 /nfs/dbraw/zinc/61/74/15/653617415.db2.gz LDGDOGFEMNJLKS-INIZCTEOSA-N -1 3 383.242 2.357 20 10 GECDHM COCCCN(Cc1c([O-])cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000862214562 653679716 /nfs/dbraw/zinc/67/97/16/653679716.db2.gz VYLNXLSZQNHBQL-GFCCVEGCSA-N -1 3 392.315 2.180 20 10 GECDHM COC(=O)[C@H]1CCN(Cc2c([O-])cccc2Br)[C@H](C(=O)OC)C1 ZINC000862310265 653682946 /nfs/dbraw/zinc/68/29/46/653682946.db2.gz TYYWVYUMYLUVGZ-GWCFXTLKSA-N -1 3 386.242 2.081 20 10 GECDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1c([O-])cccc1Br ZINC000862310266 653682958 /nfs/dbraw/zinc/68/29/58/653682958.db2.gz TYYWVYUMYLUVGZ-GXFFZTMASA-N -1 3 386.242 2.081 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](CC)OC)c(F)c1 ZINC000817352973 653708599 /nfs/dbraw/zinc/70/85/99/653708599.db2.gz OBNXAHFOGBYJGA-LBPRGKRZSA-N -1 3 382.479 2.144 20 10 GECDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c(Br)n1 ZINC000866485416 653798046 /nfs/dbraw/zinc/79/80/46/653798046.db2.gz QDMOTLCQXVGNLU-UHFFFAOYSA-N -1 3 399.314 2.261 20 10 GECDHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000867409255 653928838 /nfs/dbraw/zinc/92/88/38/653928838.db2.gz IGWCKONUVPVZFE-CQSZACIVSA-N -1 3 375.560 2.334 20 10 GECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC000826123159 653947143 /nfs/dbraw/zinc/94/71/43/653947143.db2.gz IEYXVOXDWQKCGL-AWEZNQCLSA-N -1 3 389.901 2.295 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000797431220 654031669 /nfs/dbraw/zinc/03/16/69/654031669.db2.gz JZZHPICQIJZTTM-UHFFFAOYSA-N -1 3 387.458 2.119 20 10 GECDHM COCC1(S(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000830628142 654130626 /nfs/dbraw/zinc/13/06/26/654130626.db2.gz SJVOHDWUUYNFJI-OAHLLOKOSA-N -1 3 388.917 2.108 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800580796 654150123 /nfs/dbraw/zinc/15/01/23/654150123.db2.gz UXNBCGSZDBWTQM-AWEZNQCLSA-N -1 3 380.853 2.314 20 10 GECDHM C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000186019749 532339552 /nfs/dbraw/zinc/33/95/52/532339552.db2.gz ZTJOGQMODURUKS-OCCSQVGLSA-N -1 3 376.906 2.185 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054539 532339748 /nfs/dbraw/zinc/33/97/48/532339748.db2.gz GHIDWEVDNXGORL-LKFCYVNXSA-N -1 3 397.248 2.483 20 10 GECDHM COc1cc(Cl)cc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1[O-] ZINC000184680313 532334633 /nfs/dbraw/zinc/33/46/33/532334633.db2.gz YEEOGKKYKAWMSQ-AWEZNQCLSA-N -1 3 376.906 2.348 20 10 GECDHM COc1cc(Br)cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1[O-] ZINC000192063634 532383187 /nfs/dbraw/zinc/38/31/87/532383187.db2.gz VROQJLGVTAARRE-JTQLQIEISA-N -1 3 378.288 2.030 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC000373749294 532466492 /nfs/dbraw/zinc/46/64/92/532466492.db2.gz YSVOTNVUFFVMHQ-UHFFFAOYSA-N -1 3 399.266 2.441 20 10 GECDHM O=S1(=O)CC[C@H](NC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000375450465 532559164 /nfs/dbraw/zinc/55/91/64/532559164.db2.gz AQJWWFGSWXIMMJ-AWEZNQCLSA-N -1 3 393.336 2.440 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCCCOC ZINC000284022835 532574250 /nfs/dbraw/zinc/57/42/50/532574250.db2.gz IUVYCLAIYNLLDE-UHFFFAOYSA-N -1 3 387.274 2.046 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1cc(C)no1 ZINC000285547405 532690441 /nfs/dbraw/zinc/69/04/41/532690441.db2.gz ANDHNKSYDNHWGF-UHFFFAOYSA-N -1 3 396.241 2.116 20 10 GECDHM CN(C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)S(C)(=O)=O ZINC000289369273 532853612 /nfs/dbraw/zinc/85/36/12/532853612.db2.gz LEIXGCCTSUUDCU-NSHDSACASA-N -1 3 391.877 2.057 20 10 GECDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCCSc1nccs1 ZINC000737925822 598911989 /nfs/dbraw/zinc/91/19/89/598911989.db2.gz YVKAPWWJAGSAAJ-UHFFFAOYSA-N -1 3 376.467 2.001 20 10 GECDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCCSc1nccs1 ZINC000737925822 598911991 /nfs/dbraw/zinc/91/19/91/598911991.db2.gz YVKAPWWJAGSAAJ-UHFFFAOYSA-N -1 3 376.467 2.001 20 10 GECDHM Cc1cc(C(=O)NC[C@H]2CCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176327 599188233 /nfs/dbraw/zinc/18/82/33/599188233.db2.gz JKQQRKNLNWHBTP-CRAIPNDOSA-N -1 3 380.452 2.165 20 10 GECDHM CN(C)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000736772717 598325603 /nfs/dbraw/zinc/32/56/03/598325603.db2.gz GZBQLCNTFMMXJJ-UHFFFAOYSA-N -1 3 387.394 2.210 20 10 GECDHM CN(C)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000736772717 598325605 /nfs/dbraw/zinc/32/56/05/598325605.db2.gz GZBQLCNTFMMXJJ-UHFFFAOYSA-N -1 3 387.394 2.210 20 10 GECDHM COc1cccc(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737131596 598510880 /nfs/dbraw/zinc/51/08/80/598510880.db2.gz RXNSXXHYEFLYIH-UHFFFAOYSA-N -1 3 385.449 2.131 20 10 GECDHM COc1cccc(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737131596 598510882 /nfs/dbraw/zinc/51/08/82/598510882.db2.gz RXNSXXHYEFLYIH-UHFFFAOYSA-N -1 3 385.449 2.131 20 10 GECDHM Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737244003 598621456 /nfs/dbraw/zinc/62/14/56/598621456.db2.gz WTERRZGCTADUAT-UHFFFAOYSA-N -1 3 396.451 2.346 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737098565 598631001 /nfs/dbraw/zinc/63/10/01/598631001.db2.gz GAVZRBZBENWXOX-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737098565 598631003 /nfs/dbraw/zinc/63/10/03/598631003.db2.gz GAVZRBZBENWXOX-UHFFFAOYSA-N -1 3 397.414 2.369 20 10 GECDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000738177038 598720634 /nfs/dbraw/zinc/72/06/34/598720634.db2.gz DFIHMHNYYVXEBT-UHFFFAOYSA-N -1 3 398.448 2.125 20 10 GECDHM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000737500218 600011929 /nfs/dbraw/zinc/01/19/29/600011929.db2.gz HIOYXRFQCQQSND-XQRVVYSFSA-N -1 3 399.451 2.490 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CN[C@H](C(=O)[O-])c3ccccc3F)cc2)C1 ZINC000833081029 600742197 /nfs/dbraw/zinc/74/21/97/600742197.db2.gz TUKGJPIRYXPTAL-KXBFYZLASA-N -1 3 385.439 2.443 20 10 GECDHM C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N1CCCCCC1 ZINC000823688073 603930973 /nfs/dbraw/zinc/93/09/73/603930973.db2.gz YSYDIOLSSOUPDP-QAPCUYQASA-N -1 3 376.501 2.442 20 10 GECDHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168105 606183470 /nfs/dbraw/zinc/18/34/70/606183470.db2.gz LOWNQQBHNIQFPO-WBVHZDCISA-N -1 3 380.452 2.308 20 10 GECDHM Cc1cc(C(=O)NC[C@@H](O)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176661 606816191 /nfs/dbraw/zinc/81/61/91/606816191.db2.gz NYSZCPLWORMZMN-KRWDZBQOSA-N -1 3 382.468 2.411 20 10 GECDHM COc1cc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821720246 606904166 /nfs/dbraw/zinc/90/41/66/606904166.db2.gz PSXZTFXXBAPLHN-HNNXBMFYSA-N -1 3 385.424 2.062 20 10 GECDHM COc1cc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821720246 606904168 /nfs/dbraw/zinc/90/41/68/606904168.db2.gz PSXZTFXXBAPLHN-HNNXBMFYSA-N -1 3 385.424 2.062 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000822214840 607227168 /nfs/dbraw/zinc/22/71/68/607227168.db2.gz AEFKYIAGVHXLDF-UHFFFAOYSA-N -1 3 383.431 2.282 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000822214840 607227169 /nfs/dbraw/zinc/22/71/69/607227169.db2.gz AEFKYIAGVHXLDF-UHFFFAOYSA-N -1 3 383.431 2.282 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)c2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258415 607956734 /nfs/dbraw/zinc/95/67/34/607956734.db2.gz KSOVXNAEOBJLGQ-LBPRGKRZSA-N -1 3 376.424 2.488 20 10 GECDHM Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257712 608385551 /nfs/dbraw/zinc/38/55/51/608385551.db2.gz MSACSYGJCYJJJH-HXUWFJFHSA-N -1 3 380.452 2.261 20 10 GECDHM CN(C)c1ccc(CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825878788 609193846 /nfs/dbraw/zinc/19/38/46/609193846.db2.gz FHVIFXJCZMOXHR-LJQANCHMSA-N -1 3 392.463 2.157 20 10 GECDHM CN(C)c1ccc(CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000825878788 609193847 /nfs/dbraw/zinc/19/38/47/609193847.db2.gz FHVIFXJCZMOXHR-LJQANCHMSA-N -1 3 392.463 2.157 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434547 609213251 /nfs/dbraw/zinc/21/32/51/609213251.db2.gz ANBNPVMAMOQHSN-GOSISDBHSA-N -1 3 380.452 2.015 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434547 609213253 /nfs/dbraw/zinc/21/32/53/609213253.db2.gz ANBNPVMAMOQHSN-GOSISDBHSA-N -1 3 380.452 2.015 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000825417823 609226578 /nfs/dbraw/zinc/22/65/78/609226578.db2.gz WHCFITQYOKCACF-GOSISDBHSA-N -1 3 398.442 2.202 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000825417823 609226580 /nfs/dbraw/zinc/22/65/80/609226580.db2.gz WHCFITQYOKCACF-GOSISDBHSA-N -1 3 398.442 2.202 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)c2ncon2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258550 609395778 /nfs/dbraw/zinc/39/57/78/609395778.db2.gz OHHGZOYRYGNWRS-LLVKDONJSA-N -1 3 378.396 2.148 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000055639099 642776239 /nfs/dbraw/zinc/77/62/39/642776239.db2.gz UBMWRZKHVCLIOL-UHFFFAOYSA-N -1 3 382.463 2.184 20 10 GECDHM NS(=O)(=O)c1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000128961371 643815969 /nfs/dbraw/zinc/81/59/69/643815969.db2.gz MAEFDEQXDPPYSD-UHFFFAOYSA-N -1 3 381.885 2.015 20 10 GECDHM CN(C)c1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000133979576 643899713 /nfs/dbraw/zinc/89/97/13/643899713.db2.gz LFBRFYPOJMFEAU-UHFFFAOYSA-N -1 3 387.914 2.062 20 10 GECDHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758168996 652532403 /nfs/dbraw/zinc/53/24/03/652532403.db2.gz JQMPZWNGJZNOPW-UHFFFAOYSA-N -1 3 379.818 2.389 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3ccc(Cl)cc32)c1 ZINC000762579329 652704913 /nfs/dbraw/zinc/70/49/13/652704913.db2.gz OFFMMINPICZLMX-ZDUSSCGKSA-N -1 3 382.825 2.281 20 10 GECDHM COC(=O)c1cn([C@H]2CCCN(Cc3cccc(Br)c3[O-])C2)nn1 ZINC000762795426 652719208 /nfs/dbraw/zinc/71/92/08/652719208.db2.gz WKPRPAIZSYJTPO-LBPRGKRZSA-N -1 3 395.257 2.370 20 10 GECDHM C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805186765 653103634 /nfs/dbraw/zinc/10/36/34/653103634.db2.gz SINBEAISDLPEKW-LLVKDONJSA-N -1 3 375.300 2.134 20 10 GECDHM CC[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858570534 653368108 /nfs/dbraw/zinc/36/81/08/653368108.db2.gz ZHHAFHJYYINHJO-LBPRGKRZSA-N -1 3 382.313 2.230 20 10 GECDHM Cn1cnc(-c2nnc3n2CCN(Cc2ccc(Br)cc2[O-])C3)c1 ZINC000877741180 653618316 /nfs/dbraw/zinc/61/83/16/653618316.db2.gz SQYXIXJZZOTEIN-UHFFFAOYSA-N -1 3 389.257 2.163 20 10 GECDHM NS(=O)(=O)c1cccc2c1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000877761523 653618743 /nfs/dbraw/zinc/61/87/43/653618743.db2.gz IDRLEGQPWAPTQG-UHFFFAOYSA-N -1 3 397.294 2.360 20 10 GECDHM Cc1nc(CN2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)n[nH]1 ZINC000895262131 653825367 /nfs/dbraw/zinc/82/53/67/653825367.db2.gz JMITVUPZJBKYJR-UHFFFAOYSA-N -1 3 384.253 2.038 20 10 GECDHM Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000895377676 653831205 /nfs/dbraw/zinc/83/12/05/653831205.db2.gz GDCRZTAXXGKFRO-FPTDNZKUSA-N -1 3 384.299 2.194 20 10 GECDHM Cn1ncc(I)c1CNCc1cc(F)cc(F)c1[O-] ZINC000883200096 653832088 /nfs/dbraw/zinc/83/20/88/653832088.db2.gz ASCVSNLYSGIACY-UHFFFAOYSA-N -1 3 379.148 2.298 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](CCC(=O)OC)C(=O)OC ZINC000851791544 654177978 /nfs/dbraw/zinc/17/79/78/654177978.db2.gz APLKLFGFKYAMLP-ZDUSSCGKSA-N -1 3 388.258 2.471 20 10 GECDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000056259864 531809837 /nfs/dbraw/zinc/80/98/37/531809837.db2.gz LZKBOOLQJBWVNP-CYBMUJFWSA-N -1 3 381.523 2.140 20 10 GECDHM COc1cc(Br)cc(CN2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000092188402 531926821 /nfs/dbraw/zinc/92/68/21/531926821.db2.gz GMFFKHQTXPIREJ-ZDUSSCGKSA-N -1 3 384.274 2.153 20 10 GECDHM O=C(CNCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134268345 532252767 /nfs/dbraw/zinc/25/27/67/532252767.db2.gz OEHQSLYTRNOIDG-CYBMUJFWSA-N -1 3 379.810 2.278 20 10 GECDHM C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054886 532339653 /nfs/dbraw/zinc/33/96/53/532339653.db2.gz BVRCPNVIBQWXEX-HZMBPMFUSA-N -1 3 379.258 2.344 20 10 GECDHM Cn1cc(-c2nnc3n2CCN(Cc2cc(Br)ccc2[O-])C3)cn1 ZINC000374255654 532495500 /nfs/dbraw/zinc/49/55/00/532495500.db2.gz RUVFUKXCMIMKSR-UHFFFAOYSA-N -1 3 389.257 2.163 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000299482435 532720616 /nfs/dbraw/zinc/72/06/16/532720616.db2.gz GECOVSZLXUQKPE-UHFFFAOYSA-N -1 3 381.523 2.141 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3nccs3)CCCC2)c1 ZINC000271284650 532807149 /nfs/dbraw/zinc/80/71/49/532807149.db2.gz OKCRRZPUMZXVSD-UHFFFAOYSA-N -1 3 381.479 2.420 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000737296917 598951023 /nfs/dbraw/zinc/95/10/23/598951023.db2.gz AOHWGJFVKJVCPX-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000737296917 598951025 /nfs/dbraw/zinc/95/10/25/598951025.db2.gz AOHWGJFVKJVCPX-UHFFFAOYSA-N -1 3 398.492 2.254 20 10 GECDHM Cc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235623 598953617 /nfs/dbraw/zinc/95/36/17/598953617.db2.gz WIDFZIPPEYHMKR-OCCSQVGLSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176328 599188433 /nfs/dbraw/zinc/18/84/33/599188433.db2.gz JKQQRKNLNWHBTP-MAUKXSAKSA-N -1 3 380.452 2.165 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821589403 599216293 /nfs/dbraw/zinc/21/62/93/599216293.db2.gz MDGYOKSAYOKHJY-JXMROGBWSA-N -1 3 376.420 2.372 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821589403 599216295 /nfs/dbraw/zinc/21/62/95/599216295.db2.gz MDGYOKSAYOKHJY-JXMROGBWSA-N -1 3 376.420 2.372 20 10 GECDHM COC(=O)C(C)(C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736889585 598496273 /nfs/dbraw/zinc/49/62/73/598496273.db2.gz TWPOQSYIBABYCZ-UHFFFAOYSA-N -1 3 396.451 2.298 20 10 GECDHM COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736888825 598619119 /nfs/dbraw/zinc/61/91/19/598619119.db2.gz OZSAUOCIZUKZPJ-GFCCVEGCSA-N -1 3 396.451 2.155 20 10 GECDHM Cc1cc(C(=O)OCC(=O)N2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737239898 598623372 /nfs/dbraw/zinc/62/33/72/598623372.db2.gz CMBMEKFERFPIIZ-UHFFFAOYSA-N -1 3 394.435 2.053 20 10 GECDHM CCOCCOCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736623119 598784766 /nfs/dbraw/zinc/78/47/66/598784766.db2.gz ANBAXXPJCOMDKU-UHFFFAOYSA-N -1 3 399.451 2.484 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821837712 599466431 /nfs/dbraw/zinc/46/64/31/599466431.db2.gz GHKAEXSIZDVUCI-SNVBAGLBSA-N -1 3 386.387 2.280 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821837712 599466433 /nfs/dbraw/zinc/46/64/33/599466433.db2.gz GHKAEXSIZDVUCI-SNVBAGLBSA-N -1 3 386.387 2.280 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])cc2=O ZINC000829890391 601201688 /nfs/dbraw/zinc/20/16/88/601201688.db2.gz QFPXXYFBZSSRLJ-YVEFUNNKSA-N -1 3 398.419 2.163 20 10 GECDHM CN(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000825879091 607673253 /nfs/dbraw/zinc/67/32/53/607673253.db2.gz HACYTMRYEYQKGM-UHFFFAOYSA-N -1 3 377.452 2.421 20 10 GECDHM CN(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000825879091 607673254 /nfs/dbraw/zinc/67/32/54/607673254.db2.gz HACYTMRYEYQKGM-UHFFFAOYSA-N -1 3 377.452 2.421 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825878720 607714969 /nfs/dbraw/zinc/71/49/69/607714969.db2.gz CQFGVWAADUQHKC-MRXNPFEDSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825878720 607714971 /nfs/dbraw/zinc/71/49/71/607714971.db2.gz CQFGVWAADUQHKC-MRXNPFEDSA-N -1 3 395.467 2.082 20 10 GECDHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823466335 606584847 /nfs/dbraw/zinc/58/48/47/606584847.db2.gz JFYKBUGXLIXRBO-AWEZNQCLSA-N -1 3 385.449 2.455 20 10 GECDHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823466335 606584848 /nfs/dbraw/zinc/58/48/48/606584848.db2.gz JFYKBUGXLIXRBO-AWEZNQCLSA-N -1 3 385.449 2.455 20 10 GECDHM Cc1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167379 606586072 /nfs/dbraw/zinc/58/60/72/606586072.db2.gz DMIRJEJPWUCKJV-OAHLLOKOSA-N -1 3 380.452 2.383 20 10 GECDHM COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1F ZINC000821832087 606634068 /nfs/dbraw/zinc/63/40/68/606634068.db2.gz ZAOVADQJGHYFMT-UHFFFAOYSA-N -1 3 399.386 2.249 20 10 GECDHM COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1F ZINC000821832087 606634069 /nfs/dbraw/zinc/63/40/69/606634069.db2.gz ZAOVADQJGHYFMT-UHFFFAOYSA-N -1 3 399.386 2.249 20 10 GECDHM CC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820902024 606823605 /nfs/dbraw/zinc/82/36/05/606823605.db2.gz HPKVBDSGFULEGR-HNNXBMFYSA-N -1 3 382.468 2.413 20 10 GECDHM Cc1cc(C(=O)NC[C@@H](O)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169172 607159656 /nfs/dbraw/zinc/15/96/56/607159656.db2.gz YTZRBKUORCWMGZ-QGZVFWFLSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)N2CCC[C@@H](CO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169071 607193474 /nfs/dbraw/zinc/19/34/74/607193474.db2.gz YCZGZTXKWOJMMX-OAHLLOKOSA-N -1 3 380.452 2.119 20 10 GECDHM Cc1sc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1C ZINC000826349318 607927637 /nfs/dbraw/zinc/92/76/37/607927637.db2.gz DIFVAZKHXONJGU-UHFFFAOYSA-N -1 3 386.437 2.349 20 10 GECDHM Cc1sc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1C ZINC000826349318 607927638 /nfs/dbraw/zinc/92/76/38/607927638.db2.gz DIFVAZKHXONJGU-UHFFFAOYSA-N -1 3 386.437 2.349 20 10 GECDHM Cc1cc(C(=O)N[C@H](CO)CC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258317 608172054 /nfs/dbraw/zinc/17/20/54/608172054.db2.gz HDZKKGKZHMVDNG-INIZCTEOSA-N -1 3 380.452 2.165 20 10 GECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824293434 609207304 /nfs/dbraw/zinc/20/73/04/609207304.db2.gz LQLQDMOUMHSDAD-IBGZPJMESA-N -1 3 394.479 2.403 20 10 GECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824293434 609207306 /nfs/dbraw/zinc/20/73/06/609207306.db2.gz LQLQDMOUMHSDAD-IBGZPJMESA-N -1 3 394.479 2.403 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccccc2Cl)c1 ZINC000752641181 652390682 /nfs/dbraw/zinc/39/06/82/652390682.db2.gz MZIMPVDRTTXUMK-UHFFFAOYSA-N -1 3 384.841 2.226 20 10 GECDHM O=S(=O)(NC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)C1CC1 ZINC000809784781 653295133 /nfs/dbraw/zinc/29/51/33/653295133.db2.gz NFKUEKZYDHVLEU-LLVKDONJSA-N -1 3 376.881 2.479 20 10 GECDHM CC[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000858571609 653368015 /nfs/dbraw/zinc/36/80/15/653368015.db2.gz INSQLUMKLBQEBN-CYBMUJFWSA-N -1 3 382.313 2.230 20 10 GECDHM CC(=O)c1cc(F)cc(CN(CC(F)F)C2CCS(=O)(=O)CC2)c1[O-] ZINC000788008620 653747453 /nfs/dbraw/zinc/74/74/53/653747453.db2.gz NFVAZDQJARFALP-UHFFFAOYSA-N -1 3 379.400 2.378 20 10 GECDHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC000895200436 653822793 /nfs/dbraw/zinc/82/27/93/653822793.db2.gz VFHKZKSEEWLBBV-LBPRGKRZSA-N -1 3 375.288 2.373 20 10 GECDHM Cn1nc(Br)nc1CNCc1cccc(Br)c1[O-] ZINC000894571646 654487476 /nfs/dbraw/zinc/48/74/76/654487476.db2.gz UTAKGGPICXKBKT-UHFFFAOYSA-N -1 3 376.052 2.336 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@@H](C)CSC ZINC000287707490 532807371 /nfs/dbraw/zinc/80/73/71/532807371.db2.gz DHYPVLXDZJCFEC-JTQLQIEISA-N -1 3 389.315 2.371 20 10 GECDHM CN(C[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1)S(C)(=O)=O ZINC000289552185 532858718 /nfs/dbraw/zinc/85/87/18/532858718.db2.gz REICVWIHJADCLW-LBPRGKRZSA-N -1 3 391.331 2.258 20 10 GECDHM Cc1cc(Br)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1[O-] ZINC000289562194 532859042 /nfs/dbraw/zinc/85/90/42/532859042.db2.gz RVOSFHUHYNLBOA-UHFFFAOYSA-N -1 3 391.331 2.224 20 10 GECDHM CCSc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccn1 ZINC000275159253 532867115 /nfs/dbraw/zinc/86/71/15/532867115.db2.gz ARRFMZOBKJJHRC-UHFFFAOYSA-N -1 3 381.479 2.201 20 10 GECDHM COc1c([O-])c(CN(C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000290277636 532876801 /nfs/dbraw/zinc/87/68/01/532876801.db2.gz YSDXXWGGKDPVQD-UHFFFAOYSA-N -1 3 385.218 2.400 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000737271493 599084623 /nfs/dbraw/zinc/08/46/23/599084623.db2.gz WCYSOSBJHWYOKD-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000737271493 599084625 /nfs/dbraw/zinc/08/46/25/599084625.db2.gz WCYSOSBJHWYOKD-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737271613 599148036 /nfs/dbraw/zinc/14/80/36/599148036.db2.gz WZEMAQZWSAKWMG-UHFFFAOYSA-N -1 3 383.431 2.380 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737271613 599148038 /nfs/dbraw/zinc/14/80/38/599148038.db2.gz WZEMAQZWSAKWMG-UHFFFAOYSA-N -1 3 383.431 2.380 20 10 GECDHM Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176329 599188516 /nfs/dbraw/zinc/18/85/16/599188516.db2.gz JKQQRKNLNWHBTP-QAPCUYQASA-N -1 3 380.452 2.165 20 10 GECDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820524883 599215545 /nfs/dbraw/zinc/21/55/45/599215545.db2.gz BSCGJBPECMLZGI-CYBMUJFWSA-N -1 3 394.435 2.126 20 10 GECDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000737954693 599276758 /nfs/dbraw/zinc/27/67/58/599276758.db2.gz PSZONEJFIDZURW-GOSISDBHSA-N -1 3 393.447 2.323 20 10 GECDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000737954693 599276761 /nfs/dbraw/zinc/27/67/61/599276761.db2.gz PSZONEJFIDZURW-GOSISDBHSA-N -1 3 393.447 2.323 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2)C1 ZINC000737746301 598241061 /nfs/dbraw/zinc/24/10/61/598241061.db2.gz REPAWAVKVQFAGP-HNNXBMFYSA-N -1 3 395.442 2.320 20 10 GECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1F ZINC000736774309 598494521 /nfs/dbraw/zinc/49/45/21/598494521.db2.gz VAIFEFVFWQTDMV-GDNBJRDFSA-N -1 3 378.367 2.416 20 10 GECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1F ZINC000736774309 598494523 /nfs/dbraw/zinc/49/45/23/598494523.db2.gz VAIFEFVFWQTDMV-GDNBJRDFSA-N -1 3 378.367 2.416 20 10 GECDHM COc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1O ZINC000737130961 598527352 /nfs/dbraw/zinc/52/73/52/598527352.db2.gz JVXKYWNXYKYAID-UHFFFAOYSA-N -1 3 385.428 2.459 20 10 GECDHM COc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1O ZINC000737130961 598527354 /nfs/dbraw/zinc/52/73/54/598527354.db2.gz JVXKYWNXYKYAID-UHFFFAOYSA-N -1 3 385.428 2.459 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226551 598610117 /nfs/dbraw/zinc/61/01/17/598610117.db2.gz BQPZEBGIRRWUFD-UHFFFAOYSA-N -1 3 390.451 2.280 20 10 GECDHM Cc1cc(C(=O)NCCC(=O)OC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235450 598610478 /nfs/dbraw/zinc/61/04/78/598610478.db2.gz VFMLMUIAPFKFNR-UHFFFAOYSA-N -1 3 396.451 2.346 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737106619 598779065 /nfs/dbraw/zinc/77/90/65/598779065.db2.gz WCIJOWPTLNMKPS-VXGBXAGGSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737106619 598779066 /nfs/dbraw/zinc/77/90/66/598779066.db2.gz WCIJOWPTLNMKPS-VXGBXAGGSA-N -1 3 383.408 2.226 20 10 GECDHM COCCOCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737010990 598786860 /nfs/dbraw/zinc/78/68/60/598786860.db2.gz LYLQTFMBKCYRER-UHFFFAOYSA-N -1 3 385.424 2.094 20 10 GECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1[O-] ZINC000823634765 599453192 /nfs/dbraw/zinc/45/31/92/599453192.db2.gz LRVGUHHUNIVZQB-UHFFFAOYSA-N -1 3 390.787 2.303 20 10 GECDHM Cn1ccnc1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000739055290 599955175 /nfs/dbraw/zinc/95/51/75/599955175.db2.gz JYSYYPLJHBGMDJ-UHFFFAOYSA-N -1 3 380.448 2.295 20 10 GECDHM Cc1cccc(S(=O)(=O)NCCCSc2nccs2)c1-c1nnn[n-]1 ZINC000826303425 607615463 /nfs/dbraw/zinc/61/54/63/607615463.db2.gz OMWKNNFWCQJEJT-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM Cc1cccc(S(=O)(=O)NCCCSc2nccs2)c1-c1nn[n-]n1 ZINC000826303425 607615464 /nfs/dbraw/zinc/61/54/64/607615464.db2.gz OMWKNNFWCQJEJT-UHFFFAOYSA-N -1 3 396.523 2.092 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1-c1nnn[n-]1 ZINC000826268726 607617549 /nfs/dbraw/zinc/61/75/49/607617549.db2.gz KSHZXPVVLBHJNL-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM Cc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1-c1nn[n-]n1 ZINC000826268726 607617552 /nfs/dbraw/zinc/61/75/52/607617552.db2.gz KSHZXPVVLBHJNL-UHFFFAOYSA-N -1 3 386.481 2.028 20 10 GECDHM COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1F ZINC000821831755 606633941 /nfs/dbraw/zinc/63/39/41/606633941.db2.gz LQELRVKDSMRYHB-UHFFFAOYSA-N -1 3 399.386 2.249 20 10 GECDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1F ZINC000821831755 606633942 /nfs/dbraw/zinc/63/39/42/606633942.db2.gz LQELRVKDSMRYHB-UHFFFAOYSA-N -1 3 399.386 2.249 20 10 GECDHM O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823368489 606672319 /nfs/dbraw/zinc/67/23/19/606672319.db2.gz YMBMGQYTRPVMRJ-UHFFFAOYSA-N -1 3 386.362 2.234 20 10 GECDHM O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823368489 606672320 /nfs/dbraw/zinc/67/23/20/606672320.db2.gz YMBMGQYTRPVMRJ-UHFFFAOYSA-N -1 3 386.362 2.234 20 10 GECDHM Cc1cc(C(=O)N(C)C[C@@H](O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167722 606690713 /nfs/dbraw/zinc/69/07/13/606690713.db2.gz GQBNHIXOZDPROC-GOSISDBHSA-N -1 3 380.452 2.117 20 10 GECDHM CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc2nonc21 ZINC000820093344 607000307 /nfs/dbraw/zinc/00/03/07/607000307.db2.gz WFSSGOADAZSCEG-UHFFFAOYSA-N -1 3 399.436 2.254 20 10 GECDHM COc1ccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)cc1F ZINC000821831666 607082847 /nfs/dbraw/zinc/08/28/47/607082847.db2.gz IFOXAKLGPJLDEM-UHFFFAOYSA-N -1 3 386.406 2.476 20 10 GECDHM Cc1cc(C(=O)N[C@H](CO)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258767 608472833 /nfs/dbraw/zinc/47/28/33/608472833.db2.gz VXRLOCJVBYQHSY-INIZCTEOSA-N -1 3 382.468 2.411 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825878789 609192184 /nfs/dbraw/zinc/19/21/84/609192184.db2.gz FJWXWEHEAGYELE-KRWDZBQOSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825878789 609192186 /nfs/dbraw/zinc/19/21/86/609192186.db2.gz FJWXWEHEAGYELE-KRWDZBQOSA-N -1 3 395.467 2.082 20 10 GECDHM Cc1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314032 609537920 /nfs/dbraw/zinc/53/79/20/609537920.db2.gz CLENJAMGYXAOBU-UHFFFAOYSA-N -1 3 383.431 2.282 20 10 GECDHM Cc1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314032 609537921 /nfs/dbraw/zinc/53/79/21/609537921.db2.gz CLENJAMGYXAOBU-UHFFFAOYSA-N -1 3 383.431 2.282 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Br)cc2)c1 ZINC000107039667 643248211 /nfs/dbraw/zinc/24/82/11/643248211.db2.gz IQVCOPQTUTWXKX-UHFFFAOYSA-N -1 3 399.266 2.456 20 10 GECDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cccc(Br)c1[O-])C(F)(F)F ZINC000725849814 651481728 /nfs/dbraw/zinc/48/17/28/651481728.db2.gz YCHGSFQOSOPYOW-ZDUSSCGKSA-N -1 3 394.191 2.428 20 10 GECDHM COC[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809818959 653300644 /nfs/dbraw/zinc/30/06/44/653300644.db2.gz LKYSFNRLBGGCFC-CZUORRHYSA-N -1 3 390.933 2.212 20 10 GECDHM CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F ZINC000776745256 653375526 /nfs/dbraw/zinc/37/55/26/653375526.db2.gz UIVPHXOIRSRSRU-UHFFFAOYSA-N -1 3 388.442 2.482 20 10 GECDHM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F ZINC000776745282 653375693 /nfs/dbraw/zinc/37/56/93/653375693.db2.gz VRRDVCOSZHLBLE-UHFFFAOYSA-N -1 3 388.442 2.484 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000781896404 653651461 /nfs/dbraw/zinc/65/14/61/653651461.db2.gz KCPQOQDZIJIWTL-ZDUSSCGKSA-N -1 3 391.331 2.367 20 10 GECDHM CCc1nc(CN2CCN(Cc3c([O-])cccc3Br)CC2)no1 ZINC000862241650 653681123 /nfs/dbraw/zinc/68/11/23/653681123.db2.gz GRXSTUNCLRTHPE-UHFFFAOYSA-N -1 3 381.274 2.418 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])[C@@H](C(=O)OC)C1 ZINC000825468436 653930240 /nfs/dbraw/zinc/93/02/40/653930240.db2.gz LRXQOSLOHGTLFO-ZWNOBZJWSA-N -1 3 386.242 2.081 20 10 GECDHM C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054578 532339721 /nfs/dbraw/zinc/33/97/21/532339721.db2.gz GHIDWEVDNXGORL-XPTSAGLGSA-N -1 3 397.248 2.483 20 10 GECDHM C[C@H](NCc1cc(Br)cc(Br)c1[O-])C(=O)N(C)C ZINC000191805452 532367627 /nfs/dbraw/zinc/36/76/27/532367627.db2.gz XHHCEONZCNQOSE-ZETCQYMHSA-N -1 3 380.080 2.484 20 10 GECDHM COC(=O)c1cn([C@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)nn1 ZINC000375174594 532540212 /nfs/dbraw/zinc/54/02/12/532540212.db2.gz HEPPHKRBFYLQMQ-ZDUSSCGKSA-N -1 3 395.257 2.370 20 10 GECDHM O=S(=O)(C1CC1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000376735875 532627305 /nfs/dbraw/zinc/62/73/05/532627305.db2.gz IPDHSWPQJSCVMC-UHFFFAOYSA-N -1 3 389.315 2.155 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)Cn1cncn1 ZINC000266793759 532724617 /nfs/dbraw/zinc/72/46/17/532724617.db2.gz IBXZVWFPTOKHSY-NSHDSACASA-N -1 3 382.262 2.366 20 10 GECDHM COC(=O)CN(CCCS(=O)(=O)C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000268240995 532758016 /nfs/dbraw/zinc/75/80/16/532758016.db2.gz RBHQGMWEOKCMCW-UHFFFAOYSA-N -1 3 377.890 2.234 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000268473712 532764756 /nfs/dbraw/zinc/76/47/56/532764756.db2.gz XBAKYUJVELYBNR-OAHLLOKOSA-N -1 3 382.463 2.039 20 10 GECDHM O=S(=O)(C[C@H](O)CNCc1cc(Cl)c(F)cc1[O-])c1cccs1 ZINC000293565601 532928778 /nfs/dbraw/zinc/92/87/78/532928778.db2.gz IJYCPQXDRUDXMC-SNVBAGLBSA-N -1 3 379.862 2.171 20 10 GECDHM COCCn1nnc2c1CCN(Cc1cc(Br)cc(C)c1[O-])C2 ZINC000293749491 532930900 /nfs/dbraw/zinc/93/09/00/532930900.db2.gz WROZPEAOKNCAFL-UHFFFAOYSA-N -1 3 381.274 2.259 20 10 GECDHM C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000368318007 532931471 /nfs/dbraw/zinc/93/14/71/532931471.db2.gz JYNSNIMETJXQMB-ZANVPECISA-N -1 3 397.248 2.483 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000737296270 598948478 /nfs/dbraw/zinc/94/84/78/598948478.db2.gz HXBSDRXCGNZCJV-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000737296270 598948479 /nfs/dbraw/zinc/94/84/79/598948479.db2.gz HXBSDRXCGNZCJV-UHFFFAOYSA-N -1 3 386.481 2.062 20 10 GECDHM Cc1cc(C(=O)NC[C@@H](C)C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235622 598953329 /nfs/dbraw/zinc/95/33/29/598953329.db2.gz WIDFZIPPEYHMKR-JSGCOSHPSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737270238 599017469 /nfs/dbraw/zinc/01/74/69/599017469.db2.gz LVZQPUJMHJGHFL-AWEZNQCLSA-N -1 3 380.452 2.325 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737098980 598334826 /nfs/dbraw/zinc/33/48/26/598334826.db2.gz JHQULASQAJEVCS-UHFFFAOYSA-N -1 3 378.436 2.274 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737098980 598334828 /nfs/dbraw/zinc/33/48/28/598334828.db2.gz JHQULASQAJEVCS-UHFFFAOYSA-N -1 3 378.436 2.274 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736479242 598543181 /nfs/dbraw/zinc/54/31/81/598543181.db2.gz FSOKNDUOCNSXBH-UHFFFAOYSA-N -1 3 396.455 2.001 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736479242 598543182 /nfs/dbraw/zinc/54/31/82/598543182.db2.gz FSOKNDUOCNSXBH-UHFFFAOYSA-N -1 3 396.455 2.001 20 10 GECDHM Cc1cc(C(=O)NCC2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234058 598611806 /nfs/dbraw/zinc/61/18/06/598611806.db2.gz JFOWYPPUZHWPJG-UHFFFAOYSA-N -1 3 380.452 2.431 20 10 GECDHM Cc1noc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737533924 598612615 /nfs/dbraw/zinc/61/26/15/598612615.db2.gz KSDORPZPOAYQNQ-LLVKDONJSA-N -1 3 392.423 2.457 20 10 GECDHM CCOC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736593192 598618782 /nfs/dbraw/zinc/61/87/82/598618782.db2.gz YZJRUZIARVUUAM-UHFFFAOYSA-N -1 3 396.451 2.299 20 10 GECDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N(Cc1ccco1)Cc1ccccc1O ZINC000823478091 599335999 /nfs/dbraw/zinc/33/59/99/599335999.db2.gz GGXNIGUFYKMPHO-UHFFFAOYSA-N -1 3 376.376 2.403 20 10 GECDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N(Cc1ccco1)Cc1ccccc1O ZINC000823478091 599336002 /nfs/dbraw/zinc/33/60/02/599336002.db2.gz GGXNIGUFYKMPHO-UHFFFAOYSA-N -1 3 376.376 2.403 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821837711 599466000 /nfs/dbraw/zinc/46/60/00/599466000.db2.gz GHKAEXSIZDVUCI-JTQLQIEISA-N -1 3 386.387 2.280 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821837711 599466002 /nfs/dbraw/zinc/46/60/02/599466002.db2.gz GHKAEXSIZDVUCI-JTQLQIEISA-N -1 3 386.387 2.280 20 10 GECDHM COC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCC1 ZINC000826124420 607630599 /nfs/dbraw/zinc/63/05/99/607630599.db2.gz RAAFWIALJQKPLE-UHFFFAOYSA-N -1 3 394.435 2.100 20 10 GECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826249065 607667024 /nfs/dbraw/zinc/66/70/24/607667024.db2.gz KCBAZTJYLDINAT-UHFFFAOYSA-N -1 3 396.426 2.081 20 10 GECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826249065 607667026 /nfs/dbraw/zinc/66/70/26/607667026.db2.gz KCBAZTJYLDINAT-UHFFFAOYSA-N -1 3 396.426 2.081 20 10 GECDHM CCN1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2F)CC1 ZINC000821275874 606076691 /nfs/dbraw/zinc/07/66/91/606076691.db2.gz DUKXXLFWAYPXQC-UHFFFAOYSA-N -1 3 382.447 2.155 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821839822 606696899 /nfs/dbraw/zinc/69/68/99/606696899.db2.gz ZBQJLKCVKJLUTH-MRVPVSSYSA-N -1 3 375.335 2.350 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821839822 606696900 /nfs/dbraw/zinc/69/69/00/606696900.db2.gz ZBQJLKCVKJLUTH-MRVPVSSYSA-N -1 3 375.335 2.350 20 10 GECDHM CCOC(=O)[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821315292 606805939 /nfs/dbraw/zinc/80/59/39/606805939.db2.gz RQLAQQITTCZYDQ-CQSZACIVSA-N -1 3 396.451 2.298 20 10 GECDHM Cc1cc(C(=O)NC[C@H]2COC(C)(C)O2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822175914 607218394 /nfs/dbraw/zinc/21/83/94/607218394.db2.gz BMJPLSUMJMMNSB-INIZCTEOSA-N -1 3 396.451 2.156 20 10 GECDHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)COc1ccc(N2CCCC2)cc1 ZINC000826503706 607876811 /nfs/dbraw/zinc/87/68/11/607876811.db2.gz DBGADXDBSQHKCX-KRWDZBQOSA-N -1 3 381.436 2.286 20 10 GECDHM CCc1nc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000093283302 643075792 /nfs/dbraw/zinc/07/57/92/643075792.db2.gz QIEZMMHDZVUQMG-UHFFFAOYSA-N -1 3 381.274 2.418 20 10 GECDHM O=C(CN1CCN(Cc2cc(Br)ccc2[O-])CC1)N1CCCCC1 ZINC000121839771 643643048 /nfs/dbraw/zinc/64/30/48/643643048.db2.gz BRZJHJJEBBKBKP-UHFFFAOYSA-N -1 3 396.329 2.285 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000736680275 651830305 /nfs/dbraw/zinc/83/03/05/651830305.db2.gz FFXYQVBTFHYJGH-UHFFFAOYSA-N -1 3 387.508 2.132 20 10 GECDHM Cc1cnc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)s1 ZINC000769919834 653190854 /nfs/dbraw/zinc/19/08/54/653190854.db2.gz GTNPDCCFNRYNAY-AWEZNQCLSA-N -1 3 381.479 2.410 20 10 GECDHM CC(C)N(CCc1nccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770109009 653198374 /nfs/dbraw/zinc/19/83/74/653198374.db2.gz CFWLJABXFGBRNH-UHFFFAOYSA-N -1 3 383.495 2.314 20 10 GECDHM CN(C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1)S(C)(=O)=O ZINC000809688300 653289437 /nfs/dbraw/zinc/28/94/37/653289437.db2.gz GSJMLXBMPOGWLN-GFCCVEGCSA-N -1 3 391.331 2.258 20 10 GECDHM NS(=O)(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC000877761726 653618818 /nfs/dbraw/zinc/61/88/18/653618818.db2.gz NMJJLTXEUAOCND-UHFFFAOYSA-N -1 3 397.294 2.360 20 10 GECDHM O=S(=O)(NC1CCCC1)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000781920366 653651873 /nfs/dbraw/zinc/65/18/73/653651873.db2.gz JHAIWUQVTJJWFX-UHFFFAOYSA-N -1 3 389.315 2.201 20 10 GECDHM COCCCN(Cc1c([O-])cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862214563 653679661 /nfs/dbraw/zinc/67/96/61/653679661.db2.gz VYLNXLSZQNHBQL-LBPRGKRZSA-N -1 3 392.315 2.180 20 10 GECDHM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000785495456 653710601 /nfs/dbraw/zinc/71/06/01/653710601.db2.gz QHEYFSMTQXLNSK-YLQAJVPDSA-N -1 3 388.917 2.107 20 10 GECDHM Cn1cc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)nc1Cl ZINC000796190957 653990659 /nfs/dbraw/zinc/99/06/59/653990659.db2.gz HHPINXNJTGHBRR-UHFFFAOYSA-N -1 3 380.651 2.020 20 10 GECDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)CCOC(C)C)c(F)c1 ZINC000830151160 654101966 /nfs/dbraw/zinc/10/19/66/654101966.db2.gz SIXPVIFTALQCBY-UHFFFAOYSA-N -1 3 382.479 2.144 20 10 GECDHM CN(C)c1ccc([C@@H](CNC(=O)CSc2n[n-]c(=S)s2)N(C)C)cc1 ZINC000891252839 654275636 /nfs/dbraw/zinc/27/56/36/654275636.db2.gz ODOJYTOHJRVHIY-CYBMUJFWSA-N -1 3 397.595 2.404 20 10 GECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(O)CCSCC1 ZINC000122628130 532077221 /nfs/dbraw/zinc/07/72/21/532077221.db2.gz JRVAVQLPPVEIOL-HNNXBMFYSA-N -1 3 384.929 2.384 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175850471 532116917 /nfs/dbraw/zinc/11/69/17/532116917.db2.gz KMDBVVDQAWSXNC-UHFFFAOYSA-N -1 3 383.202 2.308 20 10 GECDHM COc1cc(Cl)cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1[O-] ZINC000282731527 532491853 /nfs/dbraw/zinc/49/18/53/532491853.db2.gz MIIOMROYZBHAOA-UHFFFAOYSA-N -1 3 388.917 2.444 20 10 GECDHM CC(C)(C)c1csc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000264289053 532668112 /nfs/dbraw/zinc/66/81/12/532668112.db2.gz QXIHTMVZPUVABH-UHFFFAOYSA-N -1 3 383.495 2.448 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@H](C)SC ZINC000288053745 532815960 /nfs/dbraw/zinc/81/59/60/532815960.db2.gz FGQQTPIRDJKGQZ-JTQLQIEISA-N -1 3 389.315 2.371 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1c(C)cc(C)nc1=O ZINC000274222229 532844986 /nfs/dbraw/zinc/84/49/86/532844986.db2.gz RNNJAKXDOOVZJF-UHFFFAOYSA-N -1 3 394.269 2.377 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1c(C)onc1N ZINC000290748574 532888404 /nfs/dbraw/zinc/88/84/04/532888404.db2.gz MNQIPWPGFLYSQH-UHFFFAOYSA-N -1 3 390.259 2.244 20 10 GECDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSc1nccs1 ZINC000736171908 598894634 /nfs/dbraw/zinc/89/46/34/598894634.db2.gz ZOLNZGTYDGRXGG-NSHDSACASA-N -1 3 390.494 2.389 20 10 GECDHM COC(=O)CCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736912988 598610088 /nfs/dbraw/zinc/61/00/88/598610088.db2.gz LMEDELYAHJYQKM-UHFFFAOYSA-N -1 3 396.451 2.299 20 10 GECDHM Cc1cc(C(=O)NC[C@H](O)c2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233889 598619072 /nfs/dbraw/zinc/61/90/72/598619072.db2.gz HQWJQESKEREPKR-KRWDZBQOSA-N -1 3 392.419 2.331 20 10 GECDHM Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737239060 598621418 /nfs/dbraw/zinc/62/14/18/598621418.db2.gz ZJPIKFOMYWVKKA-ZDUSSCGKSA-N -1 3 394.435 2.098 20 10 GECDHM CCCCNC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736461431 598621698 /nfs/dbraw/zinc/62/16/98/598621698.db2.gz PNWYVFORKFKKOF-UHFFFAOYSA-N -1 3 396.451 2.347 20 10 GECDHM Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168028 599489160 /nfs/dbraw/zinc/48/91/60/599489160.db2.gz KXQDREYEBGDFFV-HXUWFJFHSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)NC[C@@](C)(O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168749 599489280 /nfs/dbraw/zinc/48/92/80/599489280.db2.gz QLBVIUVUIPINSQ-HXUWFJFHSA-N -1 3 380.452 2.165 20 10 GECDHM O=C([O-])/C=C\c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000833196382 601434990 /nfs/dbraw/zinc/43/49/90/601434990.db2.gz SETHHMWZHBUPQN-WRLNGNIRSA-N -1 3 375.425 2.384 20 10 GECDHM O=S(=O)(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826491911 607625394 /nfs/dbraw/zinc/62/53/94/607625394.db2.gz JSPKEGQJPYVWMP-UHFFFAOYSA-N -1 3 399.354 2.070 20 10 GECDHM O=S(=O)(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491911 607625395 /nfs/dbraw/zinc/62/53/95/607625395.db2.gz JSPKEGQJPYVWMP-UHFFFAOYSA-N -1 3 399.354 2.070 20 10 GECDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nnn[n-]2)cn1 ZINC000823289080 606276307 /nfs/dbraw/zinc/27/63/07/606276307.db2.gz ARBZAALTMMZNCS-UHFFFAOYSA-N -1 3 383.375 2.224 20 10 GECDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nn[n-]n2)cn1 ZINC000823289080 606276308 /nfs/dbraw/zinc/27/63/08/606276308.db2.gz ARBZAALTMMZNCS-UHFFFAOYSA-N -1 3 383.375 2.224 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821220982 606288690 /nfs/dbraw/zinc/28/86/90/606288690.db2.gz HFQKZBLVRFRJKZ-UHFFFAOYSA-N -1 3 391.229 2.325 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821220982 606288691 /nfs/dbraw/zinc/28/86/91/606288691.db2.gz HFQKZBLVRFRJKZ-UHFFFAOYSA-N -1 3 391.229 2.325 20 10 GECDHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259014 607941591 /nfs/dbraw/zinc/94/15/91/607941591.db2.gz DXCZTNBFPVXKCM-QZTJIDSGSA-N -1 3 380.452 2.308 20 10 GECDHM Cc1cc(C(=O)NCc2cnn(C)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826236200 608001027 /nfs/dbraw/zinc/00/10/27/608001027.db2.gz BSHOEUNWZRXMRJ-UHFFFAOYSA-N -1 3 390.451 2.246 20 10 GECDHM COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112100 608500425 /nfs/dbraw/zinc/50/04/25/608500425.db2.gz SGTUNVXPLIJHBO-APPDUMDISA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112100 608500427 /nfs/dbraw/zinc/50/04/27/608500427.db2.gz SGTUNVXPLIJHBO-APPDUMDISA-N -1 3 383.408 2.146 20 10 GECDHM CN(C)c1ccc(CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825878786 609193468 /nfs/dbraw/zinc/19/34/68/609193468.db2.gz FHVIFXJCZMOXHR-IBGZPJMESA-N -1 3 392.463 2.157 20 10 GECDHM CN(C)c1ccc(CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000825878786 609193470 /nfs/dbraw/zinc/19/34/70/609193470.db2.gz FHVIFXJCZMOXHR-IBGZPJMESA-N -1 3 392.463 2.157 20 10 GECDHM COc1ccc(N2CCCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826209166 609463982 /nfs/dbraw/zinc/46/39/82/609463982.db2.gz PKLWNLDIHPXXIG-UHFFFAOYSA-N -1 3 390.451 2.240 20 10 GECDHM COc1ccc(N2CCCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826209166 609463985 /nfs/dbraw/zinc/46/39/85/609463985.db2.gz PKLWNLDIHPXXIG-UHFFFAOYSA-N -1 3 390.451 2.240 20 10 GECDHM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000269815632 646062922 /nfs/dbraw/zinc/06/29/22/646062922.db2.gz DOIQMABISFUJMD-QMTHXVAHSA-N -1 3 384.479 2.067 20 10 GECDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000269925828 646073264 /nfs/dbraw/zinc/07/32/64/646073264.db2.gz BULISBXRWVIMPL-UHFFFAOYSA-N -1 3 381.523 2.139 20 10 GECDHM CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000768342945 653110738 /nfs/dbraw/zinc/11/07/38/653110738.db2.gz UULDZQUMKIQAPK-LBPRGKRZSA-N -1 3 377.304 2.058 20 10 GECDHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1=CC(=O)CS1 ZINC000807687231 653201763 /nfs/dbraw/zinc/20/17/63/653201763.db2.gz MEVOVQIBYLWMFW-UHFFFAOYSA-N -1 3 395.289 2.469 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2c([O-])cccc2Br)[C@H](C(=O)OC)C1 ZINC000862310267 653682936 /nfs/dbraw/zinc/68/29/36/653682936.db2.gz TYYWVYUMYLUVGZ-MFKMUULPSA-N -1 3 386.242 2.081 20 10 GECDHM COc1cc(N2CCN(Cc3c([O-])cccc3Br)CC2)ncn1 ZINC000862325472 653683154 /nfs/dbraw/zinc/68/31/54/653683154.db2.gz CDPXQLPDJSQQDI-UHFFFAOYSA-N -1 3 379.258 2.276 20 10 GECDHM CC[C@@H](CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC ZINC000817134440 653701379 /nfs/dbraw/zinc/70/13/79/653701379.db2.gz ORJCVPLSZKOBCH-HOTGVXAUSA-N -1 3 390.933 2.354 20 10 GECDHM CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840947512 653702856 /nfs/dbraw/zinc/70/28/56/653702856.db2.gz XGEYWDSIXQEFLP-UHFFFAOYSA-N -1 3 389.901 2.296 20 10 GECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000789767720 653781183 /nfs/dbraw/zinc/78/11/83/653781183.db2.gz CSJJIANBLPTWOM-ZDUSSCGKSA-N -1 3 389.315 2.155 20 10 GECDHM Cn1ncc(S(=O)(=O)[N-]CCCSc2nccs2)c1Br ZINC000866782712 653825098 /nfs/dbraw/zinc/82/50/98/653825098.db2.gz XSTMDAXDEBBDON-UHFFFAOYSA-N -1 3 397.345 2.100 20 10 GECDHM CCN(CC)C(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824542521 653900905 /nfs/dbraw/zinc/90/09/05/653900905.db2.gz VNVFHAYAZXJGKS-UHFFFAOYSA-N -1 3 384.318 2.141 20 10 GECDHM COCc1nc([C@H]2COCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000825460845 653930248 /nfs/dbraw/zinc/93/02/48/653930248.db2.gz AFBXGGYWTJJAAV-GFCCVEGCSA-N -1 3 384.230 2.258 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000797432930 654031620 /nfs/dbraw/zinc/03/16/20/654031620.db2.gz YXWNCHPCPZEIPM-UHFFFAOYSA-N -1 3 375.859 2.017 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000797432801 654031650 /nfs/dbraw/zinc/03/16/50/654031650.db2.gz TUJDTLKMPZJGMF-UHFFFAOYSA-N -1 3 389.886 2.325 20 10 GECDHM COCC1(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000830628140 654130328 /nfs/dbraw/zinc/13/03/28/654130328.db2.gz SJVOHDWUUYNFJI-HNNXBMFYSA-N -1 3 388.917 2.108 20 10 GECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000852340978 654234160 /nfs/dbraw/zinc/23/41/60/654234160.db2.gz AVXGNGZPKXVVJJ-STQMWFEESA-N -1 3 383.363 2.141 20 10 GECDHM CCN(Cc1cn(Cc2ncon2)nn1)Cc1cc(Br)ccc1[O-] ZINC000906274800 654424833 /nfs/dbraw/zinc/42/48/33/654424833.db2.gz ZPHXNHAJQAZFMT-UHFFFAOYSA-N -1 3 393.245 2.200 20 10 GECDHM O=C(NCc1c([O-])cccc1F)NCC1(n2cc(Br)cn2)CC1 ZINC000927118724 654594783 /nfs/dbraw/zinc/59/47/83/654594783.db2.gz HDKOMVSXLGCJAV-UHFFFAOYSA-N -1 3 383.221 2.479 20 10 GECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1 ZINC000056110009 531804719 /nfs/dbraw/zinc/80/47/19/531804719.db2.gz DCFNSWORYPTXDA-UHFFFAOYSA-N -1 3 385.848 2.189 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054149 532339708 /nfs/dbraw/zinc/33/97/08/532339708.db2.gz BRNIBYINKGKIDR-QMTHXVAHSA-N -1 3 379.258 2.344 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054905 532339768 /nfs/dbraw/zinc/33/97/68/532339768.db2.gz BVRCPNVIBQWXEX-YGRLFVJLSA-N -1 3 379.258 2.344 20 10 GECDHM C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187803720 532345641 /nfs/dbraw/zinc/34/56/41/532345641.db2.gz IJFXTORLSAGOBN-VHSXEESVSA-N -1 3 377.434 2.217 20 10 GECDHM C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187803684 532345698 /nfs/dbraw/zinc/34/56/98/532345698.db2.gz IJFXTORLSAGOBN-UWVGGRQHSA-N -1 3 377.434 2.217 20 10 GECDHM COc1cc(Br)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192047712 532381260 /nfs/dbraw/zinc/38/12/60/532381260.db2.gz LZEFMOPTUKIUJA-SNVBAGLBSA-N -1 3 378.288 2.172 20 10 GECDHM CC(C)NC(=O)CN1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000372391238 532388103 /nfs/dbraw/zinc/38/81/03/532388103.db2.gz GNHDPLPFDOIAPW-UHFFFAOYSA-N -1 3 384.318 2.187 20 10 GECDHM COCc1nc([C@H]2COCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000374798672 532518811 /nfs/dbraw/zinc/51/88/11/532518811.db2.gz IBAFEONKNXKEFE-GFCCVEGCSA-N -1 3 384.230 2.258 20 10 GECDHM COc1cc(Br)cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375384137 532552732 /nfs/dbraw/zinc/55/27/32/532552732.db2.gz JUHVEZHJXFPJHA-NXEZZACHSA-N -1 3 397.191 2.259 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)Cc1ccon1 ZINC000297951690 532614454 /nfs/dbraw/zinc/61/44/54/532614454.db2.gz ULSFKQUOVQMLFA-UHFFFAOYSA-N -1 3 396.241 2.150 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000366525052 532918517 /nfs/dbraw/zinc/91/85/17/532918517.db2.gz RKQYIWNMYWWJJX-CQSZACIVSA-N -1 3 391.221 2.174 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1cnccc1=O ZINC000293226580 532923804 /nfs/dbraw/zinc/92/38/04/532923804.db2.gz DBQIHDHFEMNPPU-UHFFFAOYSA-N -1 3 380.242 2.150 20 10 GECDHM Cc1cc(Br)cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1[O-] ZINC000367716437 532926729 /nfs/dbraw/zinc/92/67/29/532926729.db2.gz FBTGJRBGLVUHDS-AWEZNQCLSA-N -1 3 389.315 2.119 20 10 GECDHM C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1[O-] ZINC000368316106 532931454 /nfs/dbraw/zinc/93/14/54/532931454.db2.gz FBVLRHQVZBBBSL-GWCFXTLKSA-N -1 3 379.258 2.344 20 10 GECDHM CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Br)cc(OC)c2[O-])n1 ZINC000369783093 532940823 /nfs/dbraw/zinc/94/08/23/532940823.db2.gz HZBWGLLWDCONJD-NWDGAFQWSA-N -1 3 398.257 2.417 20 10 GECDHM COc1ccc(N(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000737098905 598985620 /nfs/dbraw/zinc/98/56/20/598985620.db2.gz HNSFRPGHBRLKPQ-UHFFFAOYSA-N -1 3 385.424 2.408 20 10 GECDHM COc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000737098905 598985621 /nfs/dbraw/zinc/98/56/21/598985621.db2.gz HNSFRPGHBRLKPQ-UHFFFAOYSA-N -1 3 385.424 2.408 20 10 GECDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820542373 599216186 /nfs/dbraw/zinc/21/61/86/599216186.db2.gz NKPGFZUFOAUSMY-ZDUSSCGKSA-N -1 3 394.435 2.126 20 10 GECDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000820542373 599216188 /nfs/dbraw/zinc/21/61/88/599216188.db2.gz NKPGFZUFOAUSMY-ZDUSSCGKSA-N -1 3 394.435 2.126 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736479904 598543241 /nfs/dbraw/zinc/54/32/41/598543241.db2.gz MAELYAFFHHBCQX-UHFFFAOYSA-N -1 3 396.455 2.001 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736479904 598543242 /nfs/dbraw/zinc/54/32/42/598543242.db2.gz MAELYAFFHHBCQX-UHFFFAOYSA-N -1 3 396.455 2.001 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228461 598610739 /nfs/dbraw/zinc/61/07/39/598610739.db2.gz ZZZWXTZDDWHYTB-UHFFFAOYSA-N -1 3 390.451 2.280 20 10 GECDHM Cc1cc(C(=O)OCc2nonc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737547660 599360436 /nfs/dbraw/zinc/36/04/36/599360436.db2.gz MSOALOSPBKIMAG-UHFFFAOYSA-N -1 3 379.380 2.323 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822205680 599464730 /nfs/dbraw/zinc/46/47/30/599464730.db2.gz DSNAKJPMKWCJPF-UHFFFAOYSA-N -1 3 383.431 2.380 20 10 GECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822205680 599464732 /nfs/dbraw/zinc/46/47/32/599464732.db2.gz DSNAKJPMKWCJPF-UHFFFAOYSA-N -1 3 383.431 2.380 20 10 GECDHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168771 599653375 /nfs/dbraw/zinc/65/33/75/599653375.db2.gz RRORTJWAGBFTCJ-CALCHBBNSA-N -1 3 378.436 2.278 20 10 GECDHM Cc1cc(C(=O)NCC(C)(C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258964 607512169 /nfs/dbraw/zinc/51/21/69/607512169.db2.gz CMUCCJJZWAPELW-UHFFFAOYSA-N -1 3 382.468 2.413 20 10 GECDHM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027692 605593432 /nfs/dbraw/zinc/59/34/32/605593432.db2.gz PCMQGRAEKXNHRF-XJKSGUPXSA-N -1 3 379.432 2.002 20 10 GECDHM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834027692 605593434 /nfs/dbraw/zinc/59/34/34/605593434.db2.gz PCMQGRAEKXNHRF-XJKSGUPXSA-N -1 3 379.432 2.002 20 10 GECDHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168102 606183239 /nfs/dbraw/zinc/18/32/39/606183239.db2.gz LOWNQQBHNIQFPO-NVXWUHKLSA-N -1 3 380.452 2.308 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821660391 606394282 /nfs/dbraw/zinc/39/42/82/606394282.db2.gz PJPSBFTYHMUXFP-JXMROGBWSA-N -1 3 395.491 2.083 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821611090 606535189 /nfs/dbraw/zinc/53/51/89/606535189.db2.gz QFJSJIQPIYPGJR-UHFFFAOYSA-N -1 3 384.465 2.037 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821611090 606535190 /nfs/dbraw/zinc/53/51/90/606535190.db2.gz QFJSJIQPIYPGJR-UHFFFAOYSA-N -1 3 384.465 2.037 20 10 GECDHM Cc1cc(C(=O)N[C@H](CCO)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167437 607063021 /nfs/dbraw/zinc/06/30/21/607063021.db2.gz FFILHOCNCOQUNE-GOSISDBHSA-N -1 3 382.468 2.411 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)c2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822510382 607217736 /nfs/dbraw/zinc/21/77/36/607217736.db2.gz MQEWSNATZXHRLV-LLVKDONJSA-N -1 3 392.423 2.457 20 10 GECDHM Cc1cc(C(=O)N2CCOC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258182 607825759 /nfs/dbraw/zinc/82/57/59/607825759.db2.gz CXVRQCWFMSBCBG-ZDUSSCGKSA-N -1 3 380.452 2.383 20 10 GECDHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000825893010 607927371 /nfs/dbraw/zinc/92/73/71/607927371.db2.gz YZPCCZYCTBVQKJ-UHFFFAOYSA-N -1 3 386.799 2.324 20 10 GECDHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000825893010 607927372 /nfs/dbraw/zinc/92/73/72/607927372.db2.gz YZPCCZYCTBVQKJ-UHFFFAOYSA-N -1 3 386.799 2.324 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259015 607941492 /nfs/dbraw/zinc/94/14/92/607941492.db2.gz DXCZTNBFPVXKCM-ROUUACIJSA-N -1 3 380.452 2.308 20 10 GECDHM CC[C@@H](OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000825155033 608104041 /nfs/dbraw/zinc/10/40/41/608104041.db2.gz XMXZBEWPEFNWEK-MRXNPFEDSA-N -1 3 383.408 2.383 20 10 GECDHM COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826111778 608500335 /nfs/dbraw/zinc/50/03/35/608500335.db2.gz MADBNOXBXRIGLC-APPDUMDISA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826111778 608500337 /nfs/dbraw/zinc/50/03/37/608500337.db2.gz MADBNOXBXRIGLC-APPDUMDISA-N -1 3 383.408 2.146 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000826280976 608545093 /nfs/dbraw/zinc/54/50/93/608545093.db2.gz YEIOFLXHRZJAEN-UHFFFAOYSA-N -1 3 379.468 2.391 20 10 GECDHM CCN(CC)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825415540 609187184 /nfs/dbraw/zinc/18/71/84/609187184.db2.gz CBGVJLLZXYCRBO-LJQANCHMSA-N -1 3 394.479 2.405 20 10 GECDHM CCN(CC)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825415540 609187185 /nfs/dbraw/zinc/18/71/85/609187185.db2.gz CBGVJLLZXYCRBO-LJQANCHMSA-N -1 3 394.479 2.405 20 10 GECDHM O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442172 609214150 /nfs/dbraw/zinc/21/41/50/609214150.db2.gz LNLKUEMNRWWMDY-LJQANCHMSA-N -1 3 392.463 2.207 20 10 GECDHM O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442172 609214152 /nfs/dbraw/zinc/21/41/52/609214152.db2.gz LNLKUEMNRWWMDY-LJQANCHMSA-N -1 3 392.463 2.207 20 10 GECDHM COC(=O)CN(CC(=O)N(C)CC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000111238315 643331018 /nfs/dbraw/zinc/33/10/18/643331018.db2.gz ZAYKVMVATMGBAO-UHFFFAOYSA-N -1 3 382.766 2.041 20 10 GECDHM COCCCN(Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120161182 643594517 /nfs/dbraw/zinc/59/45/17/643594517.db2.gz JKEUJHMCNFKLRS-CYBMUJFWSA-N -1 3 392.315 2.180 20 10 GECDHM CCN(CC)C(=O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000121910613 643646123 /nfs/dbraw/zinc/64/61/23/643646123.db2.gz JTHOGLNEBIXOQI-UHFFFAOYSA-N -1 3 384.318 2.141 20 10 GECDHM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159398499 644189841 /nfs/dbraw/zinc/18/98/41/644189841.db2.gz KORUPJOPIAPRCL-ZDUSSCGKSA-N -1 3 391.877 2.248 20 10 GECDHM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000159398645 644189983 /nfs/dbraw/zinc/18/99/83/644189983.db2.gz KORUPJOPIAPRCL-CYBMUJFWSA-N -1 3 391.877 2.248 20 10 GECDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NS(C)(=O)=O)cc3)ccc2O1 ZINC000729964611 651586261 /nfs/dbraw/zinc/58/62/61/651586261.db2.gz INXDZKTZQOIUMY-LLVKDONJSA-N -1 3 382.463 2.182 20 10 GECDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)c1 ZINC000749257164 652242468 /nfs/dbraw/zinc/24/24/68/652242468.db2.gz VCHJQIVZSQAHTO-UHFFFAOYSA-N -1 3 380.491 2.396 20 10 GECDHM Cc1cnc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)s1 ZINC000769919836 653190736 /nfs/dbraw/zinc/19/07/36/653190736.db2.gz GTNPDCCFNRYNAY-CQSZACIVSA-N -1 3 381.479 2.410 20 10 GECDHM CCS(=O)(=O)N1CCN(Cc2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000809725168 653292082 /nfs/dbraw/zinc/29/20/82/653292082.db2.gz KKTXFVGKZYAOEA-LLVKDONJSA-N -1 3 377.304 2.011 20 10 GECDHM Cc1csc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)n1 ZINC000874494005 653323799 /nfs/dbraw/zinc/32/37/99/653323799.db2.gz IVLNMQHXGIFNJV-NSHDSACASA-N -1 3 381.479 2.158 20 10 GECDHM [O-]c1cccc(Br)c1CN1CCN(CCc2cnccn2)CC1 ZINC000877703502 653617168 /nfs/dbraw/zinc/61/71/68/653617168.db2.gz MINXLWHCBNNWIJ-UHFFFAOYSA-N -1 3 377.286 2.305 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000781896401 653651429 /nfs/dbraw/zinc/65/14/29/653651429.db2.gz KCPQOQDZIJIWTL-CYBMUJFWSA-N -1 3 391.331 2.367 20 10 GECDHM CS(=O)(=O)NC[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862219231 653680194 /nfs/dbraw/zinc/68/01/94/653680194.db2.gz JHPDLRIEHYQJTC-NSHDSACASA-N -1 3 377.304 2.058 20 10 GECDHM O=C([C@H]1CCCCN1Cc1c([O-])cccc1Br)N1CCOCC1 ZINC000862239047 653681014 /nfs/dbraw/zinc/68/10/14/653681014.db2.gz SSZKUKNSIOVVND-OAHLLOKOSA-N -1 3 383.286 2.368 20 10 GECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862351303 653684088 /nfs/dbraw/zinc/68/40/88/653684088.db2.gz JZNNQXVSJJJCEJ-LBPRGKRZSA-N -1 3 389.315 2.155 20 10 GECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000789767718 653781194 /nfs/dbraw/zinc/78/11/94/653781194.db2.gz CSJJIANBLPTWOM-CYBMUJFWSA-N -1 3 389.315 2.155 20 10 GECDHM COc1cccc(Cl)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000791009056 653802552 /nfs/dbraw/zinc/80/25/52/653802552.db2.gz VGFYRAFXXMRBCU-UHFFFAOYSA-N -1 3 384.841 2.356 20 10 GECDHM Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000895376829 653830859 /nfs/dbraw/zinc/83/08/59/653830859.db2.gz ZRDJDPHZTHSWCJ-FPTDNZKUSA-N -1 3 384.299 2.194 20 10 GECDHM Cn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000895377677 653831098 /nfs/dbraw/zinc/83/10/98/653831098.db2.gz GDCRZTAXXGKFRO-JLCFBVMHSA-N -1 3 384.299 2.194 20 10 GECDHM O=C(CN1CCN(Cc2ccc(Br)cc2[O-])CC1)N1CCCCC1 ZINC000824542904 653901012 /nfs/dbraw/zinc/90/10/12/653901012.db2.gz ZQTYLDGCWDOITP-UHFFFAOYSA-N -1 3 396.329 2.285 20 10 GECDHM COC(=O)CN(Cc1nc(C(=O)OC)cs1)Cc1cc(Cl)ccc1[O-] ZINC000828293602 654032105 /nfs/dbraw/zinc/03/21/05/654032105.db2.gz PMYVGDWSNUQBHM-UHFFFAOYSA-N -1 3 384.841 2.464 20 10 GECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000917752296 654133541 /nfs/dbraw/zinc/13/35/41/654133541.db2.gz USFJQEQQDUUHGU-UHFFFAOYSA-N -1 3 388.442 2.397 20 10 GECDHM [O-]c1c(Br)cc(Br)cc1CN1CCOC2(CNC2)C1 ZINC000853248094 654289430 /nfs/dbraw/zinc/28/94/30/654289430.db2.gz ASGYKIYIULUWCG-UHFFFAOYSA-N -1 3 392.091 2.091 20 10 GECDHM O=c1[nH]c(=O)n(CC(F)(F)F)cc1CNCc1c([O-])ccc(Cl)c1F ZINC000922495414 654397765 /nfs/dbraw/zinc/39/77/65/654397765.db2.gz SXVQKWBHPZAJFN-UHFFFAOYSA-N -1 3 381.713 2.299 20 10 GECDHM COc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000913972620 654819815 /nfs/dbraw/zinc/81/98/15/654819815.db2.gz WEOXKTFOGZLYGI-LBPRGKRZSA-N -1 3 383.495 2.028 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCNC(=O)C(C)C ZINC000173435086 532011555 /nfs/dbraw/zinc/01/15/55/532011555.db2.gz QSASIFVWKYLYJQ-UHFFFAOYSA-N -1 3 386.290 2.458 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)C[S@@](C)=O ZINC000182575872 532315096 /nfs/dbraw/zinc/31/50/96/532315096.db2.gz ZABIOJWUBQUNHD-CHNSCGDPSA-N -1 3 377.304 2.453 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3c2cccc3Cl)c1 ZINC000371930808 532363222 /nfs/dbraw/zinc/36/32/22/532363222.db2.gz GXRZHUCDTAFZAF-CYBMUJFWSA-N -1 3 382.825 2.281 20 10 GECDHM COc1cc(Br)cc(CN2CC[C@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192047719 532381241 /nfs/dbraw/zinc/38/12/41/532381241.db2.gz LZEFMOPTUKIUJA-JTQLQIEISA-N -1 3 378.288 2.172 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCc1cnn(C)n1 ZINC000297522389 532593882 /nfs/dbraw/zinc/59/38/82/532593882.db2.gz XFMPHSNOIOCKON-UHFFFAOYSA-N -1 3 396.289 2.448 20 10 GECDHM CC(C)c1nc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1 ZINC000263817610 532642568 /nfs/dbraw/zinc/64/25/68/532642568.db2.gz SSKMNQFZKYDITB-UHFFFAOYSA-N -1 3 383.495 2.316 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCOCC1CC1 ZINC000285930512 532720407 /nfs/dbraw/zinc/72/04/07/532720407.db2.gz OISBYJQGBNYMQC-UHFFFAOYSA-N -1 3 399.285 2.046 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@@H]1CCSC1 ZINC000287065191 532781755 /nfs/dbraw/zinc/78/17/55/532781755.db2.gz UDMNIKDCQSUMGS-GFCCVEGCSA-N -1 3 387.299 2.125 20 10 GECDHM CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1COC[C@H]1O ZINC000289814481 532865505 /nfs/dbraw/zinc/86/55/05/532865505.db2.gz SYSYIDBFKUMPGQ-GHMZBOCLSA-N -1 3 381.064 2.109 20 10 GECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000360001709 532889112 /nfs/dbraw/zinc/88/91/12/532889112.db2.gz WJTUITREDZRSBX-QWHCGFSZSA-N -1 3 388.258 2.316 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000368318549 532931419 /nfs/dbraw/zinc/93/14/19/532931419.db2.gz MUHUZERJBUHPFH-MFKMUULPSA-N -1 3 379.258 2.344 20 10 GECDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSc1nccs1 ZINC000736171907 598894504 /nfs/dbraw/zinc/89/45/04/598894504.db2.gz ZOLNZGTYDGRXGG-LLVKDONJSA-N -1 3 390.494 2.389 20 10 GECDHM Cc1cc(C(=O)NCC(=O)OC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235146 599035524 /nfs/dbraw/zinc/03/55/24/599035524.db2.gz QZRZRSUFXDSINQ-UHFFFAOYSA-N -1 3 396.451 2.346 20 10 GECDHM Cc1cc(C(=O)OCCc2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184009 607322134 /nfs/dbraw/zinc/32/21/34/607322134.db2.gz NIXIQAYGRHPZLK-UHFFFAOYSA-N -1 3 377.408 2.397 20 10 GECDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)cn1 ZINC000736723947 598302052 /nfs/dbraw/zinc/30/20/52/598302052.db2.gz YYUZRVBSTFGGHB-NTUHNPAUSA-N -1 3 383.462 2.489 20 10 GECDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)cn1 ZINC000736723947 598302054 /nfs/dbraw/zinc/30/20/54/598302054.db2.gz YYUZRVBSTFGGHB-NTUHNPAUSA-N -1 3 383.462 2.489 20 10 GECDHM Cc1nn(-c2ccccc2)c(COC(=O)C2=CC(=O)CS2)c1-c1nnn[n-]1 ZINC000737504310 598723467 /nfs/dbraw/zinc/72/34/67/598723467.db2.gz SDJLFBVYALAOOB-UHFFFAOYSA-N -1 3 382.405 2.485 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737106617 598779193 /nfs/dbraw/zinc/77/91/93/598779193.db2.gz WCIJOWPTLNMKPS-NWDGAFQWSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737106617 598779194 /nfs/dbraw/zinc/77/91/94/598779194.db2.gz WCIJOWPTLNMKPS-NWDGAFQWSA-N -1 3 383.408 2.226 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821610763 599322641 /nfs/dbraw/zinc/32/26/41/599322641.db2.gz DHNAYAZOLHECPR-UHFFFAOYSA-N -1 3 395.423 2.248 20 10 GECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821610763 599322643 /nfs/dbraw/zinc/32/26/43/599322643.db2.gz DHNAYAZOLHECPR-UHFFFAOYSA-N -1 3 395.423 2.248 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)C1 ZINC000822860551 599488685 /nfs/dbraw/zinc/48/86/85/599488685.db2.gz XZVWRRRIUWZVRJ-CQSZACIVSA-N -1 3 395.442 2.320 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2)C1 ZINC000822860551 599488686 /nfs/dbraw/zinc/48/86/86/599488686.db2.gz XZVWRRRIUWZVRJ-CQSZACIVSA-N -1 3 395.442 2.320 20 10 GECDHM O=C([O-])/C=C/c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000833196383 601434944 /nfs/dbraw/zinc/43/49/44/601434944.db2.gz SETHHMWZHBUPQN-YERXGYGTSA-N -1 3 375.425 2.384 20 10 GECDHM CN(C)c1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1 ZINC000830639716 601975407 /nfs/dbraw/zinc/97/54/07/601975407.db2.gz NZEWXADLCRZWEK-UHFFFAOYSA-N -1 3 376.478 2.042 20 10 GECDHM NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cc2)C1 ZINC000831177894 603542493 /nfs/dbraw/zinc/54/24/93/603542493.db2.gz CLXMUZAEWILVPC-MRXNPFEDSA-N -1 3 383.452 2.163 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000826209436 607647465 /nfs/dbraw/zinc/64/74/65/607647465.db2.gz BMMNHUGNESPXTC-UHFFFAOYSA-N -1 3 378.436 2.146 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000826209436 607647467 /nfs/dbraw/zinc/64/74/67/607647467.db2.gz BMMNHUGNESPXTC-UHFFFAOYSA-N -1 3 378.436 2.146 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000833874679 605746358 /nfs/dbraw/zinc/74/63/58/605746358.db2.gz VZSXSUWTKRDZDO-UHFFFAOYSA-N -1 3 388.512 2.318 20 10 GECDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000820518334 606546387 /nfs/dbraw/zinc/54/63/87/606546387.db2.gz BJOAPPVQOOVYNS-AWEZNQCLSA-N -1 3 380.452 2.359 20 10 GECDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000820152051 606769902 /nfs/dbraw/zinc/76/99/02/606769902.db2.gz RYLWIRPJESGJDO-UHFFFAOYSA-N -1 3 398.423 2.429 20 10 GECDHM CN(C)c1ccc(CNC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000821589397 606786456 /nfs/dbraw/zinc/78/64/56/606786456.db2.gz LZHQZHRZJKBLKA-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM CN(C)c1ccc(CNC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821589397 606786458 /nfs/dbraw/zinc/78/64/58/606786458.db2.gz LZHQZHRZJKBLKA-UHFFFAOYSA-N -1 3 386.843 2.281 20 10 GECDHM COc1ccc(N(C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821827514 606881907 /nfs/dbraw/zinc/88/19/07/606881907.db2.gz DPFQYAIFKSDCIQ-AWEZNQCLSA-N -1 3 389.843 2.405 20 10 GECDHM Cc1cc(C(=O)N2CCC(C)(O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169055 607136843 /nfs/dbraw/zinc/13/68/43/607136843.db2.gz XQZUSOMPPHLIGN-UHFFFAOYSA-N -1 3 380.452 2.261 20 10 GECDHM COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826111780 608500431 /nfs/dbraw/zinc/50/04/31/608500431.db2.gz MADBNOXBXRIGLC-GTNSWQLSSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826111780 608500433 /nfs/dbraw/zinc/50/04/33/608500433.db2.gz MADBNOXBXRIGLC-GTNSWQLSSA-N -1 3 383.408 2.146 20 10 GECDHM Cc1cc(C(=O)NCCc2cnccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259984 608567065 /nfs/dbraw/zinc/56/70/65/608567065.db2.gz PPXDNGHDWYCMMD-UHFFFAOYSA-N -1 3 388.435 2.037 20 10 GECDHM Cc1cc(C(=O)NCCc2ccon2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260164 608820660 /nfs/dbraw/zinc/82/06/60/608820660.db2.gz ZIPHMYNNSNJVAK-UHFFFAOYSA-N -1 3 377.408 2.235 20 10 GECDHM CCN1C(=O)C(=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC000825445260 609302586 /nfs/dbraw/zinc/30/25/86/609302586.db2.gz YOBAKUMKTMEBCN-MDWZMJQESA-N -1 3 397.489 2.488 20 10 GECDHM CCN1C(=O)C(=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC000825445260 609302587 /nfs/dbraw/zinc/30/25/87/609302587.db2.gz YOBAKUMKTMEBCN-MDWZMJQESA-N -1 3 397.489 2.488 20 10 GECDHM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000159425815 644190039 /nfs/dbraw/zinc/19/00/39/644190039.db2.gz NAUGDDOFEUXRIZ-ZDUSSCGKSA-N -1 3 391.331 2.449 20 10 GECDHM COCCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000748765923 652216035 /nfs/dbraw/zinc/21/60/35/652216035.db2.gz BNVLBURJRMDAND-BENRWUELSA-N -1 3 386.520 2.424 20 10 GECDHM CC(=O)c1cc(Cl)cc(CN2CCc3ccc(S(N)(=O)=O)cc32)c1[O-] ZINC000750046493 652279838 /nfs/dbraw/zinc/27/98/38/652279838.db2.gz AYUYGAWVBYNDMI-UHFFFAOYSA-N -1 3 380.853 2.458 20 10 GECDHM COCC[C@H](C)S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000766504263 652883138 /nfs/dbraw/zinc/88/31/38/652883138.db2.gz ZIZNLAPLVCZHON-XJKSGUPXSA-N -1 3 390.933 2.354 20 10 GECDHM COCC[C@@H](C)S(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000766504262 652883270 /nfs/dbraw/zinc/88/32/70/652883270.db2.gz ZIZNLAPLVCZHON-CZUORRHYSA-N -1 3 390.933 2.354 20 10 GECDHM C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CN1CCN(C)CC1 ZINC000805180144 653103353 /nfs/dbraw/zinc/10/33/53/653103353.db2.gz DOIOOOSEWWFKOY-LBPRGKRZSA-N -1 3 389.327 2.382 20 10 GECDHM C[C@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1(Cl)Cl ZINC000836910274 653386867 /nfs/dbraw/zinc/38/68/67/653386867.db2.gz WYLVMEBGPZWOIZ-ZDUSSCGKSA-N -1 3 381.281 2.468 20 10 GECDHM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824905732 653912368 /nfs/dbraw/zinc/91/23/68/653912368.db2.gz BFCSRUUFSTUDAE-AWEZNQCLSA-N -1 3 396.329 2.283 20 10 GECDHM CCS(=O)(=O)N1CCN(Cc2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000825900237 653943457 /nfs/dbraw/zinc/94/34/57/653943457.db2.gz ILULEDIOFDPAEB-LLVKDONJSA-N -1 3 377.304 2.011 20 10 GECDHM CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825893424 653943663 /nfs/dbraw/zinc/94/36/63/653943663.db2.gz ZODWSPMZLRHDGQ-UHFFFAOYSA-N -1 3 389.901 2.296 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000797432484 654031572 /nfs/dbraw/zinc/03/15/72/654031572.db2.gz FLDCOFZGKFXYEO-UHFFFAOYSA-N -1 3 383.495 2.487 20 10 GECDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000797431438 654031634 /nfs/dbraw/zinc/03/16/34/654031634.db2.gz OMILELUMGIHZQE-UHFFFAOYSA-N -1 3 391.421 2.301 20 10 GECDHM O=S(=O)([N-]CC[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(F)cc1F ZINC000799736009 654108745 /nfs/dbraw/zinc/10/87/45/654108745.db2.gz FWQIFVNGTJCBRA-UHFFFAOYSA-N -1 3 376.812 2.392 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800580797 654150216 /nfs/dbraw/zinc/15/02/16/654150216.db2.gz UXNBCGSZDBWTQM-CQSZACIVSA-N -1 3 380.853 2.314 20 10 GECDHM O=C(NCCCO)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893942494 654432520 /nfs/dbraw/zinc/43/25/20/654432520.db2.gz CYQUQLIIZCNWKT-UHFFFAOYSA-N -1 3 389.265 2.004 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000911565519 654726444 /nfs/dbraw/zinc/72/64/44/654726444.db2.gz KHBFNDLYPUWMRB-GFCCVEGCSA-N -1 3 399.285 2.300 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)CS(C)(=O)=O ZINC000174904446 532082385 /nfs/dbraw/zinc/08/23/85/532082385.db2.gz NPSFJFBBWYRTAS-SNVBAGLBSA-N -1 3 393.303 2.119 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)Cc1ccon1 ZINC000123901995 532111031 /nfs/dbraw/zinc/11/10/31/532111031.db2.gz SVOKGEDWZDVRHV-UHFFFAOYSA-N -1 3 375.244 2.495 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1nc2ncccn2n1 ZINC000178720562 532211349 /nfs/dbraw/zinc/21/13/49/532211349.db2.gz PZZWZTCEFIFFBR-UHFFFAOYSA-N -1 3 390.241 2.184 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)C[C@@H]1CCCO1 ZINC000178827261 532213635 /nfs/dbraw/zinc/21/36/35/532213635.db2.gz WJFGEJOQDCJSRR-ZDUSSCGKSA-N -1 3 378.288 2.485 20 10 GECDHM COc1cc(Br)cc(CN2CCS(=O)(=O)CC[C@@H]2C)c1[O-] ZINC000192054374 532381033 /nfs/dbraw/zinc/38/10/33/532381033.db2.gz VGDMAZMDKZSZGZ-JTQLQIEISA-N -1 3 378.288 2.172 20 10 GECDHM CN(CCOCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000282676025 532488558 /nfs/dbraw/zinc/48/85/58/532488558.db2.gz HZAUKCVLOUYQRH-UHFFFAOYSA-N -1 3 383.080 2.358 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1nccs1 ZINC000284463699 532594724 /nfs/dbraw/zinc/59/47/24/532594724.db2.gz UAPOHINVDSVLFR-UHFFFAOYSA-N -1 3 398.282 2.276 20 10 GECDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(Br)ccc1[O-])C(F)(F)F ZINC000263663276 532633384 /nfs/dbraw/zinc/63/33/84/532633384.db2.gz HUMJJDUTMJXZGE-ZDUSSCGKSA-N -1 3 394.191 2.428 20 10 GECDHM COCc1ncc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000285719443 532700353 /nfs/dbraw/zinc/70/03/53/532700353.db2.gz FLWOZDLIGMRWRJ-UHFFFAOYSA-N -1 3 384.841 2.464 20 10 GECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000285527631 532687280 /nfs/dbraw/zinc/68/72/80/532687280.db2.gz HDKYMSDEQUTNAL-CYBMUJFWSA-N -1 3 388.917 2.352 20 10 GECDHM C[C@@]12CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@@H]1C2(Cl)Cl ZINC000286465799 532748963 /nfs/dbraw/zinc/74/89/63/532748963.db2.gz ZLCOPMYLCABMJH-GXTWGEPZSA-N -1 3 393.292 2.420 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2c2nccs2)c1 ZINC000274626921 532853074 /nfs/dbraw/zinc/85/30/74/532853074.db2.gz RJNKLGVSEXMKCP-LBPRGKRZSA-N -1 3 399.519 2.151 20 10 GECDHM CCn1nc2c(cc1=O)CN(Cc1cc(Br)cc(OC)c1[O-])CC2 ZINC000371326259 532947455 /nfs/dbraw/zinc/94/74/55/532947455.db2.gz IFCDALCDMLSZSL-UHFFFAOYSA-N -1 3 394.269 2.298 20 10 GECDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCSc1nccs1 ZINC000736186156 598894515 /nfs/dbraw/zinc/89/45/15/598894515.db2.gz XKJFBHXXPDLTGF-LLVKDONJSA-N -1 3 390.494 2.389 20 10 GECDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCSc1nccs1 ZINC000736186156 598894516 /nfs/dbraw/zinc/89/45/16/598894516.db2.gz XKJFBHXXPDLTGF-LLVKDONJSA-N -1 3 390.494 2.389 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233826 599241256 /nfs/dbraw/zinc/24/12/56/599241256.db2.gz LBCMHSGAGLHNHO-XJKSGUPXSA-N -1 3 380.452 2.429 20 10 GECDHM Oc1ccc(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1O ZINC000738401506 598317850 /nfs/dbraw/zinc/31/78/50/598317850.db2.gz TYKHDGGVBVWXRE-UHFFFAOYSA-N -1 3 390.856 2.460 20 10 GECDHM Oc1ccc(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1O ZINC000738401506 598317852 /nfs/dbraw/zinc/31/78/52/598317852.db2.gz TYKHDGGVBVWXRE-UHFFFAOYSA-N -1 3 390.856 2.460 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736479884 598423261 /nfs/dbraw/zinc/42/32/61/598423261.db2.gz KZRZZDNBZYLLMU-UHFFFAOYSA-N -1 3 397.435 2.399 20 10 GECDHM CCCN(Cc1ccccc1O)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736479884 598423263 /nfs/dbraw/zinc/42/32/63/598423263.db2.gz KZRZZDNBZYLLMU-UHFFFAOYSA-N -1 3 397.435 2.399 20 10 GECDHM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736278195 598497482 /nfs/dbraw/zinc/49/74/82/598497482.db2.gz DYDSLDNYQXMQOW-UHFFFAOYSA-N -1 3 377.452 2.428 20 10 GECDHM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736278195 598497485 /nfs/dbraw/zinc/49/74/85/598497485.db2.gz DYDSLDNYQXMQOW-UHFFFAOYSA-N -1 3 377.452 2.428 20 10 GECDHM CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736773441 598576051 /nfs/dbraw/zinc/57/60/51/598576051.db2.gz MNBLHZNKHYCXSX-IBGZPJMESA-N -1 3 391.479 2.218 20 10 GECDHM Cc1cc(C(=O)NO[C@@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236686 598611843 /nfs/dbraw/zinc/61/18/43/598611843.db2.gz QOFFCZATSGABCC-QGZVFWFLSA-N -1 3 382.424 2.462 20 10 GECDHM Cc1ccc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822259003 599461131 /nfs/dbraw/zinc/46/11/31/599461131.db2.gz JAVIZJHPIFHAEH-UHFFFAOYSA-N -1 3 380.452 2.454 20 10 GECDHM Cc1ccc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822259003 599461133 /nfs/dbraw/zinc/46/11/33/599461133.db2.gz JAVIZJHPIFHAEH-UHFFFAOYSA-N -1 3 380.452 2.454 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)C1 ZINC000822860550 599489182 /nfs/dbraw/zinc/48/91/82/599489182.db2.gz XZVWRRRIUWZVRJ-AWEZNQCLSA-N -1 3 395.442 2.320 20 10 GECDHM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2)C1 ZINC000822860550 599489185 /nfs/dbraw/zinc/48/91/85/599489185.db2.gz XZVWRRRIUWZVRJ-AWEZNQCLSA-N -1 3 395.442 2.320 20 10 GECDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000822645587 606276223 /nfs/dbraw/zinc/27/62/23/606276223.db2.gz GESDJZVXZZRUNX-UHFFFAOYSA-N -1 3 385.391 2.167 20 10 GECDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000822645587 606276225 /nfs/dbraw/zinc/27/62/25/606276225.db2.gz GESDJZVXZZRUNX-UHFFFAOYSA-N -1 3 385.391 2.167 20 10 GECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000823098211 606528462 /nfs/dbraw/zinc/52/84/62/606528462.db2.gz LNSJIBUENCVFGA-UHFFFAOYSA-N -1 3 394.504 2.279 20 10 GECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000823098211 606528464 /nfs/dbraw/zinc/52/84/64/606528464.db2.gz LNSJIBUENCVFGA-UHFFFAOYSA-N -1 3 394.504 2.279 20 10 GECDHM COc1ccc(N(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821827515 606881921 /nfs/dbraw/zinc/88/19/21/606881921.db2.gz DPFQYAIFKSDCIQ-CQSZACIVSA-N -1 3 389.843 2.405 20 10 GECDHM Cc1cc(C(=O)N2CCOC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258181 607825811 /nfs/dbraw/zinc/82/58/11/607825811.db2.gz CXVRQCWFMSBCBG-CYBMUJFWSA-N -1 3 380.452 2.383 20 10 GECDHM COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826111781 608500445 /nfs/dbraw/zinc/50/04/45/608500445.db2.gz MADBNOXBXRIGLC-PIGZYNQJSA-N -1 3 383.408 2.146 20 10 GECDHM COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826111781 608500447 /nfs/dbraw/zinc/50/04/47/608500447.db2.gz MADBNOXBXRIGLC-PIGZYNQJSA-N -1 3 383.408 2.146 20 10 GECDHM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257550 609178084 /nfs/dbraw/zinc/17/80/84/609178084.db2.gz HBGWBKYXGLTIPP-GOEBONIOSA-N -1 3 380.452 2.117 20 10 GECDHM O=C(NCc1ccccc1O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826443393 609364396 /nfs/dbraw/zinc/36/43/96/609364396.db2.gz MYXDFGBNULJAOG-UHFFFAOYSA-N -1 3 394.370 2.219 20 10 GECDHM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000159425952 644189925 /nfs/dbraw/zinc/18/99/25/644189925.db2.gz NAUGDDOFEUXRIZ-CYBMUJFWSA-N -1 3 391.331 2.449 20 10 GECDHM O=S(=O)(Cc1ccon1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161828587 644222301 /nfs/dbraw/zinc/22/23/01/644222301.db2.gz VFXGQKCQNBHRDE-CQSZACIVSA-N -1 3 385.873 2.118 20 10 GECDHM O=C(NCCCCN1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277376569 646410198 /nfs/dbraw/zinc/41/01/98/646410198.db2.gz HXSQXUNPKAULJY-UHFFFAOYSA-N -1 3 386.290 2.066 20 10 GECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cccc(Br)c3[O-])C2)nn1 ZINC000762795424 652719409 /nfs/dbraw/zinc/71/94/09/652719409.db2.gz WKPRPAIZSYJTPO-GFCCVEGCSA-N -1 3 395.257 2.370 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000809689341 653289349 /nfs/dbraw/zinc/28/93/49/653289349.db2.gz YFRSABZMJFBRPM-ZDUSSCGKSA-N -1 3 391.331 2.319 20 10 GECDHM CCS(=O)(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000809736444 653292995 /nfs/dbraw/zinc/29/29/95/653292995.db2.gz VFSPYIKHJLDDQA-UHFFFAOYSA-N -1 3 377.304 2.058 20 10 GECDHM CC[C@@H](CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)OC ZINC000817134439 653701393 /nfs/dbraw/zinc/70/13/93/653701393.db2.gz ORJCVPLSZKOBCH-CVEARBPZSA-N -1 3 390.933 2.354 20 10 GECDHM CNC(=O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000817415647 653710817 /nfs/dbraw/zinc/71/08/17/653710817.db2.gz WDDOOMVWJNIRKC-QMMMGPOBSA-N -1 3 392.091 2.485 20 10 GECDHM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000818047075 653724551 /nfs/dbraw/zinc/72/45/51/653724551.db2.gz INLKOMCRQCVIKC-UHFFFAOYSA-N -1 3 384.479 2.022 20 10 GECDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000787797824 653743990 /nfs/dbraw/zinc/74/39/90/653743990.db2.gz VYPFIDPDGRVCBK-UHFFFAOYSA-N -1 3 392.253 2.290 20 10 GECDHM O=C(NCCCNC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000790626328 653794521 /nfs/dbraw/zinc/79/45/21/653794521.db2.gz DZEHGHCMDPLLCX-UHFFFAOYSA-N -1 3 393.237 2.410 20 10 GECDHM Cn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000895377679 653831053 /nfs/dbraw/zinc/83/10/53/653831053.db2.gz GDCRZTAXXGKFRO-RCDICMHDSA-N -1 3 384.299 2.194 20 10 GECDHM CCc1nc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)no1 ZINC000824769514 653907834 /nfs/dbraw/zinc/90/78/34/653907834.db2.gz VXGIWOAZHQWCMM-UHFFFAOYSA-N -1 3 381.274 2.418 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2[O-])[C@H](C(=O)OC)C1 ZINC000825468435 653930194 /nfs/dbraw/zinc/93/01/94/653930194.db2.gz LRXQOSLOHGTLFO-MFKMUULPSA-N -1 3 386.242 2.081 20 10 GECDHM COCCNC(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893918322 654431279 /nfs/dbraw/zinc/43/12/79/654431279.db2.gz AJWTZQDKKOZIIS-UHFFFAOYSA-N -1 3 389.265 2.268 20 10 GECDHM COCCN(CCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000180025441 532254937 /nfs/dbraw/zinc/25/49/37/532254937.db2.gz CLMQXLOCWVRJEC-UHFFFAOYSA-N -1 3 383.080 2.358 20 10 GECDHM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184691778 532334563 /nfs/dbraw/zinc/33/45/63/532334563.db2.gz ODZQEIDGUSKKRX-UHFFFAOYSA-N -1 3 376.906 2.300 20 10 GECDHM COCc1nc([C@@H]2COCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000374798673 532519229 /nfs/dbraw/zinc/51/92/29/532519229.db2.gz IBAFEONKNXKEFE-LBPRGKRZSA-N -1 3 384.230 2.258 20 10 GECDHM O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000275164703 532866783 /nfs/dbraw/zinc/86/67/83/532866783.db2.gz ZXJZHXYMOGYNNA-MRVPVSSYSA-N -1 3 381.738 2.454 20 10 GECDHM Cn1nncc1CNCc1cc(Br)cc(Br)c1[O-] ZINC000290119418 532872816 /nfs/dbraw/zinc/87/28/16/532872816.db2.gz IRRXGXHANQDBTN-UHFFFAOYSA-N -1 3 376.052 2.336 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000365785472 532911859 /nfs/dbraw/zinc/91/18/59/532911859.db2.gz FSCPLCGFHNKMNP-CQSZACIVSA-N -1 3 391.221 2.174 20 10 GECDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1F ZINC000293530976 532928373 /nfs/dbraw/zinc/92/83/73/532928373.db2.gz PKSOGFOMUCVOLN-UHFFFAOYSA-N -1 3 380.367 2.123 20 10 GECDHM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176330 599188787 /nfs/dbraw/zinc/18/87/87/599188787.db2.gz JKQQRKNLNWHBTP-YJBOKZPZSA-N -1 3 380.452 2.165 20 10 GECDHM Cc1cc(C(=O)OCc2noc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737476883 598292094 /nfs/dbraw/zinc/29/20/94/598292094.db2.gz HUXNOWJRPIAQOO-UHFFFAOYSA-N -1 3 379.380 2.323 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000737097984 598334924 /nfs/dbraw/zinc/33/49/24/598334924.db2.gz AQMXIZDSPIHZLQ-UHFFFAOYSA-N -1 3 384.465 2.336 20 10 GECDHM COc1ccc(N2CCC(NC(=O)c3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000737097984 598334926 /nfs/dbraw/zinc/33/49/26/598334926.db2.gz AQMXIZDSPIHZLQ-UHFFFAOYSA-N -1 3 384.465 2.336 20 10 GECDHM CCCCN(CC(N)=O)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736455882 598610047 /nfs/dbraw/zinc/61/00/47/598610047.db2.gz DWQAXYDHPPAGEB-UHFFFAOYSA-N -1 3 395.467 2.002 20 10 GECDHM CC[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736328102 598621813 /nfs/dbraw/zinc/62/18/13/598621813.db2.gz VDZQQPYKTSDZBY-LBPRGKRZSA-N -1 3 396.451 2.346 20 10 GECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736773473 598656912 /nfs/dbraw/zinc/65/69/12/598656912.db2.gz NRJCLMWKKAJGAR-UHFFFAOYSA-N -1 3 386.456 2.480 20 10 GECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736773473 598656914 /nfs/dbraw/zinc/65/69/14/598656914.db2.gz NRJCLMWKKAJGAR-UHFFFAOYSA-N -1 3 386.456 2.480 20 10 GECDHM CCOC(=O)c1cnn2c1[nH]c(CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])cc2=O ZINC000829890388 601201919 /nfs/dbraw/zinc/20/19/19/601201919.db2.gz QFPXXYFBZSSRLJ-PXAZEXFGSA-N -1 3 398.419 2.163 20 10 GECDHM Cc1cc(C(=O)OCc2ccnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261569 607618652 /nfs/dbraw/zinc/61/86/52/607618652.db2.gz KEGDVTJRHSEBLO-UHFFFAOYSA-N -1 3 377.408 2.365 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825981914 607625889 /nfs/dbraw/zinc/62/58/89/607625889.db2.gz ZZJIQKMRERVBNC-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825981914 607625891 /nfs/dbraw/zinc/62/58/91/607625891.db2.gz ZZJIQKMRERVBNC-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000828355280 603789781 /nfs/dbraw/zinc/78/97/81/603789781.db2.gz KVWBZNJYVFBCHN-UHFFFAOYSA-N -1 3 376.501 2.222 20 10 GECDHM COc1ccc(O)c([C@H](C)NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833733937 605127932 /nfs/dbraw/zinc/12/79/32/605127932.db2.gz WAASDOHZPPWZMO-SCLBCKFNSA-N -1 3 384.432 2.090 20 10 GECDHM C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820334591 606535728 /nfs/dbraw/zinc/53/57/28/606535728.db2.gz OOYJVZGBDDEGMN-HNNXBMFYSA-N -1 3 392.463 2.123 20 10 GECDHM C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820334591 606535730 /nfs/dbraw/zinc/53/57/30/606535730.db2.gz OOYJVZGBDDEGMN-HNNXBMFYSA-N -1 3 392.463 2.123 20 10 GECDHM O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000823356859 606643889 /nfs/dbraw/zinc/64/38/89/606643889.db2.gz PHSQZMKREKCQGY-UHFFFAOYSA-N -1 3 396.366 2.289 20 10 GECDHM O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000823356859 606643890 /nfs/dbraw/zinc/64/38/90/606643890.db2.gz PHSQZMKREKCQGY-UHFFFAOYSA-N -1 3 396.366 2.289 20 10 GECDHM Cc1cc(C(=O)N[C@@H](CCO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258314 607940992 /nfs/dbraw/zinc/94/09/92/607940992.db2.gz HCVXLWMISLEZJM-SFHVURJKSA-N -1 3 380.452 2.165 20 10 GECDHM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@H]1O ZINC000825203216 608039603 /nfs/dbraw/zinc/03/96/03/608039603.db2.gz MULKABIUDSPOSR-KBXCAEBGSA-N -1 3 380.452 2.117 20 10 GECDHM Cc1cc(C(=O)N[C@@H](CO)CC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258318 608172037 /nfs/dbraw/zinc/17/20/37/608172037.db2.gz HDZKKGKZHMVDNG-MRXNPFEDSA-N -1 3 380.452 2.165 20 10 GECDHM COc1ccc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000826210023 608590981 /nfs/dbraw/zinc/59/09/81/608590981.db2.gz AWIKRYYTTHKRAM-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM COc1ccc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000826210023 608590984 /nfs/dbraw/zinc/59/09/84/608590984.db2.gz AWIKRYYTTHKRAM-UHFFFAOYSA-N -1 3 396.451 2.154 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825416723 609204265 /nfs/dbraw/zinc/20/42/65/609204265.db2.gz LMHFYCFIKDAKQV-GOSISDBHSA-N -1 3 380.452 2.063 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825416723 609204267 /nfs/dbraw/zinc/20/42/67/609204267.db2.gz LMHFYCFIKDAKQV-GOSISDBHSA-N -1 3 380.452 2.063 20 10 GECDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)s1 ZINC000267214572 645888050 /nfs/dbraw/zinc/88/80/50/645888050.db2.gz RNPOXSOKECUYHT-UHFFFAOYSA-N -1 3 384.479 2.088 20 10 GECDHM Cc1csc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)n1 ZINC000271419450 646203952 /nfs/dbraw/zinc/20/39/52/646203952.db2.gz QYPYCDFNHOGPOV-CQSZACIVSA-N -1 3 381.479 2.410 20 10 GECDHM COC(C)(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000809819364 653301011 /nfs/dbraw/zinc/30/10/11/653301011.db2.gz RESLRGHZDADWQO-OAHLLOKOSA-N -1 3 390.933 2.354 20 10 GECDHM NS(=O)(=O)c1cccc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000877761988 653618838 /nfs/dbraw/zinc/61/88/38/653618838.db2.gz WERXRLLGZKPGET-UHFFFAOYSA-N -1 3 397.294 2.360 20 10 GECDHM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000895377678 653831151 /nfs/dbraw/zinc/83/11/51/653831151.db2.gz GDCRZTAXXGKFRO-PEBXRYMYSA-N -1 3 384.299 2.194 20 10 GECDHM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000895378218 653831168 /nfs/dbraw/zinc/83/11/68/653831168.db2.gz HZTWOXXWWZUIOE-PEBXRYMYSA-N -1 3 384.299 2.194 20 10 GECDHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)C2)cc1 ZINC000849416628 654028146 /nfs/dbraw/zinc/02/81/46/654028146.db2.gz UFTARSIECFADME-LLVKDONJSA-N -1 3 385.848 2.440 20 10 GECDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000155414126 531682066 /nfs/dbraw/zinc/68/20/66/531682066.db2.gz IWMYWLYYYWFNEX-UHFFFAOYSA-N -1 3 386.470 2.211 20 10 GECDHM O=S(=O)([C@H]1CCN(Cc2cc(Br)ccc2[O-])C1)N1CCCC1 ZINC000180742546 532279149 /nfs/dbraw/zinc/27/91/49/532279149.db2.gz XGYAWZBGIHKJAP-AWEZNQCLSA-N -1 3 389.315 2.155 20 10 GECDHM CC(C)NS(=O)(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000374260154 532496056 /nfs/dbraw/zinc/49/60/56/532496056.db2.gz SYPUQFSBVXWMOZ-ZDUSSCGKSA-N -1 3 377.304 2.057 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccnc2c1nnn2C ZINC000283142091 532521133 /nfs/dbraw/zinc/52/11/33/532521133.db2.gz IUCCRDRLMFSWQW-UHFFFAOYSA-N -1 3 390.241 2.494 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCSCC1 ZINC000297998648 532617065 /nfs/dbraw/zinc/61/70/65/532617065.db2.gz XZJRPCKPWMXTPW-UHFFFAOYSA-N -1 3 387.299 2.079 20 10 GECDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Br)ccc1[O-] ZINC000272507603 532816306 /nfs/dbraw/zinc/81/63/06/532816306.db2.gz IFYKBYYWAMYCAG-GXFFZTMASA-N -1 3 386.242 2.081 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1[O-] ZINC000368318550 532931523 /nfs/dbraw/zinc/93/15/23/532931523.db2.gz MUHUZERJBUHPFH-ZWNOBZJWSA-N -1 3 379.258 2.344 20 10 GECDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCSc1nccs1 ZINC000736186159 598894637 /nfs/dbraw/zinc/89/46/37/598894637.db2.gz XKJFBHXXPDLTGF-NSHDSACASA-N -1 3 390.494 2.389 20 10 GECDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCSc1nccs1 ZINC000736186159 598894639 /nfs/dbraw/zinc/89/46/39/598894639.db2.gz XKJFBHXXPDLTGF-NSHDSACASA-N -1 3 390.494 2.389 20 10 GECDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000737297738 598954928 /nfs/dbraw/zinc/95/49/28/598954928.db2.gz KQJZQDDFMKEWOV-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000737297738 598954929 /nfs/dbraw/zinc/95/49/29/598954929.db2.gz KQJZQDDFMKEWOV-UHFFFAOYSA-N -1 3 398.492 2.036 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821589518 599216322 /nfs/dbraw/zinc/21/63/22/599216322.db2.gz RDAJGSMQPOTTLP-UHFFFAOYSA-N -1 3 396.476 2.450 20 10 GECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821589518 599216323 /nfs/dbraw/zinc/21/63/23/599216323.db2.gz RDAJGSMQPOTTLP-UHFFFAOYSA-N -1 3 396.476 2.450 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233819 599240949 /nfs/dbraw/zinc/24/09/49/599240949.db2.gz LBCMHSGAGLHNHO-CJNGLKHVSA-N -1 3 380.452 2.429 20 10 GECDHM Cc1cc(C(=O)N[C@@H](C)Cn2cccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234306 598610655 /nfs/dbraw/zinc/61/06/55/598610655.db2.gz PEQVBBIKIBFONU-ZDUSSCGKSA-N -1 3 390.451 2.289 20 10 GECDHM CCC(CC)(NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O ZINC000736336062 598611417 /nfs/dbraw/zinc/61/14/17/598611417.db2.gz YVQIUPAMCUGYFK-UHFFFAOYSA-N -1 3 395.467 2.048 20 10 GECDHM CC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000736315698 598611626 /nfs/dbraw/zinc/61/16/26/598611626.db2.gz QKKZRBWLZNZSRJ-FQEVSTJZSA-N -1 3 396.451 2.346 20 10 GECDHM CC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736328100 598621468 /nfs/dbraw/zinc/62/14/68/598621468.db2.gz VDZQQPYKTSDZBY-GFCCVEGCSA-N -1 3 396.451 2.346 20 10 GECDHM CCCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736479130 598622556 /nfs/dbraw/zinc/62/25/56/598622556.db2.gz ATIDGFQRHPINRX-AWEZNQCLSA-N -1 3 396.451 2.346 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738104123 598626928 /nfs/dbraw/zinc/62/69/28/598626928.db2.gz UAHFVPVTZZRRFK-UHFFFAOYSA-N -1 3 397.414 2.164 20 10 GECDHM O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738104123 598626929 /nfs/dbraw/zinc/62/69/29/598626929.db2.gz UAHFVPVTZZRRFK-UHFFFAOYSA-N -1 3 397.414 2.164 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737106618 598779028 /nfs/dbraw/zinc/77/90/28/598779028.db2.gz WCIJOWPTLNMKPS-RYUDHWBXSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737106618 598779029 /nfs/dbraw/zinc/77/90/29/598779029.db2.gz WCIJOWPTLNMKPS-RYUDHWBXSA-N -1 3 383.408 2.226 20 10 GECDHM COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105519 598779033 /nfs/dbraw/zinc/77/90/33/598779033.db2.gz IJJBNJVQCUUDDI-VXGBXAGGSA-N -1 3 383.408 2.226 20 10 GECDHM Cc1cc(C(=O)NC[C@]2(C)CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235442 598813591 /nfs/dbraw/zinc/81/35/91/598813591.db2.gz UZWGNBUIVAWVRK-FQEVSTJZSA-N -1 3 380.452 2.431 20 10 GECDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000822191311 599324030 /nfs/dbraw/zinc/32/40/30/599324030.db2.gz IBLCCXARZWYLBX-UHFFFAOYSA-N -1 3 379.468 2.352 20 10 GECDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000822191311 599324033 /nfs/dbraw/zinc/32/40/33/599324033.db2.gz IBLCCXARZWYLBX-UHFFFAOYSA-N -1 3 379.468 2.352 20 10 GECDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823044640 599489301 /nfs/dbraw/zinc/48/93/01/599489301.db2.gz XZSITDIBEXUAPD-UHFFFAOYSA-N -1 3 379.420 2.146 20 10 GECDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823044640 599489304 /nfs/dbraw/zinc/48/93/04/599489304.db2.gz XZSITDIBEXUAPD-UHFFFAOYSA-N -1 3 379.420 2.146 20 10 GECDHM CCN(CC)c1ccc(CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736533331 599581648 /nfs/dbraw/zinc/58/16/48/599581648.db2.gz ZHKBFUGCFSMBJZ-LJQANCHMSA-N -1 3 393.495 2.371 20 10 GECDHM O=C([O-])/C=C\c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000833196381 601434889 /nfs/dbraw/zinc/43/48/89/601434889.db2.gz SETHHMWZHBUPQN-GMNBZTITSA-N -1 3 375.425 2.384 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1F ZINC000826209520 607702794 /nfs/dbraw/zinc/70/27/94/607702794.db2.gz GGGHAOQWAQRFEB-UHFFFAOYSA-N -1 3 396.426 2.285 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1F ZINC000826209520 607702796 /nfs/dbraw/zinc/70/27/96/607702796.db2.gz GGGHAOQWAQRFEB-UHFFFAOYSA-N -1 3 396.426 2.285 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821589690 606318507 /nfs/dbraw/zinc/31/85/07/606318507.db2.gz YYDFAZYUWBTTMJ-KRWDZBQOSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821589690 606318509 /nfs/dbraw/zinc/31/85/09/606318509.db2.gz YYDFAZYUWBTTMJ-KRWDZBQOSA-N -1 3 395.467 2.082 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)cc1F ZINC000821832096 606624855 /nfs/dbraw/zinc/62/48/55/606624855.db2.gz ZKPVOMKFCXMHND-UHFFFAOYSA-N -1 3 388.428 2.038 20 10 GECDHM COc1ccc(N2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)cc1F ZINC000821832096 606624857 /nfs/dbraw/zinc/62/48/57/606624857.db2.gz ZKPVOMKFCXMHND-UHFFFAOYSA-N -1 3 388.428 2.038 20 10 GECDHM O=[N+]([O-])c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-c1nnn[n-]1 ZINC000823635503 606646099 /nfs/dbraw/zinc/64/60/99/606646099.db2.gz YQVXRFYIDBJWPM-UHFFFAOYSA-N -1 3 381.396 2.224 20 10 GECDHM CCOC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821326045 606758326 /nfs/dbraw/zinc/75/83/26/606758326.db2.gz RODMMRWKBCJVQQ-LBPRGKRZSA-N -1 3 396.451 2.346 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823197376 607097473 /nfs/dbraw/zinc/09/74/73/607097473.db2.gz SZTRHMGAFZRNSE-UHFFFAOYSA-N -1 3 393.473 2.444 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823197376 607097475 /nfs/dbraw/zinc/09/74/75/607097475.db2.gz SZTRHMGAFZRNSE-UHFFFAOYSA-N -1 3 393.473 2.444 20 10 GECDHM Cc1cc(C(=O)OCCc2ccnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822182941 607132951 /nfs/dbraw/zinc/13/29/51/607132951.db2.gz FJXUIHNGJLFUPN-UHFFFAOYSA-N -1 3 391.435 2.407 20 10 GECDHM CN(C)c1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000825879747 607842724 /nfs/dbraw/zinc/84/27/24/607842724.db2.gz QTQYWLQOOCRPAD-UHFFFAOYSA-N -1 3 388.888 2.468 20 10 GECDHM CN(C)c1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000825879747 607842725 /nfs/dbraw/zinc/84/27/25/607842725.db2.gz QTQYWLQOOCRPAD-UHFFFAOYSA-N -1 3 388.888 2.468 20 10 GECDHM CN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc2c(c1)OCO2 ZINC000825999286 607927425 /nfs/dbraw/zinc/92/74/25/607927425.db2.gz VDGUEEBGHGHZBA-UHFFFAOYSA-N -1 3 377.364 2.282 20 10 GECDHM CN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc2c(c1)OCO2 ZINC000825999286 607927426 /nfs/dbraw/zinc/92/74/26/607927426.db2.gz VDGUEEBGHGHZBA-UHFFFAOYSA-N -1 3 377.364 2.282 20 10 GECDHM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(Cl)ccc1O ZINC000826138120 608690687 /nfs/dbraw/zinc/69/06/87/608690687.db2.gz FLHGRGSPCOPFOJ-UHFFFAOYSA-N -1 3 393.856 2.462 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434548 609213387 /nfs/dbraw/zinc/21/33/87/609213387.db2.gz ANBNPVMAMOQHSN-SFHVURJKSA-N -1 3 380.452 2.015 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434548 609213389 /nfs/dbraw/zinc/21/33/89/609213389.db2.gz ANBNPVMAMOQHSN-SFHVURJKSA-N -1 3 380.452 2.015 20 10 GECDHM CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825429184 609219672 /nfs/dbraw/zinc/21/96/72/609219672.db2.gz XZVGDDLLDKEFMV-UHFFFAOYSA-N -1 3 391.229 2.325 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(Br)c2)c1 ZINC000055217109 642770657 /nfs/dbraw/zinc/77/06/57/642770657.db2.gz BRSRDJRFWRMSIS-UHFFFAOYSA-N -1 3 399.266 2.456 20 10 GECDHM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093843137 643080988 /nfs/dbraw/zinc/08/09/88/643080988.db2.gz IHUTVMZEZZYENA-CQSZACIVSA-N -1 3 396.329 2.283 20 10 GECDHM CCCS(=O)(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000129775701 643826759 /nfs/dbraw/zinc/82/67/59/643826759.db2.gz VTZCIDDCISBGRE-UHFFFAOYSA-N -1 3 391.331 2.449 20 10 GECDHM CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000289309525 646930837 /nfs/dbraw/zinc/93/08/37/646930837.db2.gz DOBDEPDUMDXJAE-ZDUSSCGKSA-N -1 3 377.304 2.011 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3cccc(Cl)c32)c1 ZINC000365670085 647680752 /nfs/dbraw/zinc/68/07/52/647680752.db2.gz DUBLPHVELKLFGZ-GFCCVEGCSA-N -1 3 382.825 2.281 20 10 GECDHM O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000760577463 652615869 /nfs/dbraw/zinc/61/58/69/652615869.db2.gz QNDURTMWLMRSEN-GFCCVEGCSA-N -1 3 380.238 2.441 20 10 GECDHM C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CN1CCN(C)CC1 ZINC000805180143 653103453 /nfs/dbraw/zinc/10/34/53/653103453.db2.gz DOIOOOSEWWFKOY-GFCCVEGCSA-N -1 3 389.327 2.382 20 10 GECDHM COCCN(Cc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769655586 653168964 /nfs/dbraw/zinc/16/89/64/653168964.db2.gz CKWXPGZUCGYHOK-UHFFFAOYSA-N -1 3 384.479 2.114 20 10 GECDHM C[C@@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1(Cl)Cl ZINC000836910273 653386857 /nfs/dbraw/zinc/38/68/57/653386857.db2.gz WYLVMEBGPZWOIZ-CYBMUJFWSA-N -1 3 381.281 2.468 20 10 GECDHM [O-]c1c(Br)cccc1CN1CCN(CCc2cnccn2)CC1 ZINC000877703381 653617205 /nfs/dbraw/zinc/61/72/05/653617205.db2.gz FVRXDFQDAZTSSD-UHFFFAOYSA-N -1 3 377.286 2.305 20 10 GECDHM Cn1cnc(-c2nnc3n2CCN(Cc2cc(Br)ccc2[O-])C3)c1 ZINC000877745682 653618242 /nfs/dbraw/zinc/61/82/42/653618242.db2.gz HVNYFWNTKANAQZ-UHFFFAOYSA-N -1 3 389.257 2.163 20 10 GECDHM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862251279 653682116 /nfs/dbraw/zinc/68/21/16/653682116.db2.gz ZMPYFBXIEGUHNO-AWEZNQCLSA-N -1 3 396.329 2.283 20 10 GECDHM COC(=O)[C@@H]1CCN(Cc2c([O-])cccc2Br)[C@@H](C(=O)OC)C1 ZINC000862310268 653682949 /nfs/dbraw/zinc/68/29/49/653682949.db2.gz TYYWVYUMYLUVGZ-ZWNOBZJWSA-N -1 3 386.242 2.081 20 10 GECDHM CN(Cc1c([O-])cccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000862383789 653684792 /nfs/dbraw/zinc/68/47/92/653684792.db2.gz ZOANQUVSJAUQRZ-NSHDSACASA-N -1 3 389.290 2.472 20 10 GECDHM O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc(O)c1[O-] ZINC000817028833 653698481 /nfs/dbraw/zinc/69/84/81/653698481.db2.gz QAYIEQZMTJCEPO-LBPRGKRZSA-N -1 3 377.194 2.006 20 10 GECDHM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000785495452 653710513 /nfs/dbraw/zinc/71/05/13/653710513.db2.gz QHEYFSMTQXLNSK-NUTKFTJISA-N -1 3 388.917 2.107 20 10 GECDHM CNC(=O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000817415646 653710736 /nfs/dbraw/zinc/71/07/36/653710736.db2.gz WDDOOMVWJNIRKC-MRVPVSSYSA-N -1 3 392.091 2.485 20 10 GECDHM CCS(=O)(CC)=NS(=O)(=O)[N-]C1CCN(c2ccc(OC)cc2)CC1 ZINC000866709468 653813551 /nfs/dbraw/zinc/81/35/51/653813551.db2.gz JYCYQTKRLZDPLT-UHFFFAOYSA-N -1 3 389.543 2.006 20 10 GECDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829687556 654076683 /nfs/dbraw/zinc/07/66/83/654076683.db2.gz LKRVLPGTCYBKHK-UHFFFAOYSA-N -1 3 382.463 2.400 20 10 GECDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCSc2nccs2)s1 ZINC000805001302 654333213 /nfs/dbraw/zinc/33/32/13/654333213.db2.gz MSVWRIIFRHNALX-UHFFFAOYSA-N -1 3 378.526 2.019 20 10 GECDHM COC(=O)CN(Cc1ncc(C(=O)OC)s1)Cc1cc(Cl)ccc1[O-] ZINC000894014976 654438839 /nfs/dbraw/zinc/43/88/39/654438839.db2.gz VLKLERVGSOMTLU-UHFFFAOYSA-N -1 3 384.841 2.464 20 10 GECDHM Cn1nc(Br)nc1CNCc1cc(Br)ccc1[O-] ZINC000894754458 654497425 /nfs/dbraw/zinc/49/74/25/654497425.db2.gz CJKSIOUVQBATRQ-UHFFFAOYSA-N -1 3 376.052 2.336 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000120992047 532007880 /nfs/dbraw/zinc/00/78/80/532007880.db2.gz OSYWVNBAFLXURY-CYBMUJFWSA-N -1 3 384.318 2.139 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000175847030 532117442 /nfs/dbraw/zinc/11/74/42/532117442.db2.gz OZBDVSVFQWRLLK-NSHDSACASA-N -1 3 390.299 2.328 20 10 GECDHM C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054592 532339623 /nfs/dbraw/zinc/33/96/23/532339623.db2.gz GHIDWEVDNXGORL-OTYXRUKQSA-N -1 3 397.248 2.483 20 10 GECDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054133 532339758 /nfs/dbraw/zinc/33/97/58/532339758.db2.gz BRNIBYINKGKIDR-IINYFYTJSA-N -1 3 379.258 2.344 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1nccn(C)c1=O ZINC000183867436 532329713 /nfs/dbraw/zinc/32/97/13/532329713.db2.gz PBVALNSWGVJXES-UHFFFAOYSA-N -1 3 381.230 2.302 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000190189824 532355126 /nfs/dbraw/zinc/35/51/26/532355126.db2.gz JREWKUDUHZXMCJ-QMTHXVAHSA-N -1 3 378.288 2.484 20 10 GECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3c2cccc3Cl)c1 ZINC000371930809 532363104 /nfs/dbraw/zinc/36/31/04/532363104.db2.gz GXRZHUCDTAFZAF-ZDUSSCGKSA-N -1 3 382.825 2.281 20 10 GECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Br)ccc3[O-])C2)nn1 ZINC000375174590 532539684 /nfs/dbraw/zinc/53/96/84/532539684.db2.gz HEPPHKRBFYLQMQ-CYBMUJFWSA-N -1 3 395.257 2.370 20 10 GECDHM Cc1cc(Br)cc(CN2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000529639745 532610500 /nfs/dbraw/zinc/61/05/00/532610500.db2.gz KJIZOJHGZQWPMX-UHFFFAOYSA-N -1 3 389.315 2.073 20 10 GECDHM CN1CCN(C(=O)C2CCN(Cc3cc(Br)ccc3[O-])CC2)CC1 ZINC000289981387 532869674 /nfs/dbraw/zinc/86/96/74/532869674.db2.gz ZXJRWKVFUHCETL-UHFFFAOYSA-N -1 3 396.329 2.141 20 10 GECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000366525050 532918640 /nfs/dbraw/zinc/91/86/40/532918640.db2.gz RKQYIWNMYWWJJX-AWEZNQCLSA-N -1 3 391.221 2.174 20 10 GECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736772124 599066119 /nfs/dbraw/zinc/06/61/19/599066119.db2.gz BCYLAOGRJWMXMV-UHFFFAOYSA-N -1 3 386.456 2.480 20 10 GECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736772124 599066122 /nfs/dbraw/zinc/06/61/22/599066122.db2.gz BCYLAOGRJWMXMV-UHFFFAOYSA-N -1 3 386.456 2.480 20 10 GECDHM COc1cccc(CNC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1O ZINC000737131569 598321269 /nfs/dbraw/zinc/32/12/69/598321269.db2.gz RHFRTFKLEPCAJZ-SFHVURJKSA-N -1 3 397.435 2.301 20 10 GECDHM COc1cccc(CNC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1O ZINC000737131569 598321270 /nfs/dbraw/zinc/32/12/70/598321270.db2.gz RHFRTFKLEPCAJZ-SFHVURJKSA-N -1 3 397.435 2.301 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736820247 598329052 /nfs/dbraw/zinc/32/90/52/598329052.db2.gz TWWAHZGIBRQBSI-UHFFFAOYSA-N -1 3 383.431 2.413 20 10 GECDHM CN(C)c1ccc(CN(C)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736820247 598329053 /nfs/dbraw/zinc/32/90/53/598329053.db2.gz TWWAHZGIBRQBSI-UHFFFAOYSA-N -1 3 383.431 2.413 20 10 GECDHM Cc1cc(C(=O)N[C@H](C)Cn2cccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234305 598610547 /nfs/dbraw/zinc/61/05/47/598610547.db2.gz PEQVBBIKIBFONU-CYBMUJFWSA-N -1 3 390.451 2.289 20 10 GECDHM Cc1cc(C(=O)NCc2ccnc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737502298 598611035 /nfs/dbraw/zinc/61/10/35/598611035.db2.gz VHEKNEQIHUWWPF-UHFFFAOYSA-N -1 3 388.435 2.303 20 10 GECDHM CCOC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736587215 598611630 /nfs/dbraw/zinc/61/16/30/598611630.db2.gz TUNWVGGIGJLCRP-UHFFFAOYSA-N -1 3 396.451 2.346 20 10 GECDHM Cc1cc(C(=O)OCc2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242956 598623351 /nfs/dbraw/zinc/62/33/51/598623351.db2.gz QLBXNJLSGJDAPC-UHFFFAOYSA-N -1 3 377.408 2.365 20 10 GECDHM COc1cccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1O ZINC000737132452 598720485 /nfs/dbraw/zinc/72/04/85/598720485.db2.gz YDYINJKDPWRNPM-UHFFFAOYSA-N -1 3 397.435 2.446 20 10 GECDHM COc1cccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1O ZINC000737132452 598720486 /nfs/dbraw/zinc/72/04/86/598720486.db2.gz YDYINJKDPWRNPM-UHFFFAOYSA-N -1 3 397.435 2.446 20 10 GECDHM Cc1cc(C(=O)N(C)c2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168459 599651112 /nfs/dbraw/zinc/65/11/12/599651112.db2.gz NBBNZKRNCPPSFC-UHFFFAOYSA-N -1 3 376.424 2.284 20 10 GECDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826475853 607757082 /nfs/dbraw/zinc/75/70/82/607757082.db2.gz SVCDQVBDKHGUFD-CYBMUJFWSA-N -1 3 385.449 2.455 20 10 GECDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826475853 607757083 /nfs/dbraw/zinc/75/70/83/607757083.db2.gz SVCDQVBDKHGUFD-CYBMUJFWSA-N -1 3 385.449 2.455 20 10 GECDHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168098 606183180 /nfs/dbraw/zinc/18/31/80/606183180.db2.gz LOWNQQBHNIQFPO-DOTOQJQBSA-N -1 3 380.452 2.308 20 10 GECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821610996 606275632 /nfs/dbraw/zinc/27/56/32/606275632.db2.gz NBTBSWRPCGPOIS-UHFFFAOYSA-N -1 3 379.468 2.468 20 10 GECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821610996 606275634 /nfs/dbraw/zinc/27/56/34/606275634.db2.gz NBTBSWRPCGPOIS-UHFFFAOYSA-N -1 3 379.468 2.468 20 10 GECDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000820518335 606546480 /nfs/dbraw/zinc/54/64/80/606546480.db2.gz BJOAPPVQOOVYNS-CQSZACIVSA-N -1 3 380.452 2.359 20 10 GECDHM COc1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1F ZINC000821831850 606634023 /nfs/dbraw/zinc/63/40/23/606634023.db2.gz PJIYDIDWYSIQQV-UHFFFAOYSA-N -1 3 389.822 2.389 20 10 GECDHM COc1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1F ZINC000821831850 606634024 /nfs/dbraw/zinc/63/40/24/606634024.db2.gz PJIYDIDWYSIQQV-UHFFFAOYSA-N -1 3 389.822 2.389 20 10 GECDHM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821315290 606805737 /nfs/dbraw/zinc/80/57/37/606805737.db2.gz RQLAQQITTCZYDQ-AWEZNQCLSA-N -1 3 396.451 2.298 20 10 GECDHM Cc1cc(C(=O)NCCC[C@@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259132 608005908 /nfs/dbraw/zinc/00/59/08/608005908.db2.gz IVKHLKUOEMTGFS-CYBMUJFWSA-N -1 3 382.468 2.413 20 10 GECDHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCOc2cc(N(C)C)ccc21 ZINC000824045280 608087529 /nfs/dbraw/zinc/08/75/29/608087529.db2.gz KQRAHOIGZVTFRH-CYBMUJFWSA-N -1 3 393.451 2.159 20 10 GECDHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCOc2cc(N(C)C)ccc21 ZINC000824045280 608087530 /nfs/dbraw/zinc/08/75/30/608087530.db2.gz KQRAHOIGZVTFRH-CYBMUJFWSA-N -1 3 393.451 2.159 20 10 GECDHM COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826213089 608259392 /nfs/dbraw/zinc/25/93/92/608259392.db2.gz KTYFWWCAANMHCO-UHFFFAOYSA-N -1 3 392.463 2.334 20 10 GECDHM COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826213089 608259394 /nfs/dbraw/zinc/25/93/94/608259394.db2.gz KTYFWWCAANMHCO-UHFFFAOYSA-N -1 3 392.463 2.334 20 10 GECDHM CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000825241941 608333951 /nfs/dbraw/zinc/33/39/51/608333951.db2.gz FEKCEUNYEKTQPG-KRWDZBQOSA-N -1 3 396.451 2.346 20 10 GECDHM CCS(=O)(=O)c1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000280547208 646693888 /nfs/dbraw/zinc/69/38/88/646693888.db2.gz JUYXOWGSPQGMFP-UHFFFAOYSA-N -1 3 386.451 2.454 20 10 GECDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NS(C)(=O)=O)cc3)ccc2O1 ZINC000729964612 651586185 /nfs/dbraw/zinc/58/61/85/651586185.db2.gz INXDZKTZQOIUMY-NSHDSACASA-N -1 3 382.463 2.182 20 10 GECDHM O=S(=O)(C[C@H]1CCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751362022 652342581 /nfs/dbraw/zinc/34/25/81/652342581.db2.gz VMWXVPQTBNAANA-JKSUJKDBSA-N -1 3 388.917 2.108 20 10 GECDHM COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000768289035 653108741 /nfs/dbraw/zinc/10/87/41/653108741.db2.gz PHGHBVRRUDPCOY-UHFFFAOYSA-N -1 3 384.841 2.356 20 10 GECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000781901407 653651515 /nfs/dbraw/zinc/65/15/15/653651515.db2.gz SGOAQOROXNMBGH-GFCCVEGCSA-N -1 3 391.331 2.224 20 10 GECDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2Cl)nc1)N1CCOCC1 ZINC000783637123 653682314 /nfs/dbraw/zinc/68/23/14/653682314.db2.gz DCPHRAUPVNYCLL-UHFFFAOYSA-N -1 3 383.857 2.074 20 10 GECDHM COCCNC(=O)C1(N[C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000840821235 653695384 /nfs/dbraw/zinc/69/53/84/653695384.db2.gz BBPLYEKDHFSODX-SECBINFHSA-N -1 3 375.238 2.240 20 10 GECDHM Cn1cccc1C(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824542013 653900938 /nfs/dbraw/zinc/90/09/38/653900938.db2.gz NNTGASDAEOFGSV-UHFFFAOYSA-N -1 3 378.270 2.451 20 10 GECDHM O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Br)cc(F)c3[O-])C2)nc[n-]1 ZINC000898149775 653955463 /nfs/dbraw/zinc/95/54/63/653955463.db2.gz GWVWTOWBNFNNGX-NSHDSACASA-N -1 3 383.221 2.158 20 10 GECDHM CSc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000798039906 654049159 /nfs/dbraw/zinc/04/91/59/654049159.db2.gz AQJWRRNAWHRKJS-UHFFFAOYSA-N -1 3 380.491 2.458 20 10 GECDHM C[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000903228242 654229350 /nfs/dbraw/zinc/22/93/50/654229350.db2.gz XRMALSIHXWQARK-QMMMGPOBSA-N -1 3 389.326 2.407 20 10 GECDHM CC(=O)c1cc(F)cc(CN2CCc3sc(S(N)(=O)=O)cc3C2)c1[O-] ZINC000852735762 654258139 /nfs/dbraw/zinc/25/81/39/654258139.db2.gz JKJXRNQCWIIXPC-UHFFFAOYSA-N -1 3 384.454 2.001 20 10 GECDHM CN(Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894841838 654502145 /nfs/dbraw/zinc/50/21/45/654502145.db2.gz YKFUIAGFYUJBNL-NSHDSACASA-N -1 3 397.722 2.274 20 10 GECDHM COc1ncc(S(=O)(=O)[N-]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000914045005 654823023 /nfs/dbraw/zinc/82/30/23/654823023.db2.gz FBBRZODNLCLIJC-UHFFFAOYSA-N -1 3 383.495 2.108 20 10 GECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1(O)CCSCC1 ZINC000122628339 532077468 /nfs/dbraw/zinc/07/74/68/532077468.db2.gz JRVAVQLPPVEIOL-OAHLLOKOSA-N -1 3 384.929 2.384 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cn(C)c(C)n1 ZINC000123906099 532110537 /nfs/dbraw/zinc/11/05/37/532110537.db2.gz DZFNLCIRRMTLRT-UHFFFAOYSA-N -1 3 388.287 2.407 20 10 GECDHM CCCS(=O)(=O)NC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000180018369 532254074 /nfs/dbraw/zinc/25/40/74/532254074.db2.gz WNMFYIYLLSBWCH-UHFFFAOYSA-N -1 3 391.331 2.449 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)C[S@](C)=O ZINC000182575855 532315066 /nfs/dbraw/zinc/31/50/66/532315066.db2.gz ZABIOJWUBQUNHD-UZJPJQLHSA-N -1 3 377.304 2.453 20 10 GECDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054560 532339745 /nfs/dbraw/zinc/33/97/45/532339745.db2.gz GHIDWEVDNXGORL-YMTOWFKASA-N -1 3 397.248 2.483 20 10 GECDHM [O-]c1c(Br)cc(Br)cc1CN[C@@]1(CO)CCOC1 ZINC000184187855 532331050 /nfs/dbraw/zinc/33/10/50/532331050.db2.gz YDFZXBPMVCLZCZ-GFCCVEGCSA-N -1 3 381.064 2.158 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cn(C)nc1C ZINC000287624779 532803716 /nfs/dbraw/zinc/80/37/16/532803716.db2.gz BBFCJQCNWVQOAW-UHFFFAOYSA-N -1 3 388.287 2.407 20 10 GECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000288586343 532832787 /nfs/dbraw/zinc/83/27/87/532832787.db2.gz HVPDKPSZYJKGBK-AWEZNQCLSA-N -1 3 399.285 2.189 20 10 GECDHM Cc1nc2c(s1)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000367853380 532928160 /nfs/dbraw/zinc/92/81/60/532928160.db2.gz FOJZAMMQDHCLQO-CYBMUJFWSA-N -1 3 381.479 2.336 20 10 GECDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCCSc1nccs1 ZINC000737918590 598894962 /nfs/dbraw/zinc/89/49/62/598894962.db2.gz FGLLXAVFPFOLQA-UHFFFAOYSA-N -1 3 376.467 2.001 20 10 GECDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000738101194 599013308 /nfs/dbraw/zinc/01/33/08/599013308.db2.gz GZBSYQDDIXTZBN-UHFFFAOYSA-N -1 3 375.436 2.242 20 10 GECDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NCc1ccc(N2CC=CC2)cc1 ZINC000738101194 599013310 /nfs/dbraw/zinc/01/33/10/599013310.db2.gz GZBSYQDDIXTZBN-UHFFFAOYSA-N -1 3 375.436 2.242 20 10 GECDHM COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105515 598778991 /nfs/dbraw/zinc/77/89/91/598778991.db2.gz IJJBNJVQCUUDDI-NWDGAFQWSA-N -1 3 383.408 2.226 20 10 GECDHM CCN1CCN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2F)CC1 ZINC000736568821 599431517 /nfs/dbraw/zinc/43/15/17/599431517.db2.gz NSAKBTWSXHXFAA-UHFFFAOYSA-N -1 3 382.447 2.155 20 10 GECDHM O=C([O-])/C=C/c1ccc(N2CCN(CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000739623340 600207649 /nfs/dbraw/zinc/20/76/49/600207649.db2.gz DSFHCHRVDBPXJL-DUXPYHPUSA-N -1 3 375.425 2.241 20 10 GECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822928255 607452125 /nfs/dbraw/zinc/45/21/25/607452125.db2.gz FUMKKWWXFZZFSI-FNORWQNLSA-N -1 3 377.360 2.287 20 10 GECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822928255 607452126 /nfs/dbraw/zinc/45/21/26/607452126.db2.gz FUMKKWWXFZZFSI-FNORWQNLSA-N -1 3 377.360 2.287 20 10 GECDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nnn[n-]1 ZINC000826202646 607568075 /nfs/dbraw/zinc/56/80/75/607568075.db2.gz HFWWNWLQGQRSPR-UHFFFAOYSA-N -1 3 390.787 2.432 20 10 GECDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nn[n-]n1 ZINC000826202646 607568077 /nfs/dbraw/zinc/56/80/77/607568077.db2.gz HFWWNWLQGQRSPR-UHFFFAOYSA-N -1 3 390.787 2.432 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825878719 607714938 /nfs/dbraw/zinc/71/49/38/607714938.db2.gz CQFGVWAADUQHKC-INIZCTEOSA-N -1 3 395.467 2.082 20 10 GECDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825878719 607714940 /nfs/dbraw/zinc/71/49/40/607714940.db2.gz CQFGVWAADUQHKC-INIZCTEOSA-N -1 3 395.467 2.082 20 10 GECDHM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821660392 606393978 /nfs/dbraw/zinc/39/39/78/606393978.db2.gz PJPSBFTYHMUXFP-YFHOEESVSA-N -1 3 395.491 2.083 20 10 GECDHM C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820334592 606535450 /nfs/dbraw/zinc/53/54/50/606535450.db2.gz OOYJVZGBDDEGMN-OAHLLOKOSA-N -1 3 392.463 2.123 20 10 GECDHM C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820334592 606535452 /nfs/dbraw/zinc/53/54/52/606535452.db2.gz OOYJVZGBDDEGMN-OAHLLOKOSA-N -1 3 392.463 2.123 20 10 GECDHM COc1ccc(N2CCC(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821832052 606545933 /nfs/dbraw/zinc/54/59/33/606545933.db2.gz XTXYYZUTCYXPRF-UHFFFAOYSA-N -1 3 392.463 2.203 20 10 GECDHM COc1ccc(N2CCC(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821832052 606545935 /nfs/dbraw/zinc/54/59/35/606545935.db2.gz XTXYYZUTCYXPRF-UHFFFAOYSA-N -1 3 392.463 2.203 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821221732 606574296 /nfs/dbraw/zinc/57/42/96/606574296.db2.gz LZJNLYSNXICIBH-UHFFFAOYSA-N -1 3 380.452 2.360 20 10 GECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821221732 606574298 /nfs/dbraw/zinc/57/42/98/606574298.db2.gz LZJNLYSNXICIBH-UHFFFAOYSA-N -1 3 380.452 2.360 20 10 GECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823087173 606596703 /nfs/dbraw/zinc/59/67/03/606596703.db2.gz IYDMPDDUWVNCKJ-GOSISDBHSA-N -1 3 393.447 2.323 20 10 GECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823087173 606596705 /nfs/dbraw/zinc/59/67/05/606596705.db2.gz IYDMPDDUWVNCKJ-GOSISDBHSA-N -1 3 393.447 2.323 20 10 GECDHM CCc1nnc(N2CCN(c3ccc(OC)cc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529169 606915718 /nfs/dbraw/zinc/91/57/18/606915718.db2.gz VCUKNAXWFKSTRC-UHFFFAOYSA-N -1 3 394.483 2.117 20 10 GECDHM CCc1nnc(N2CCN(c3ccc(OC)cc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529169 606915720 /nfs/dbraw/zinc/91/57/20/606915720.db2.gz VCUKNAXWFKSTRC-UHFFFAOYSA-N -1 3 394.483 2.117 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823198016 607097696 /nfs/dbraw/zinc/09/76/96/607097696.db2.gz XGPLBCHDPZHCBG-UHFFFAOYSA-N -1 3 393.473 2.444 20 10 GECDHM O=C(NCCCSc1nccs1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823198016 607097697 /nfs/dbraw/zinc/09/76/97/607097697.db2.gz XGPLBCHDPZHCBG-UHFFFAOYSA-N -1 3 393.473 2.444 20 10 GECDHM Cc1cc(C(=O)N[C@](C)(CO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258623 607994413 /nfs/dbraw/zinc/99/44/13/607994413.db2.gz PZRDODYEWCHLOU-HXUWFJFHSA-N -1 3 380.452 2.165 20 10 GECDHM Cc1cc(C(=O)N(CCCO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257848 608205531 /nfs/dbraw/zinc/20/55/31/608205531.db2.gz QJLAMICAHHFLHB-UHFFFAOYSA-N -1 3 380.452 2.261 20 10 GECDHM CN(C)c1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)cc1 ZINC000825879126 608589596 /nfs/dbraw/zinc/58/95/96/608589596.db2.gz HPSMSNSIWYBRKL-UHFFFAOYSA-N -1 3 394.483 2.120 20 10 GECDHM CN(C)c1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1 ZINC000825879126 608589599 /nfs/dbraw/zinc/58/95/99/608589599.db2.gz HPSMSNSIWYBRKL-UHFFFAOYSA-N -1 3 394.483 2.120 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825416726 609204601 /nfs/dbraw/zinc/20/46/01/609204601.db2.gz LMHFYCFIKDAKQV-SFHVURJKSA-N -1 3 380.452 2.063 20 10 GECDHM CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825416726 609204603 /nfs/dbraw/zinc/20/46/03/609204603.db2.gz LMHFYCFIKDAKQV-SFHVURJKSA-N -1 3 380.452 2.063 20 10 GECDHM Cc1cc(C(=O)N(C)Cc2noc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826325662 609351845 /nfs/dbraw/zinc/35/18/45/609351845.db2.gz HHROJGIURDJIQE-UHFFFAOYSA-N -1 3 392.423 2.238 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825980870 609549636 /nfs/dbraw/zinc/54/96/36/609549636.db2.gz JSUYBXLLNYXMHK-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825980870 609549637 /nfs/dbraw/zinc/54/96/37/609549637.db2.gz JSUYBXLLNYXMHK-UHFFFAOYSA-N -1 3 379.829 2.046 20 10 GECDHM O=C([C@@H]1CCCCN1Cc1cccc(Br)c1[O-])N1CCOCC1 ZINC000093014605 643074257 /nfs/dbraw/zinc/07/42/57/643074257.db2.gz YUDDVDHMXJILRJ-HNNXBMFYSA-N -1 3 383.286 2.368 20 10 GECDHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCSc2nccs2)ccc1F ZINC000752624388 652390436 /nfs/dbraw/zinc/39/04/36/652390436.db2.gz FKVLQNZFCZFRNW-UHFFFAOYSA-N -1 3 389.499 2.103 20 10 GECDHM COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(Br)c1[O-] ZINC000761013790 652630066 /nfs/dbraw/zinc/63/00/66/652630066.db2.gz YJPXHLGMRFIOEB-DHZHZOJOSA-N -1 3 399.266 2.466 20 10 GECDHM COC(=O)c1cn([C@@H]2CCN(Cc3cc(C)cc(Br)c3[O-])C2)nn1 ZINC000761225703 652637356 /nfs/dbraw/zinc/63/73/56/652637356.db2.gz HEKSTPHGQFEVKG-GFCCVEGCSA-N -1 3 395.257 2.288 20 10 GECDHM [O-]c1ccc(Br)cc1CN1CCN(CCc2cnccn2)CC1 ZINC000877703425 653617261 /nfs/dbraw/zinc/61/72/61/653617261.db2.gz IRPRXXMSDMLADZ-UHFFFAOYSA-N -1 3 377.286 2.305 20 10 GECDHM O=C([C@@H]1CCCCN1Cc1ccc(Br)cc1[O-])N1CCOCC1 ZINC000824702884 653905552 /nfs/dbraw/zinc/90/55/52/653905552.db2.gz UDVZVQGCWDWUGV-HNNXBMFYSA-N -1 3 383.286 2.368 20 10 GECDHM O=S1(=O)C[C@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@H]2C1 ZINC000897618778 653930761 /nfs/dbraw/zinc/93/07/61/653930761.db2.gz WQNMPZIBICSTSV-AOOOYVTPSA-N -1 3 380.691 2.285 20 10 GECDHM O=S(=O)(C1CC1)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825803594 653941399 /nfs/dbraw/zinc/94/13/99/653941399.db2.gz CDYFDDNERUADRH-UHFFFAOYSA-N -1 3 389.315 2.155 20 10 GECDHM CCN(Cc1cn(-c2ccn(C)n2)nn1)Cc1cc(Br)ccc1[O-] ZINC000906274799 654424882 /nfs/dbraw/zinc/42/48/82/654424882.db2.gz ZPHPZJPOINVPLL-UHFFFAOYSA-N -1 3 391.273 2.491 20 10 GECDHM CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000907757744 654575195 /nfs/dbraw/zinc/57/51/95/654575195.db2.gz JUHINNRHLJBBIW-ZDUSSCGKSA-N -1 3 399.285 2.046 20 10 GECDHM