smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CN(CCn2cccn2)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736942281 600226549 /nfs/dbraw/zinc/22/65/49/600226549.db2.gz APMAGLDNNIDBJI-UABRLCRWSA-N -1 1 399.451 2.490 20 10 GECDMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc(C(=O)[O-])c1 ZINC000737659876 600313318 /nfs/dbraw/zinc/31/33/18/600313318.db2.gz KMUAEWGYKALNQY-LBPRGKRZSA-N -1 1 386.404 2.336 20 10 GECDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000055679205 601325357 /nfs/dbraw/zinc/32/53/57/601325357.db2.gz BYSCVURUHNIKIA-UHFFFAOYSA-N -1 1 392.433 2.031 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCCN3C(=O)[O-])cc2F)CC1 ZINC000827227262 602876495 /nfs/dbraw/zinc/87/64/95/602876495.db2.gz CRRSVFZOHJIMMA-MRXNPFEDSA-N -1 1 392.475 2.116 20 10 GECDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823484579 606596847 /nfs/dbraw/zinc/59/68/47/606596847.db2.gz ZAQBDZVSKSUUHN-ZDUSSCGKSA-N -1 1 385.449 2.455 20 10 GECDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823484579 606596848 /nfs/dbraw/zinc/59/68/48/606596848.db2.gz ZAQBDZVSKSUUHN-ZDUSSCGKSA-N -1 1 385.449 2.455 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1Cc1ccon1 ZINC000823504851 606975579 /nfs/dbraw/zinc/97/55/79/606975579.db2.gz VLAGFHRKQIPSJC-BJMVGYQFSA-N -1 1 376.448 2.318 20 10 GECDMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995259 643351555 /nfs/dbraw/zinc/35/15/55/643351555.db2.gz HYGCONGAZAPLOL-UHFFFAOYSA-N -1 1 380.491 2.491 20 10 GECDMM O=C(Cn1nnc(-c2ccc(Br)cc2)n1)c1ccc([O-])c(O)c1 ZINC000120883153 643626140 /nfs/dbraw/zinc/62/61/40/643626140.db2.gz QOLPKSWJIIRQEJ-UHFFFAOYSA-N -1 1 375.182 2.397 20 10 GECDMM CC(=O)N1CCC(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277283568 646398083 /nfs/dbraw/zinc/39/80/83/646398083.db2.gz BCDTUJKBTYWJDR-UHFFFAOYSA-N -1 1 384.274 2.212 20 10 GECDMM CC(C)(C)C(=O)Cn1cc(C(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000277415529 646415974 /nfs/dbraw/zinc/41/59/74/646415974.db2.gz CMIVCCQCAHXPRN-UHFFFAOYSA-N -1 1 395.257 2.291 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000277513263 646434008 /nfs/dbraw/zinc/43/40/08/646434008.db2.gz LBCICDKYZQPFLW-LBPRGKRZSA-N -1 1 393.237 2.413 20 10 GECDMM Cc1cc(O)cc(=O)n1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277607230 646450466 /nfs/dbraw/zinc/45/04/66/646450466.db2.gz UVULPWWMWJWTPG-UHFFFAOYSA-N -1 1 381.226 2.037 20 10 GECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnnn1C1CC1 ZINC000764807427 652813253 /nfs/dbraw/zinc/81/32/53/652813253.db2.gz MQAUDRNMFVVKAX-MRVPVSSYSA-N -1 1 381.234 2.037 20 10 GECDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cccc1S(N)(=O)=O ZINC000765766020 652853297 /nfs/dbraw/zinc/85/32/97/652853297.db2.gz URSASWJXIKFAMG-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000817176603 653705359 /nfs/dbraw/zinc/70/53/59/653705359.db2.gz JKFQMFFVYDARJF-XYPYZODXSA-N -1 1 384.274 2.246 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000822459496 653828936 /nfs/dbraw/zinc/82/89/36/653828936.db2.gz WINLCFXSJFKNCN-DTWKUNHWSA-N -1 1 395.175 2.086 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc(Cl)n1 ZINC000793061301 653864753 /nfs/dbraw/zinc/86/47/53/653864753.db2.gz FXGSXWGATCZIBN-UHFFFAOYSA-N -1 1 384.617 2.458 20 10 GECDMM Cc1nc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c(Br)n1C ZINC000845997276 653878871 /nfs/dbraw/zinc/87/88/71/653878871.db2.gz ZUKGFLJZCFVBMZ-UHFFFAOYSA-N -1 1 394.678 2.329 20 10 GECDMM Cn1cnc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)c1Cl ZINC000796190539 653990737 /nfs/dbraw/zinc/99/07/37/653990737.db2.gz IUMBCVZRNHSKHU-UHFFFAOYSA-N -1 1 380.651 2.020 20 10 GECDMM O=S(=O)(CCOCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000827524094 653996117 /nfs/dbraw/zinc/99/61/17/653996117.db2.gz XRJQAHIRJXHDCB-UHFFFAOYSA-N -1 1 378.288 2.391 20 10 GECDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000849416834 654028136 /nfs/dbraw/zinc/02/81/36/654028136.db2.gz XLUOLCNHPIHOOW-LLVKDONJSA-N -1 1 383.451 2.222 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000797431380 654031538 /nfs/dbraw/zinc/03/15/38/654031538.db2.gz NOZBARZWLZRGKM-UHFFFAOYSA-N -1 1 389.886 2.325 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000797432932 654031932 /nfs/dbraw/zinc/03/19/32/654031932.db2.gz YZPJRUFVYNYFKB-UHFFFAOYSA-N -1 1 387.508 2.085 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Cl)C(=O)[N-]C1=S ZINC000920976740 654231348 /nfs/dbraw/zinc/23/13/48/654231348.db2.gz RKZJHCVIMTWMFV-UXBLZVDNSA-N -1 1 382.829 2.443 20 10 GECDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000176482994 532139275 /nfs/dbraw/zinc/13/92/75/532139275.db2.gz QDBMMBUPXUCAMQ-UHFFFAOYSA-N -1 1 380.491 2.031 20 10 GECDMM CCCc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000829570965 601560478 /nfs/dbraw/zinc/56/04/78/601560478.db2.gz MFKWLBICTRPIDF-PKYBCLHXSA-N -1 1 387.396 2.341 20 10 GECDMM CCCc1n[nH]c([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n1 ZINC000829570965 601560480 /nfs/dbraw/zinc/56/04/80/601560480.db2.gz MFKWLBICTRPIDF-PKYBCLHXSA-N -1 1 387.396 2.341 20 10 GECDMM Cc1cc(C(=O)CN2CCO[C@H](CN(C)C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859534 601595651 /nfs/dbraw/zinc/59/56/51/601595651.db2.gz QNRNASMRARAHHE-LJQANCHMSA-N -1 1 399.491 2.237 20 10 GECDMM CN(C)c1ccc([C@H](CNC(=O)Cc2[nH]nc3ccccc32)NC(=O)[O-])cc1 ZINC000828064032 603034139 /nfs/dbraw/zinc/03/41/39/603034139.db2.gz LDPCSGXGGJSKLY-SFHVURJKSA-N -1 1 381.436 2.297 20 10 GECDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000825254710 604168603 /nfs/dbraw/zinc/16/86/03/604168603.db2.gz OEVTZJMDUQCYAI-NVXWUHKLSA-N -1 1 376.501 2.079 20 10 GECDMM O=C([O-])N1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000831591690 605522478 /nfs/dbraw/zinc/52/24/78/605522478.db2.gz MDGHWPQNUTYRFA-SWLSCSKDSA-N -1 1 381.860 2.126 20 10 GECDMM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1=S=C(c2nn[n-]n2)C=C1 ZINC000823299487 606512417 /nfs/dbraw/zinc/51/24/17/606512417.db2.gz ZITMGGYMQKFENP-UHFFFAOYSA-N -1 1 391.460 2.034 20 10 GECDMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000826280675 608545141 /nfs/dbraw/zinc/54/51/41/608545141.db2.gz LPUSXUNXDMONPR-UHFFFAOYSA-N -1 1 383.431 2.282 20 10 GECDMM O=C(NCc1nnc2n1CCCC2)NCc1cccc(Br)c1[O-] ZINC000277298268 646399059 /nfs/dbraw/zinc/39/90/59/646399059.db2.gz BXQIAHFKVGEUPQ-UHFFFAOYSA-N -1 1 380.246 2.082 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(N2CCCC2)n1 ZINC000277470073 646427105 /nfs/dbraw/zinc/42/71/05/646427105.db2.gz HURMHHHJYMAXNT-UHFFFAOYSA-N -1 1 377.242 2.475 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1N1CCOCC1 ZINC000277503967 646432798 /nfs/dbraw/zinc/43/27/98/646432798.db2.gz KKTLAXQLTRRWCZ-UHFFFAOYSA-N -1 1 392.253 2.316 20 10 GECDMM Cc1nnc2n1C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000277806931 646474102 /nfs/dbraw/zinc/47/41/02/646474102.db2.gz VAVKUTNSWASJCA-LLVKDONJSA-N -1 1 394.273 2.116 20 10 GECDMM Cc1cc(C(=O)NCc2nn[n-]n2)c(C)n1-c1ccc(Br)cc1 ZINC000732158336 651646360 /nfs/dbraw/zinc/64/63/60/651646360.db2.gz ZVLAIRXQYWIGBO-UHFFFAOYSA-N -1 1 375.230 2.300 20 10 GECDMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000753778860 652415031 /nfs/dbraw/zinc/41/50/31/652415031.db2.gz IGXUUNYBHNJMKX-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM Cc1cn2c(ncc(C(=O)NCc3cccc(Br)c3[O-])c2=O)s1 ZINC000765736587 652850384 /nfs/dbraw/zinc/85/03/84/652850384.db2.gz PDVNXEIDRHZOKA-UHFFFAOYSA-N -1 1 394.250 2.463 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cncc(N2CCOCC2)c1 ZINC000765728675 652850454 /nfs/dbraw/zinc/85/04/54/652850454.db2.gz JSAGDQLDBKFFEF-UHFFFAOYSA-N -1 1 392.253 2.316 20 10 GECDMM CN(C)c1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903786 652856997 /nfs/dbraw/zinc/85/69/97/652856997.db2.gz LUIITGWZXGISTE-UHFFFAOYSA-N -1 1 392.253 2.476 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cnc(C2CC2)nc1 ZINC000765904758 652857124 /nfs/dbraw/zinc/85/71/24/652857124.db2.gz USJIPISYMSCEDX-UHFFFAOYSA-N -1 1 391.225 2.077 20 10 GECDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765927558 652857882 /nfs/dbraw/zinc/85/78/82/652857882.db2.gz TVDSJNHOKWRCAQ-UHFFFAOYSA-N -1 1 378.226 2.421 20 10 GECDMM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866913 653622142 /nfs/dbraw/zinc/62/21/42/653622142.db2.gz OUMYCWONXNAMJO-HOCLYGCPSA-N -1 1 375.222 2.416 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000781895152 653651389 /nfs/dbraw/zinc/65/13/89/653651389.db2.gz OOTYCQOAYSGRQW-CYBMUJFWSA-N -1 1 396.329 2.248 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(c3nc(N)ns3)CC2)c1 ZINC000781907824 653651634 /nfs/dbraw/zinc/65/16/34/653651634.db2.gz IRQZEKFNWPAFNH-UHFFFAOYSA-N -1 1 384.303 2.219 20 10 GECDMM COc1ccc(COCC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000861332438 653654948 /nfs/dbraw/zinc/65/49/48/653654948.db2.gz BSIZNQPEDBMGQF-UHFFFAOYSA-N -1 1 381.226 2.391 20 10 GECDMM Cc1c(Br)c(=O)n(CC(=O)c2ccc([O-])c(O)c2)cc1[N+](=O)[O-] ZINC000783924269 653686982 /nfs/dbraw/zinc/68/69/82/653686982.db2.gz HDLHHFMQGZZPGP-UHFFFAOYSA-N -1 1 383.154 2.122 20 10 GECDMM CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000789990825 653783848 /nfs/dbraw/zinc/78/38/48/653783848.db2.gz WXKWMYIWENZWNU-UHFFFAOYSA-N -1 1 398.213 2.027 20 10 GECDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)c(F)c2)sn1 ZINC000866834846 653835665 /nfs/dbraw/zinc/83/56/65/653835665.db2.gz QCIZLGGOGGXACO-UHFFFAOYSA-N -1 1 385.486 2.030 20 10 GECDMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cccc(Cl)c1[O-] ZINC000890757912 654241272 /nfs/dbraw/zinc/24/12/72/654241272.db2.gz NAPBOLHVGHXNHK-YDHLFZDLSA-N -1 1 383.901 2.388 20 10 GECDMM CC[C@@H](CN1CCOCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000925594809 654546387 /nfs/dbraw/zinc/54/63/87/654546387.db2.gz HDRXGHYSPSWXMO-ZDUSSCGKSA-N -1 1 386.290 2.065 20 10 GECDMM O=C([O-])CSCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369653 654723335 /nfs/dbraw/zinc/72/33/35/654723335.db2.gz ZBVWXOWGBOSJHC-AWEZNQCLSA-N -1 1 386.901 2.334 20 10 GECDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cn1 ZINC000273483420 532825349 /nfs/dbraw/zinc/82/53/49/532825349.db2.gz TWKBCLPRZKVAKS-UHFFFAOYSA-N -1 1 385.467 2.043 20 10 GECDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cn1 ZINC000821831798 599311696 /nfs/dbraw/zinc/31/16/96/599311696.db2.gz MVVJOJZPCJUUNE-WDZFZDKYSA-N -1 1 386.418 2.269 20 10 GECDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cn1 ZINC000821831798 599311698 /nfs/dbraw/zinc/31/16/98/599311698.db2.gz MVVJOJZPCJUUNE-WDZFZDKYSA-N -1 1 386.418 2.269 20 10 GECDMM COc1ccnc(N2CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000738143555 600162265 /nfs/dbraw/zinc/16/22/65/600162265.db2.gz QFGNYBFZYGRIJX-HWKANZROSA-N -1 1 384.392 2.423 20 10 GECDMM CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1O ZINC000737394257 600312630 /nfs/dbraw/zinc/31/26/30/600312630.db2.gz VHCOJUORGHCABX-SFHVURJKSA-N -1 1 381.432 2.117 20 10 GECDMM CCCc1nc([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000829570967 601560455 /nfs/dbraw/zinc/56/04/55/601560455.db2.gz MFKWLBICTRPIDF-ZKKXHLJNSA-N -1 1 387.396 2.341 20 10 GECDMM CCCc1n[nH]c([C@@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n1 ZINC000829570967 601560457 /nfs/dbraw/zinc/56/04/57/601560457.db2.gz MFKWLBICTRPIDF-ZKKXHLJNSA-N -1 1 387.396 2.341 20 10 GECDMM Cc1cc(C(=O)COC(=O)CCc2nc[nH]n2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859513 601611542 /nfs/dbraw/zinc/61/15/42/601611542.db2.gz QBJLADOUJSAMMY-UHFFFAOYSA-N -1 1 396.403 2.269 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])cc2F)CC1 ZINC000739454978 602990070 /nfs/dbraw/zinc/99/00/70/602990070.db2.gz CYEPHZJPRGXWLA-DOTOQJQBSA-N -1 1 392.475 2.020 20 10 GECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000823614717 607166224 /nfs/dbraw/zinc/16/62/24/607166224.db2.gz RGAVOLQURYYNHZ-UHFFFAOYSA-N -1 1 389.379 2.340 20 10 GECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000823614717 607166226 /nfs/dbraw/zinc/16/62/26/607166226.db2.gz RGAVOLQURYYNHZ-UHFFFAOYSA-N -1 1 389.379 2.340 20 10 GECDMM CCCC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277417936 646416899 /nfs/dbraw/zinc/41/68/99/646416899.db2.gz CSDORMBFPQQDKY-GFCCVEGCSA-N -1 1 387.299 2.473 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000278939660 646564843 /nfs/dbraw/zinc/56/48/43/646564843.db2.gz UJXXHOVPQZDMBI-OAHLLOKOSA-N -1 1 386.901 2.248 20 10 GECDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(Br)n1C ZINC000286779424 646875829 /nfs/dbraw/zinc/87/58/29/646875829.db2.gz WZEOHHWVUNBDDF-UHFFFAOYSA-N -1 1 387.303 2.036 20 10 GECDMM NC(=O)c1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764762196 652811253 /nfs/dbraw/zinc/81/12/53/652811253.db2.gz OVUJVRMARKXQFO-UHFFFAOYSA-N -1 1 378.226 2.253 20 10 GECDMM COC(=O)c1nc2nc(C)cc(NCc3cccc(Br)c3[O-])n2n1 ZINC000764935511 652815926 /nfs/dbraw/zinc/81/59/26/652815926.db2.gz VVZYHHJJYMOWJG-UHFFFAOYSA-N -1 1 392.213 2.300 20 10 GECDMM COCCc1cc(NC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000765316169 652836267 /nfs/dbraw/zinc/83/62/67/652836267.db2.gz ITMQWCPDQOAWKQ-UHFFFAOYSA-N -1 1 383.246 2.399 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000765538867 652843148 /nfs/dbraw/zinc/84/31/48/652843148.db2.gz XRAIMSMISGTQRJ-BLLLJJGKSA-N -1 1 385.258 2.292 20 10 GECDMM O=C(CN1C(=O)c2ccccc2C1=O)NCc1cccc(Br)c1[O-] ZINC000765745846 652851848 /nfs/dbraw/zinc/85/18/48/652851848.db2.gz ACTKRXBPLHUVQN-UHFFFAOYSA-N -1 1 389.205 2.067 20 10 GECDMM CNC(=O)c1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765755116 652852737 /nfs/dbraw/zinc/85/27/37/652852737.db2.gz FMSRBMHQHHGRGG-UHFFFAOYSA-N -1 1 393.237 2.210 20 10 GECDMM Cc1nc(C)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765925748 652857606 /nfs/dbraw/zinc/85/76/06/652857606.db2.gz KFYLHQQWIWMDNI-UHFFFAOYSA-N -1 1 384.255 2.483 20 10 GECDMM O=c1[nH]c2ccc(S(=O)(=O)NCc3cccc(Br)c3[O-])cc2[nH]1 ZINC000766201908 652871879 /nfs/dbraw/zinc/87/18/79/652871879.db2.gz XGNZFVISBUGAHF-UHFFFAOYSA-N -1 1 398.238 2.215 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000836692953 653370320 /nfs/dbraw/zinc/37/03/20/653370320.db2.gz YFIFHLCBBWXCOJ-WCQYABFASA-N -1 1 382.258 2.107 20 10 GECDMM CCCN1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000817173200 653705322 /nfs/dbraw/zinc/70/53/22/653705322.db2.gz NZYPAMPDFFAPEZ-LLVKDONJSA-N -1 1 384.274 2.212 20 10 GECDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnc1Br ZINC000786733775 653727453 /nfs/dbraw/zinc/72/74/53/653727453.db2.gz BWKHKCWTWJEVHV-UHFFFAOYSA-N -1 1 382.166 2.304 20 10 GECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000792702171 653850147 /nfs/dbraw/zinc/85/01/47/653850147.db2.gz OYLXUHCICLQUOY-UHFFFAOYSA-N -1 1 379.463 2.105 20 10 GECDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccc(Br)cn2)CC1 ZINC000825450039 653929971 /nfs/dbraw/zinc/92/99/71/653929971.db2.gz NAXJQLDKLJZYOB-UHFFFAOYSA-N -1 1 396.216 2.357 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cncc(N2CCCC2)n1 ZINC000867831385 653994780 /nfs/dbraw/zinc/99/47/80/653994780.db2.gz XTYXQZQOWROCFQ-UHFFFAOYSA-N -1 1 377.242 2.475 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000797431831 654031479 /nfs/dbraw/zinc/03/14/79/654031479.db2.gz ZOKLAOLKXYVDII-UHFFFAOYSA-N -1 1 375.859 2.017 20 10 GECDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)n1cc(Br)cn1 ZINC000830663719 654133594 /nfs/dbraw/zinc/13/35/94/654133594.db2.gz AZCUHJXESJTOCV-SECBINFHSA-N -1 1 383.198 2.434 20 10 GECDMM NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894017960 654439339 /nfs/dbraw/zinc/43/93/39/654439339.db2.gz USOHRUOTQNIEJJ-VIFPVBQESA-N -1 1 397.722 2.309 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnc2n1CCCC2 ZINC000907154471 654515691 /nfs/dbraw/zinc/51/56/91/654515691.db2.gz ANIBDHUKOKMWLH-UHFFFAOYSA-N -1 1 386.271 2.166 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cn(C2CCOCC2)nn1 ZINC000290440902 532880893 /nfs/dbraw/zinc/88/08/93/532880893.db2.gz NUFYBVHALPJPIS-UHFFFAOYSA-N -1 1 381.230 2.028 20 10 GECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276818588 532901771 /nfs/dbraw/zinc/90/17/71/532901771.db2.gz GHSUEGUCZZKUPK-UHFFFAOYSA-N -1 1 384.479 2.006 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000817723508 597044551 /nfs/dbraw/zinc/04/45/51/597044551.db2.gz KZKTVWZLIGFREY-INIZCTEOSA-N -1 1 390.480 2.114 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000736185939 600608295 /nfs/dbraw/zinc/60/82/95/600608295.db2.gz SFUOOLCXUQDLES-UHFFFAOYSA-N -1 1 378.469 2.112 20 10 GECDMM COc1ccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cc1F ZINC000821831899 606634145 /nfs/dbraw/zinc/63/41/45/606634145.db2.gz RNUSFTHHTFSUHK-UHFFFAOYSA-N -1 1 395.851 2.451 20 10 GECDMM COc1ccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cc1F ZINC000821831899 606634146 /nfs/dbraw/zinc/63/41/46/606634146.db2.gz RNUSFTHHTFSUHK-UHFFFAOYSA-N -1 1 395.851 2.451 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COCCN1C1CCCC1 ZINC000282044504 646812897 /nfs/dbraw/zinc/81/28/97/646812897.db2.gz YSJHFDYDUIMQEF-OAHLLOKOSA-N -1 1 383.286 2.414 20 10 GECDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)o1 ZINC000748060616 652189506 /nfs/dbraw/zinc/18/95/06/652189506.db2.gz LBTIXVPCZJYFFL-UHFFFAOYSA-N -1 1 376.481 2.374 20 10 GECDMM NC(=O)COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765233199 652832952 /nfs/dbraw/zinc/83/29/52/652832952.db2.gz HCDSYNAYBMLSIQ-UHFFFAOYSA-N -1 1 394.225 2.341 20 10 GECDMM Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729610 652850581 /nfs/dbraw/zinc/85/05/81/652850581.db2.gz QCNLGWSBGNFLRK-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccnc1Cl ZINC000765904828 652857082 /nfs/dbraw/zinc/85/70/82/652857082.db2.gz XSQMCKYKLVXLDI-UHFFFAOYSA-N -1 1 384.617 2.458 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc2nonc21 ZINC000766199742 652871359 /nfs/dbraw/zinc/87/13/59/652871359.db2.gz GSZBPIVNNXPRPV-UHFFFAOYSA-N -1 1 384.211 2.169 20 10 GECDMM Cc1noc2ncc(S(=O)(=O)NCc3cccc(Br)c3[O-])cc12 ZINC000766208364 652871867 /nfs/dbraw/zinc/87/18/67/652871867.db2.gz ZEQCILACKCIWHB-UHFFFAOYSA-N -1 1 398.238 2.478 20 10 GECDMM O=S(=O)(NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)C1CC1 ZINC000809785570 653295630 /nfs/dbraw/zinc/29/56/30/653295630.db2.gz YNFFTRCMAZWGOA-LLVKDONJSA-N -1 1 376.881 2.479 20 10 GECDMM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)c(N3CCOCC3)c(F)c2)sn1 ZINC000867382213 653925639 /nfs/dbraw/zinc/92/56/39/653925639.db2.gz MILAZQIIXVENDV-UHFFFAOYSA-N -1 1 389.449 2.045 20 10 GECDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O ZINC000872479973 654350791 /nfs/dbraw/zinc/35/07/91/654350791.db2.gz RXRSQFSICZMDOC-FQEVSTJZSA-N -1 1 399.332 2.385 20 10 GECDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C2)cc1 ZINC000872503015 654358530 /nfs/dbraw/zinc/35/85/30/654358530.db2.gz DECDRECXXDRNKR-RZFZLAGVSA-N -1 1 389.543 2.005 20 10 GECDMM COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894581992 654488480 /nfs/dbraw/zinc/48/84/80/654488480.db2.gz QQWSNCYRMWKOTF-RISCZKNCSA-N -1 1 392.265 2.140 20 10 GECDMM CO[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCSC1 ZINC000925369251 654542939 /nfs/dbraw/zinc/54/29/39/654542939.db2.gz GPVOVCWZDDREEF-CQSZACIVSA-N -1 1 375.288 2.476 20 10 GECDMM O=C(CN1CSCCSC1)NCc1cccc(Br)c1[O-] ZINC000907758112 654575234 /nfs/dbraw/zinc/57/52/34/654575234.db2.gz NBFHUEJVHKBDIG-UHFFFAOYSA-N -1 1 377.329 2.468 20 10 GECDMM Cn1cc(CN2CCCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000739034277 600215296 /nfs/dbraw/zinc/21/52/96/600215296.db2.gz PIBIRNCOBPAFCP-GQCTYLIASA-N -1 1 385.424 2.138 20 10 GECDMM CCN(CC1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1)C(=O)[O-] ZINC000827092432 603540104 /nfs/dbraw/zinc/54/01/04/603540104.db2.gz DCAHFGRALRLQDD-UHFFFAOYSA-N -1 1 376.501 2.081 20 10 GECDMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)n1-c1ccccn1 ZINC000822182887 606649765 /nfs/dbraw/zinc/64/97/65/606649765.db2.gz CEPGTZKKJQNRKS-UHFFFAOYSA-N -1 1 375.392 2.421 20 10 GECDMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000822182887 606649766 /nfs/dbraw/zinc/64/97/66/606649766.db2.gz CEPGTZKKJQNRKS-UHFFFAOYSA-N -1 1 375.392 2.421 20 10 GECDMM C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(Br)c1[O-])CS2 ZINC000277564130 646442563 /nfs/dbraw/zinc/44/25/63/646442563.db2.gz PRPTXGSIQRNVGT-NHYWBVRUSA-N -1 1 385.283 2.225 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1[O-] ZINC000287967373 646903879 /nfs/dbraw/zinc/90/38/79/646903879.db2.gz ZBXHYSBJKCKWSH-PUAOIOHZSA-N -1 1 381.885 2.287 20 10 GECDMM CC(C)(C)N1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765537687 652843175 /nfs/dbraw/zinc/84/31/75/652843175.db2.gz MMOZNJFUEUQTDD-LLVKDONJSA-N -1 1 384.274 2.353 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cnn(CC2CC2)c1 ZINC000765925808 652857575 /nfs/dbraw/zinc/85/75/75/652857575.db2.gz KRQZSQUPMUJRQZ-UHFFFAOYSA-N -1 1 393.241 2.016 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000859046222 653397038 /nfs/dbraw/zinc/39/70/38/653397038.db2.gz ZFGDYQOXYSNKGW-ZDUSSCGKSA-N -1 1 382.258 2.107 20 10 GECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000778559635 653448535 /nfs/dbraw/zinc/44/85/35/653448535.db2.gz BGBZHNOUZCAJPD-UHFFFAOYSA-N -1 1 384.479 2.395 20 10 GECDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)c1 ZINC000840917990 653701054 /nfs/dbraw/zinc/70/10/54/653701054.db2.gz NMGJEHKVJKKRJL-UHFFFAOYSA-N -1 1 385.463 2.133 20 10 GECDMM CCOC(=O)CS[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(F)(F)F ZINC000881442918 653731474 /nfs/dbraw/zinc/73/14/74/653731474.db2.gz AALZMIOGXOLFTR-SECBINFHSA-N -1 1 385.335 2.194 20 10 GECDMM CCOC(=O)c1cnc(NC(=O)NCc2cccc(Br)c2[O-])n1C ZINC000841708452 653739549 /nfs/dbraw/zinc/73/95/49/653739549.db2.gz NIBHYIBFUWCWIV-UHFFFAOYSA-N -1 1 397.229 2.387 20 10 GECDMM O=C(CN1CCc2ccccc2C1=O)NCc1cccc(Br)c1[O-] ZINC000790065064 653786476 /nfs/dbraw/zinc/78/64/76/653786476.db2.gz GWBPDZVUBFHMJU-UHFFFAOYSA-N -1 1 389.249 2.469 20 10 GECDMM Cn1ncc(S(=O)(=O)[N-]CCCSc2nccs2)c1C(F)(F)F ZINC000866782260 653825086 /nfs/dbraw/zinc/82/50/86/653825086.db2.gz RUUNDVXSWKXSMK-UHFFFAOYSA-N -1 1 386.446 2.356 20 10 GECDMM COc1c([O-])c(CN2CCn3ncc(Br)c3C2)ccc1[N+](=O)[O-] ZINC000827452389 653992695 /nfs/dbraw/zinc/99/26/95/653992695.db2.gz YZRBCQOMBOFEFL-UHFFFAOYSA-N -1 1 383.202 2.284 20 10 GECDMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)ccc1O ZINC000799537796 654100077 /nfs/dbraw/zinc/10/00/77/654100077.db2.gz QQUITYVSUOAHSO-UHFFFAOYSA-N -1 1 385.239 2.363 20 10 GECDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)noc2C)c(F)c1 ZINC000830150753 654101950 /nfs/dbraw/zinc/10/19/50/654101950.db2.gz NDCAPLRDSDCXMV-UHFFFAOYSA-N -1 1 391.446 2.383 20 10 GECDMM COC(=O)c1oc(S(=O)(=O)[N-]CCCSc2nccs2)cc1C ZINC000851763388 654175104 /nfs/dbraw/zinc/17/51/04/654175104.db2.gz RUYRYVNBZSGPKY-UHFFFAOYSA-N -1 1 376.481 2.292 20 10 GECDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C2)cc1 ZINC000872503013 654358440 /nfs/dbraw/zinc/35/84/40/654358440.db2.gz DECDRECXXDRNKR-RKNYENMMSA-N -1 1 389.543 2.005 20 10 GECDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000894859016 654502695 /nfs/dbraw/zinc/50/26/95/654502695.db2.gz BOJHRWPFOSLRSK-CYBMUJFWSA-N -1 1 385.237 2.215 20 10 GECDMM C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054855 532339723 /nfs/dbraw/zinc/33/97/23/532339723.db2.gz BVRCPNVIBQWXEX-IINYFYTJSA-N -1 1 379.258 2.344 20 10 GECDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000276810447 532901236 /nfs/dbraw/zinc/90/12/36/532901236.db2.gz FTFDEPBJOXNJKC-UHFFFAOYSA-N -1 1 384.479 2.006 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000817723509 597044362 /nfs/dbraw/zinc/04/43/62/597044362.db2.gz KZKTVWZLIGFREY-MRXNPFEDSA-N -1 1 390.480 2.114 20 10 GECDMM C[C@H]1CN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736289730 598344953 /nfs/dbraw/zinc/34/49/53/598344953.db2.gz MRKVLIABNZLBPL-RYUDHWBXSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@H]1CN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736289730 598344955 /nfs/dbraw/zinc/34/49/55/598344955.db2.gz MRKVLIABNZLBPL-RYUDHWBXSA-N -1 1 384.419 2.022 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)CC3(NC(=O)[O-])CCC3)cc2F)CC1 ZINC000827228847 604156345 /nfs/dbraw/zinc/15/63/45/604156345.db2.gz RFXHVXCKRJWZFG-UHFFFAOYSA-N -1 1 392.475 2.164 20 10 GECDMM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826705269 604745660 /nfs/dbraw/zinc/74/56/60/604745660.db2.gz MIJXNIKLBBSGLU-GDBMZVCRSA-N -1 1 383.876 2.418 20 10 GECDMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834024185 605593364 /nfs/dbraw/zinc/59/33/64/605593364.db2.gz BCUPYQNUWXNPBL-XJKSGUPXSA-N -1 1 379.432 2.002 20 10 GECDMM CC(C)c1noc(-c2ccc(NC(=O)C3=S=CC(c4nn[n-]n4)=C3)cc2)n1 ZINC000820211672 606502002 /nfs/dbraw/zinc/50/20/02/606502002.db2.gz UPFAATRDCSXPHL-UHFFFAOYSA-N -1 1 381.421 2.117 20 10 GECDMM CC(=O)N1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000280494633 646687575 /nfs/dbraw/zinc/68/75/75/646687575.db2.gz FQKOYHPWRUVMKX-LBPRGKRZSA-N -1 1 384.274 2.212 20 10 GECDMM O=C(NCc1ccc(O)c(O)c1)c1ccc(I)c([O-])c1 ZINC000760919658 652627899 /nfs/dbraw/zinc/62/78/99/652627899.db2.gz VNOREZJIVGYFKE-UHFFFAOYSA-N -1 1 385.157 2.338 20 10 GECDMM O=C(NCCCNC(=O)C1CCC1)NCc1cccc(Br)c1[O-] ZINC000764792055 652812561 /nfs/dbraw/zinc/81/25/61/652812561.db2.gz SPDFJGPAGLODQC-UHFFFAOYSA-N -1 1 384.274 2.260 20 10 GECDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1S(N)(=O)=O ZINC000765732703 652850441 /nfs/dbraw/zinc/85/04/41/652850441.db2.gz RPNMTSOGDRIVEN-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM NC(=O)c1cccc(OCCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735076 652850474 /nfs/dbraw/zinc/85/04/74/652850474.db2.gz DLHLXUHBLXSUOD-UHFFFAOYSA-N -1 1 393.237 2.339 20 10 GECDMM COc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765927352 652858028 /nfs/dbraw/zinc/85/80/28/652858028.db2.gz QMQGMUYPSRXYCR-UHFFFAOYSA-N -1 1 379.210 2.418 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cn2c(n1)CCCC2 ZINC000766199489 652871413 /nfs/dbraw/zinc/87/14/13/652871413.db2.gz DDFZCUWJSGZARF-UHFFFAOYSA-N -1 1 386.271 2.166 20 10 GECDMM CCOc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000766199762 652871526 /nfs/dbraw/zinc/87/15/26/652871526.db2.gz HUPRYNYDXRHRFR-UHFFFAOYSA-N -1 1 387.255 2.427 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000769637922 653167531 /nfs/dbraw/zinc/16/75/31/653167531.db2.gz KSOUSOWYKMFWJF-UHFFFAOYSA-N -1 1 384.797 2.398 20 10 GECDMM O=S(=O)(CCOCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000809838807 653307445 /nfs/dbraw/zinc/30/74/45/653307445.db2.gz HHETUCQBMRHDGT-UHFFFAOYSA-N -1 1 392.193 2.153 20 10 GECDMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776748730 653375648 /nfs/dbraw/zinc/37/56/48/653375648.db2.gz DLKFAQDLFVJPLP-UHFFFAOYSA-N -1 1 390.870 2.097 20 10 GECDMM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877866912 653622224 /nfs/dbraw/zinc/62/22/24/653622224.db2.gz OUMYCWONXNAMJO-GOEBONIOSA-N -1 1 375.222 2.416 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000814295717 653627075 /nfs/dbraw/zinc/62/70/75/653627075.db2.gz CXLSLGRXOWVADX-UXBLZVDNSA-N -1 1 382.829 2.443 20 10 GECDMM COC(=O)c1ccn(CCCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000879774821 653681671 /nfs/dbraw/zinc/68/16/71/653681671.db2.gz MKYSOKINADDXKO-UHFFFAOYSA-N -1 1 396.241 2.234 20 10 GECDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1F ZINC000866582804 653804085 /nfs/dbraw/zinc/80/40/85/653804085.db2.gz MRHLFHNMMUBLPB-UHFFFAOYSA-N -1 1 385.848 2.189 20 10 GECDMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000844936750 653830006 /nfs/dbraw/zinc/83/00/06/653830006.db2.gz WSZXVVZLTDLAKB-GFCCVEGCSA-N -1 1 397.269 2.052 20 10 GECDMM COCC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000845920150 653870343 /nfs/dbraw/zinc/87/03/43/653870343.db2.gz BLFBIFOISCSGBS-UHFFFAOYSA-N -1 1 378.288 2.391 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000920977114 654231211 /nfs/dbraw/zinc/23/12/11/654231211.db2.gz YGVOBAQNUDQULU-UXBLZVDNSA-N -1 1 382.829 2.443 20 10 GECDMM CCOC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000935663005 654909783 /nfs/dbraw/zinc/90/97/83/654909783.db2.gz NDSOLPIXVHFKPF-NSHDSACASA-N -1 1 389.271 2.302 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000736185644 599931943 /nfs/dbraw/zinc/93/19/43/599931943.db2.gz OVQOZZJVSDEKJM-CQSZACIVSA-N -1 1 390.480 2.112 20 10 GECDMM Cn1cc(CN2CCCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000739034283 600215228 /nfs/dbraw/zinc/21/52/28/600215228.db2.gz PIBIRNCOBPAFCP-XQRVVYSFSA-N -1 1 385.424 2.138 20 10 GECDMM COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c2C)cc1 ZINC000821769228 606532284 /nfs/dbraw/zinc/53/22/84/606532284.db2.gz FQCXNJBEGDSXCB-UHFFFAOYSA-N -1 1 378.396 2.258 20 10 GECDMM COc1ccc(-n2c(C)cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c2C)cc1 ZINC000821769228 606532285 /nfs/dbraw/zinc/53/22/85/606532285.db2.gz FQCXNJBEGDSXCB-UHFFFAOYSA-N -1 1 378.396 2.258 20 10 GECDMM O=C(CNC(=O)OCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000277528600 646436738 /nfs/dbraw/zinc/43/67/38/646436738.db2.gz MJWFJLYEPRNSLQ-UHFFFAOYSA-N -1 1 385.136 2.059 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000277578161 646445346 /nfs/dbraw/zinc/44/53/46/646445346.db2.gz RHVWWUOSIVYOAO-WCBMZHEXSA-N -1 1 395.175 2.228 20 10 GECDMM Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])c(=O)n1C ZINC000279064199 646575168 /nfs/dbraw/zinc/57/51/68/646575168.db2.gz QJIHOMJEYPEGLB-UHFFFAOYSA-N -1 1 380.242 2.161 20 10 GECDMM CC(C)[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nncn1C ZINC000286891628 646878439 /nfs/dbraw/zinc/87/84/39/646878439.db2.gz LFRNSOQNJXVKGU-LBPRGKRZSA-N -1 1 382.262 2.480 20 10 GECDMM Cc1cc(C(=O)NCc2nn[n-]n2)c(C)n1-c1cccc(Br)c1 ZINC000731887028 651637033 /nfs/dbraw/zinc/63/70/33/651637033.db2.gz GPZNWAAIXWVAER-UHFFFAOYSA-N -1 1 375.230 2.300 20 10 GECDMM C[S@@](=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000762121676 652674433 /nfs/dbraw/zinc/67/44/33/652674433.db2.gz OWOAQBLGRXIZDL-XMMPIXPASA-N -1 1 399.475 2.183 20 10 GECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H](C)N1CCOCC1 ZINC000764783751 652812675 /nfs/dbraw/zinc/81/26/75/652812675.db2.gz MBFBEZYJFYRFOL-NEPJUHHUSA-N -1 1 386.290 2.063 20 10 GECDMM CN(C)c1nccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764806084 652812738 /nfs/dbraw/zinc/81/27/38/652812738.db2.gz NSSHUZILWPSUAK-UHFFFAOYSA-N -1 1 380.246 2.010 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(=O)[nH]cnc2cn1 ZINC000765728526 652850655 /nfs/dbraw/zinc/85/06/55/652850655.db2.gz VDTKKGNWLXXFCA-UHFFFAOYSA-N -1 1 375.182 2.129 20 10 GECDMM NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000766893105 652902397 /nfs/dbraw/zinc/90/23/97/652902397.db2.gz YTUCHJJGECSCGQ-UHFFFAOYSA-N -1 1 397.261 2.147 20 10 GECDMM Cn1ncc(CNCc2cc(Br)cc(Br)c2[O-])n1 ZINC000809720386 653292026 /nfs/dbraw/zinc/29/20/26/653292026.db2.gz FCVVNOCVFZJOQI-UHFFFAOYSA-N -1 1 376.052 2.336 20 10 GECDMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c(Cl)c1 ZINC000776433412 653348603 /nfs/dbraw/zinc/34/86/03/653348603.db2.gz UEFHRLJIGSSNIO-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000781894669 653651485 /nfs/dbraw/zinc/65/14/85/653651485.db2.gz KXPOFVZQHXDVLL-UHFFFAOYSA-N -1 1 396.329 2.203 20 10 GECDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1sccc1S(=O)(=O)C(F)F ZINC000783577823 653680879 /nfs/dbraw/zinc/68/08/79/653680879.db2.gz TVVRUDHOYZEWGK-UHFFFAOYSA-N -1 1 392.357 2.195 20 10 GECDMM CCn1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1=O ZINC000789295810 653771467 /nfs/dbraw/zinc/77/14/67/653771467.db2.gz YRQQXHDZDUFGBI-UHFFFAOYSA-N -1 1 380.242 2.336 20 10 GECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000792702976 653850171 /nfs/dbraw/zinc/85/01/71/653850171.db2.gz LUIAICPWLRWJLE-UHFFFAOYSA-N -1 1 391.467 2.458 20 10 GECDMM O=S(=O)(CCC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000827523843 653995949 /nfs/dbraw/zinc/99/59/49/653995949.db2.gz SVJMFLBOAKUVBG-LLVKDONJSA-N -1 1 378.288 2.391 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)N1CCc2cc(F)ccc21 ZINC000802575463 654232632 /nfs/dbraw/zinc/23/26/32/654232632.db2.gz QCFLASWZXCQZQQ-UHFFFAOYSA-N -1 1 393.212 2.499 20 10 GECDMM CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893866503 654428000 /nfs/dbraw/zinc/42/80/00/654428000.db2.gz OUDXCVLLTRXFRL-SNVBAGLBSA-N -1 1 395.294 2.055 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])NCC1(C2(O)CCOCC2)CC1 ZINC000925661735 654547480 /nfs/dbraw/zinc/54/74/80/654547480.db2.gz DJUQBSCBXAKGBI-UHFFFAOYSA-N -1 1 399.285 2.276 20 10 GECDMM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1OC ZINC000821828350 607364641 /nfs/dbraw/zinc/36/46/41/607364641.db2.gz TXGTXZJPPBZUSY-UHFFFAOYSA-N -1 1 386.412 2.169 20 10 GECDMM N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(C(=O)[O-])ccc2O)N1)OCCCO4 ZINC000739192633 599942850 /nfs/dbraw/zinc/94/28/50/599942850.db2.gz MZZLOHIRMIAYFV-INIZCTEOSA-N -1 1 395.375 2.098 20 10 GECDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000832867769 600984352 /nfs/dbraw/zinc/98/43/52/600984352.db2.gz DYZKAMAFUJUKQB-UHFFFAOYSA-N -1 1 378.435 2.351 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)CC(C)(C)NC(=O)[O-])cc2F)CC1 ZINC000739458881 602989975 /nfs/dbraw/zinc/98/99/75/602989975.db2.gz YBIDUHKOOXPWFM-UHFFFAOYSA-N -1 1 380.464 2.020 20 10 GECDMM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826369763 608410595 /nfs/dbraw/zinc/41/05/95/608410595.db2.gz PPFZZTDZDSZJDW-UHFFFAOYSA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826369763 608410596 /nfs/dbraw/zinc/41/05/96/608410596.db2.gz PPFZZTDZDSZJDW-UHFFFAOYSA-N -1 1 388.382 2.339 20 10 GECDMM O=C(NCCc1cn2c(n1)SCC2)NCc1cccc(Br)c1[O-] ZINC000277374478 646409599 /nfs/dbraw/zinc/40/95/99/646409599.db2.gz HWLDRMYJDHBXJC-UHFFFAOYSA-N -1 1 397.298 2.499 20 10 GECDMM Cc1nnc2n1C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000277806936 646474088 /nfs/dbraw/zinc/47/40/88/646474088.db2.gz VAVKUTNSWASJCA-NSHDSACASA-N -1 1 394.273 2.116 20 10 GECDMM Cc1cc(C(=O)NCc2nn[n-]n2)c(C)n1-c1ccccc1Br ZINC000732158250 651646275 /nfs/dbraw/zinc/64/62/75/651646275.db2.gz WDCSUQNMXOOPPW-UHFFFAOYSA-N -1 1 375.230 2.300 20 10 GECDMM Cc1ccc2ncc(C(=O)NCc3cccc(Br)c3[O-])c(=O)n2c1 ZINC000765735057 652850434 /nfs/dbraw/zinc/85/04/34/652850434.db2.gz DCMNGCBWQMKPKP-UHFFFAOYSA-N -1 1 388.221 2.401 20 10 GECDMM O=C(Cn1cc(Br)cn1)NCc1cccc(Br)c1[O-] ZINC000765748571 652851996 /nfs/dbraw/zinc/85/19/96/652851996.db2.gz WULMFLPQHPJLSY-UHFFFAOYSA-N -1 1 389.047 2.430 20 10 GECDMM COc1ccccc1C(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765751639 652852439 /nfs/dbraw/zinc/85/24/39/652852439.db2.gz ITGMVFFGTQQNAX-UHFFFAOYSA-N -1 1 393.237 2.210 20 10 GECDMM O=C(CNC(=O)c1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765757694 652852802 /nfs/dbraw/zinc/85/28/02/652852802.db2.gz TUQGTNDWPLVZPR-UHFFFAOYSA-N -1 1 381.201 2.340 20 10 GECDMM CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903298 652857197 /nfs/dbraw/zinc/85/71/97/652857197.db2.gz IVYNANDLWJHVOS-UHFFFAOYSA-N -1 1 382.214 2.268 20 10 GECDMM CC(C)n1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765925512 652857562 /nfs/dbraw/zinc/85/75/62/652857562.db2.gz HEFJNMMIAGYEEK-UHFFFAOYSA-N -1 1 381.230 2.187 20 10 GECDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(Br)c2O)c1 ZINC000766199598 652871450 /nfs/dbraw/zinc/87/14/50/652871450.db2.gz GFHYQDBWXBMTRT-UHFFFAOYSA-N -1 1 390.211 2.013 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnn(CC2CC2)c1 ZINC000766199750 652871534 /nfs/dbraw/zinc/87/15/34/652871534.db2.gz HJVLTTZDFDCTQZ-UHFFFAOYSA-N -1 1 386.271 2.240 20 10 GECDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000807838233 653206638 /nfs/dbraw/zinc/20/66/38/653206638.db2.gz LOBJDCDBHIIQTP-UHFFFAOYSA-N -1 1 381.175 2.378 20 10 GECDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc1Br ZINC000784627613 653697646 /nfs/dbraw/zinc/69/76/46/653697646.db2.gz IJFFPMKEHCEKGE-UHFFFAOYSA-N -1 1 382.166 2.304 20 10 GECDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])nn1C(C)C ZINC000817387339 653709757 /nfs/dbraw/zinc/70/97/57/653709757.db2.gz NAMHFEMGXQPDEM-UHFFFAOYSA-N -1 1 395.257 2.495 20 10 GECDMM O=C(CNC(=O)c1c([O-])c(O)ccc1F)Nc1ccc(Br)cc1 ZINC000789958648 653783609 /nfs/dbraw/zinc/78/36/09/653783609.db2.gz GXUBUNIFBNMVKW-UHFFFAOYSA-N -1 1 383.173 2.368 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000797432433 654031531 /nfs/dbraw/zinc/03/15/31/654031531.db2.gz DNOAPSHUVPAZSM-UHFFFAOYSA-N -1 1 375.497 2.042 20 10 GECDMM CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916611198 654101784 /nfs/dbraw/zinc/10/17/84/654101784.db2.gz GMZCFDRSXRHSFW-UHFFFAOYSA-N -1 1 384.793 2.194 20 10 GECDMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cccc(Cl)c1[O-] ZINC000890757911 654241248 /nfs/dbraw/zinc/24/12/48/654241248.db2.gz NAPBOLHVGHXNHK-VNHYZAJKSA-N -1 1 383.901 2.388 20 10 GECDMM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000935662557 654909299 /nfs/dbraw/zinc/90/92/99/654909299.db2.gz HDTFZNJFICYTRV-CQSZACIVSA-N -1 1 393.241 2.006 20 10 GECDMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000833345313 601837107 /nfs/dbraw/zinc/83/71/07/601837107.db2.gz UPZNYSYJMNIVIC-UHFFFAOYSA-N -1 1 397.840 2.071 20 10 GECDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000825879160 607580121 /nfs/dbraw/zinc/58/01/21/607580121.db2.gz IMLFWJQMCKQGRR-UHFFFAOYSA-N -1 1 392.872 2.065 20 10 GECDMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000833771179 604763278 /nfs/dbraw/zinc/76/32/78/604763278.db2.gz XLMDSCSHDYGIRR-SFHVURJKSA-N -1 1 377.441 2.243 20 10 GECDMM O=C([O-])N1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000831591688 605522708 /nfs/dbraw/zinc/52/27/08/605522708.db2.gz MDGHWPQNUTYRFA-IUODEOHRSA-N -1 1 381.860 2.126 20 10 GECDMM COc1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1F ZINC000821832112 606633987 /nfs/dbraw/zinc/63/39/87/606633987.db2.gz ZZZUBHOFPXUELQ-UHFFFAOYSA-N -1 1 389.822 2.389 20 10 GECDMM COc1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1F ZINC000821832112 606633988 /nfs/dbraw/zinc/63/39/88/606633988.db2.gz ZZZUBHOFPXUELQ-UHFFFAOYSA-N -1 1 389.822 2.389 20 10 GECDMM O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823357689 606644118 /nfs/dbraw/zinc/64/41/18/606644118.db2.gz YJBIJZFMJRALDC-UHFFFAOYSA-N -1 1 396.366 2.289 20 10 GECDMM O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823357689 606644119 /nfs/dbraw/zinc/64/41/19/606644119.db2.gz YJBIJZFMJRALDC-UHFFFAOYSA-N -1 1 396.366 2.289 20 10 GECDMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000120436646 643607303 /nfs/dbraw/zinc/60/73/03/643607303.db2.gz QIRWRBYWBBFDKZ-UHFFFAOYSA-N -1 1 386.220 2.476 20 10 GECDMM Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277445554 646421509 /nfs/dbraw/zinc/42/15/09/646421509.db2.gz FQLOEXBRKFGBKY-UHFFFAOYSA-N -1 1 394.678 2.329 20 10 GECDMM CCc1n[nH]c(=O)c(C(=O)NCc2cccc(Br)c2[O-])c1CC ZINC000277451620 646422958 /nfs/dbraw/zinc/42/29/58/646422958.db2.gz GFGKVZLBUADLOQ-UHFFFAOYSA-N -1 1 380.242 2.293 20 10 GECDMM CCc1onc(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277538820 646438857 /nfs/dbraw/zinc/43/88/57/646438857.db2.gz POBJCAQGMYAIQW-UHFFFAOYSA-N -1 1 382.214 2.268 20 10 GECDMM CCNC(=O)NC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000277619351 646452018 /nfs/dbraw/zinc/45/20/18/646452018.db2.gz WBYCXZDUENELES-UHFFFAOYSA-N -1 1 384.274 2.403 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000277656605 646459345 /nfs/dbraw/zinc/45/93/45/646459345.db2.gz ZMJBCIZWTYKDBP-CYBMUJFWSA-N -1 1 381.270 2.420 20 10 GECDMM O=S(=O)([N-]c1cccc(F)c1-c1nc[nH]n1)c1cccc2nsnc21 ZINC000573668678 651972610 /nfs/dbraw/zinc/97/26/10/651972610.db2.gz ZHPQHNARSKEULP-UHFFFAOYSA-N -1 1 376.398 2.416 20 10 GECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H](C)N1CCOCC1 ZINC000764783758 652812753 /nfs/dbraw/zinc/81/27/53/652812753.db2.gz MBFBEZYJFYRFOL-VXGBXAGGSA-N -1 1 386.290 2.063 20 10 GECDMM O=C(CNC(=O)c1cc(F)cc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765732903 652850515 /nfs/dbraw/zinc/85/05/15/652850515.db2.gz UNHXFQYIMVOQMV-UHFFFAOYSA-N -1 1 399.191 2.479 20 10 GECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1S(N)(=O)=O ZINC000765736637 652850536 /nfs/dbraw/zinc/85/05/36/652850536.db2.gz QAEUYADKQLHCBW-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM O=C(CCNC(=O)OCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000765747450 652851898 /nfs/dbraw/zinc/85/18/98/652851898.db2.gz NMBUAHMRLREZJC-UHFFFAOYSA-N -1 1 399.163 2.450 20 10 GECDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])[nH]c(C)c1C(N)=O ZINC000765755139 652852789 /nfs/dbraw/zinc/85/27/89/652852789.db2.gz GNPQPDZTCMVQET-UHFFFAOYSA-N -1 1 380.242 2.383 20 10 GECDMM Nc1ncc(Cl)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766202272 652871916 /nfs/dbraw/zinc/87/19/16/652871916.db2.gz YZNQDZOFTFACTH-UHFFFAOYSA-N -1 1 392.662 2.264 20 10 GECDMM Cn1[n-]cc2c(=NC(=O)NCc3cccc(Br)c3O)ccnc1-2 ZINC000806493584 653166982 /nfs/dbraw/zinc/16/69/82/653166982.db2.gz ZAVSQCIWZOVKRX-UHFFFAOYSA-N -1 1 376.214 2.132 20 10 GECDMM CCS(=O)(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])[C@H](C)C1 ZINC000809725091 653291939 /nfs/dbraw/zinc/29/19/39/653291939.db2.gz IZJHQFTWZVCEQN-GFCCVEGCSA-N -1 1 391.331 2.319 20 10 GECDMM NC(=O)Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000811921751 653412768 /nfs/dbraw/zinc/41/27/68/653412768.db2.gz GGQPRKHNGDKFKC-UHFFFAOYSA-N -1 1 392.253 2.182 20 10 GECDMM O=C(COC(=O)c1c(Br)nc2n1CCCC2)c1ccc([O-])c(O)c1 ZINC000838444718 653622246 /nfs/dbraw/zinc/62/22/46/653622246.db2.gz IALPBKUQXCMMBZ-UHFFFAOYSA-N -1 1 395.209 2.433 20 10 GECDMM O=C(COC(=O)[C@H](O)c1ccc(Br)cc1)c1ccc([O-])c(O)c1 ZINC000783683754 653682837 /nfs/dbraw/zinc/68/28/37/653682837.db2.gz TVKDIUJOHRPJCU-OAHLLOKOSA-N -1 1 381.178 2.320 20 10 GECDMM CCOC(=O)CS[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(F)(F)F ZINC000881442919 653731519 /nfs/dbraw/zinc/73/15/19/653731519.db2.gz AALZMIOGXOLFTR-VIFPVBQESA-N -1 1 385.335 2.194 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCN(CC(F)F)C1 ZINC000841595205 653737751 /nfs/dbraw/zinc/73/77/51/653737751.db2.gz QOHUVBVBBHVOOI-JTQLQIEISA-N -1 1 378.217 2.293 20 10 GECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000792703257 653850158 /nfs/dbraw/zinc/85/01/58/653850158.db2.gz RQCLNNKDRUYNGW-UHFFFAOYSA-N -1 1 377.451 2.105 20 10 GECDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000800832939 654159554 /nfs/dbraw/zinc/15/95/54/654159554.db2.gz PRWNHUONPKCCEL-UHFFFAOYSA-N -1 1 377.447 2.407 20 10 GECDMM CS(=O)(=O)c1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000803213634 654267573 /nfs/dbraw/zinc/26/75/73/654267573.db2.gz FXGOCGHRUCWJDW-UHFFFAOYSA-N -1 1 398.278 2.417 20 10 GECDMM COC(=O)c1ncoc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000834476403 654328338 /nfs/dbraw/zinc/32/83/38/654328338.db2.gz XTJWMKFUIOWYCB-UHFFFAOYSA-N -1 1 383.198 2.178 20 10 GECDMM CC(C)(C)OC(=O)NOCC(=O)NCc1cccc(Br)c1[O-] ZINC000907758667 654575271 /nfs/dbraw/zinc/57/52/71/654575271.db2.gz RTSYMXXXJRKBGK-UHFFFAOYSA-N -1 1 375.219 2.227 20 10 GECDMM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177280263 532167416 /nfs/dbraw/zinc/16/74/16/532167416.db2.gz QTPSWYAXJLEACF-UHFFFAOYSA-N -1 1 388.917 2.494 20 10 GECDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])[C@@H](C)n2ncnc2N1C ZINC000282277749 532452027 /nfs/dbraw/zinc/45/20/27/532452027.db2.gz JXVBLSOZIJBDJU-SNVBAGLBSA-N -1 1 392.257 2.347 20 10 GECDMM CC[C@@H]1CN(CCn2cccn2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736942283 600226510 /nfs/dbraw/zinc/22/65/10/600226510.db2.gz APMAGLDNNIDBJI-XTKXOIQPSA-N -1 1 399.451 2.490 20 10 GECDMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000739028905 602444605 /nfs/dbraw/zinc/44/46/05/602444605.db2.gz SCSIFALBLIHTJI-HNNXBMFYSA-N -1 1 376.501 2.079 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)C3(NC(=O)[O-])CCCC3)cc2F)CC1 ZINC000739462150 602753118 /nfs/dbraw/zinc/75/31/18/602753118.db2.gz VWJGGIFICLZDNY-UHFFFAOYSA-N -1 1 392.475 2.164 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000827226867 603580664 /nfs/dbraw/zinc/58/06/64/603580664.db2.gz AGOQNDJKVSGACR-HOTGVXAUSA-N -1 1 392.475 2.020 20 10 GECDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000825254712 604168706 /nfs/dbraw/zinc/16/87/06/604168706.db2.gz OEVTZJMDUQCYAI-RDJZCZTQSA-N -1 1 376.501 2.079 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2F)CC1 ZINC000829780435 604685089 /nfs/dbraw/zinc/68/50/89/604685089.db2.gz HFACQBKDXBWNPS-MRXNPFEDSA-N -1 1 392.475 2.116 20 10 GECDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820392707 606535647 /nfs/dbraw/zinc/53/56/47/606535647.db2.gz ZKRXXFRADMKDQI-GFCCVEGCSA-N -1 1 384.465 2.256 20 10 GECDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820392707 606535649 /nfs/dbraw/zinc/53/56/49/606535649.db2.gz ZKRXXFRADMKDQI-GFCCVEGCSA-N -1 1 384.465 2.256 20 10 GECDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254420 606567589 /nfs/dbraw/zinc/56/75/89/606567589.db2.gz UEYPWAIMMCDIFS-UHFFFAOYSA-N -1 1 398.492 2.067 20 10 GECDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254420 606567591 /nfs/dbraw/zinc/56/75/91/606567591.db2.gz UEYPWAIMMCDIFS-UHFFFAOYSA-N -1 1 398.492 2.067 20 10 GECDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823484578 606596838 /nfs/dbraw/zinc/59/68/38/606596838.db2.gz ZAQBDZVSKSUUHN-CYBMUJFWSA-N -1 1 385.449 2.455 20 10 GECDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823484578 606596840 /nfs/dbraw/zinc/59/68/40/606596840.db2.gz ZAQBDZVSKSUUHN-CYBMUJFWSA-N -1 1 385.449 2.455 20 10 GECDMM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000129771306 643826905 /nfs/dbraw/zinc/82/69/05/643826905.db2.gz KZWZPELUYADSBA-UHFFFAOYSA-N -1 1 391.877 2.248 20 10 GECDMM COC(=O)CN(CCC[N-]C(=O)C(F)(F)F)Cc1cc(Cl)ccc1O ZINC000180795773 644514771 /nfs/dbraw/zinc/51/47/71/644514771.db2.gz CMLBZYSCKLDXLC-UHFFFAOYSA-N -1 1 382.766 2.089 20 10 GECDMM COC(=O)N1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277450036 646422251 /nfs/dbraw/zinc/42/22/51/646422251.db2.gz NHXKZGBSFNTGQU-UHFFFAOYSA-N -1 1 386.246 2.185 20 10 GECDMM C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(Br)c1[O-])CS2 ZINC000277564116 646442591 /nfs/dbraw/zinc/44/25/91/646442591.db2.gz PRPTXGSIQRNVGT-ABAIWWIYSA-N -1 1 385.283 2.225 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000277578157 646445429 /nfs/dbraw/zinc/44/54/29/646445429.db2.gz RHVWWUOSIVYOAO-SCZZXKLOSA-N -1 1 395.175 2.228 20 10 GECDMM CCOC(=O)c1cn(C)nc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278132105 646496048 /nfs/dbraw/zinc/49/60/48/646496048.db2.gz SMIWAXFLJRHCBX-UHFFFAOYSA-N -1 1 397.229 2.387 20 10 GECDMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(Cl)c1 ZINC000757654655 652520141 /nfs/dbraw/zinc/52/01/41/652520141.db2.gz GEVGXHLZYYUPFX-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000758161577 652532026 /nfs/dbraw/zinc/53/20/26/652532026.db2.gz GTVYXAJUJJJGAS-UHFFFAOYSA-N -1 1 397.261 2.147 20 10 GECDMM O=C(NCCNC(=O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764763303 652811341 /nfs/dbraw/zinc/81/13/41/652811341.db2.gz ULEXHVHAPFPXOL-UHFFFAOYSA-N -1 1 392.253 2.384 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-n2cnnn2)cc1 ZINC000765217164 652831998 /nfs/dbraw/zinc/83/19/98/652831998.db2.gz HIQPVWKVASDYEG-UHFFFAOYSA-N -1 1 389.213 2.452 20 10 GECDMM COc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765902542 652857265 /nfs/dbraw/zinc/85/72/65/652857265.db2.gz AEOJYNFVDIAUJB-UHFFFAOYSA-N -1 1 394.225 2.122 20 10 GECDMM COCCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000809762906 653294155 /nfs/dbraw/zinc/29/41/55/653294155.db2.gz DJVNNPDGWJDLJG-CYBMUJFWSA-N -1 1 392.315 2.099 20 10 GECDMM CN(C)c1ncc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783669123 653682672 /nfs/dbraw/zinc/68/26/72/653682672.db2.gz FQKQNPZJQJFVOZ-UHFFFAOYSA-N -1 1 395.209 2.361 20 10 GECDMM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843432734 653786900 /nfs/dbraw/zinc/78/69/00/653786900.db2.gz ORMCSFTWUXJPDU-CYBMUJFWSA-N -1 1 381.738 2.454 20 10 GECDMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCC(CO)CC3)cc2)sn1 ZINC000866834830 653835599 /nfs/dbraw/zinc/83/55/99/653835599.db2.gz POCGIUWMLMGDBN-UHFFFAOYSA-N -1 1 381.523 2.139 20 10 GECDMM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1OC ZINC000795346742 653946954 /nfs/dbraw/zinc/94/69/54/653946954.db2.gz CLIAOTHDESIGCL-UHFFFAOYSA-N -1 1 388.804 2.354 20 10 GECDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000799532521 654100147 /nfs/dbraw/zinc/10/01/47/654100147.db2.gz SMXPDGBWBAADJE-UHFFFAOYSA-N -1 1 385.239 2.363 20 10 GECDMM CCC1(Cn2cc(C(=O)NCc3cccc(Br)c3[O-])nn2)COC1 ZINC000834476183 654328506 /nfs/dbraw/zinc/32/85/06/654328506.db2.gz QJEOFSVAABBXCX-UHFFFAOYSA-N -1 1 395.257 2.103 20 10 GECDMM CN(CC(=O)N1CCOCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893901500 654429868 /nfs/dbraw/zinc/42/98/68/654429868.db2.gz PBPQPSVKTWFCKQ-UHFFFAOYSA-N -1 1 377.666 2.099 20 10 GECDMM Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000287000523 532778555 /nfs/dbraw/zinc/77/85/55/532778555.db2.gz QECUPRBTIHMTRI-JSGCOSHPSA-N -1 1 395.257 2.218 20 10 GECDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cn1 ZINC000821831797 599311892 /nfs/dbraw/zinc/31/18/92/599311892.db2.gz MVVJOJZPCJUUNE-IZZDOVSWSA-N -1 1 386.418 2.269 20 10 GECDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cn1 ZINC000821831797 599311895 /nfs/dbraw/zinc/31/18/95/599311895.db2.gz MVVJOJZPCJUUNE-IZZDOVSWSA-N -1 1 386.418 2.269 20 10 GECDMM CC[C@H]1CN(CCn2cccn2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736942282 600226558 /nfs/dbraw/zinc/22/65/58/600226558.db2.gz APMAGLDNNIDBJI-WVRJYTFGSA-N -1 1 399.451 2.490 20 10 GECDMM CCc1cc(CN(CCN2CCOCC2)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000830218773 600984661 /nfs/dbraw/zinc/98/46/61/600984661.db2.gz OAFJVFJRIYTACK-UHFFFAOYSA-N -1 1 378.513 2.471 20 10 GECDMM CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353113 602578794 /nfs/dbraw/zinc/57/87/94/602578794.db2.gz YTLCIYFUPLIKIZ-GOSISDBHSA-N -1 1 376.501 2.175 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000827226868 603580971 /nfs/dbraw/zinc/58/09/71/603580971.db2.gz AGOQNDJKVSGACR-HZPDHXFCSA-N -1 1 392.475 2.020 20 10 GECDMM O=C([O-])[C@H](O)C1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000833771178 604762977 /nfs/dbraw/zinc/76/29/77/604762977.db2.gz XLMDSCSHDYGIRR-GOSISDBHSA-N -1 1 377.441 2.243 20 10 GECDMM CC(C)(CNC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823952704 605294259 /nfs/dbraw/zinc/29/42/59/605294259.db2.gz SJECVTQKDOYWOE-CQSZACIVSA-N -1 1 383.876 2.420 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1Cc1ccon1 ZINC000823504853 606975609 /nfs/dbraw/zinc/97/56/09/606975609.db2.gz VLAGFHRKQIPSJC-YHYXMXQVSA-N -1 1 376.448 2.318 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826369889 608426466 /nfs/dbraw/zinc/42/64/66/608426466.db2.gz UYRRXZRFHBGDDB-NSHDSACASA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826369889 608426467 /nfs/dbraw/zinc/42/64/67/608426467.db2.gz UYRRXZRFHBGDDB-NSHDSACASA-N -1 1 388.382 2.339 20 10 GECDMM CS(=O)(=O)CCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277387972 646412022 /nfs/dbraw/zinc/41/20/22/646412022.db2.gz IRQZGEZFKFJIPD-UHFFFAOYSA-N -1 1 393.303 2.169 20 10 GECDMM CCC(=O)N[C@H](CCSC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277521136 646435493 /nfs/dbraw/zinc/43/54/93/646435493.db2.gz LUWKXERQNQXZHH-GFCCVEGCSA-N -1 1 389.315 2.419 20 10 GECDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])N1CCOCC1 ZINC000278313778 646512801 /nfs/dbraw/zinc/51/28/01/646512801.db2.gz IGATZZYVPVJXSN-UHFFFAOYSA-N -1 1 386.290 2.065 20 10 GECDMM O=C1NC(=O)c2cc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)ccc21 ZINC000758162192 652531995 /nfs/dbraw/zinc/53/19/95/652531995.db2.gz HWRGXNOPJMSYHI-UHFFFAOYSA-N -1 1 387.200 2.383 20 10 GECDMM COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764771205 652811849 /nfs/dbraw/zinc/81/18/49/652811849.db2.gz UXBNTMJTEAQGDU-LLVKDONJSA-N -1 1 386.246 2.185 20 10 GECDMM O=C(NCCCOC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000764782568 652812584 /nfs/dbraw/zinc/81/25/84/652812584.db2.gz FTIXNRCXOVODTB-LBPRGKRZSA-N -1 1 387.274 2.397 20 10 GECDMM COc1ncnc(N(C)C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765315587 652836347 /nfs/dbraw/zinc/83/63/47/652836347.db2.gz MBMLGQPANTZUQZ-UHFFFAOYSA-N -1 1 396.245 2.341 20 10 GECDMM CCc1ncsc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765904226 652856945 /nfs/dbraw/zinc/85/69/45/652856945.db2.gz PYXYGGPXLOUVQY-UHFFFAOYSA-N -1 1 384.255 2.429 20 10 GECDMM CN(C)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765904768 652857105 /nfs/dbraw/zinc/85/71/05/652857105.db2.gz VFUXSQFTDXGZOG-UHFFFAOYSA-N -1 1 392.253 2.476 20 10 GECDMM CCCn1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903140 652857277 /nfs/dbraw/zinc/85/72/77/652857277.db2.gz FVEIWDOLCSSPAW-UHFFFAOYSA-N -1 1 381.230 2.016 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000765904382 652857286 /nfs/dbraw/zinc/85/72/86/652857286.db2.gz SOQOHDSIKKGNLL-UHFFFAOYSA-N -1 1 393.193 2.138 20 10 GECDMM CCCn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765928580 652858141 /nfs/dbraw/zinc/85/81/41/652858141.db2.gz ZUGWKQPZMCSRQH-UHFFFAOYSA-N -1 1 381.230 2.016 20 10 GECDMM Cn1[n-]cc2c(=NC(=O)NCc3cc(Br)ccc3O)ccnc1-2 ZINC000806492598 653166634 /nfs/dbraw/zinc/16/66/34/653166634.db2.gz IUXIBENMDLFTSB-UHFFFAOYSA-N -1 1 376.214 2.132 20 10 GECDMM CCOC(=O)C1CCN(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CC1 ZINC000808114665 653219660 /nfs/dbraw/zinc/21/96/60/653219660.db2.gz DFUDBFNPCBSYRA-UHFFFAOYSA-N -1 1 380.825 2.117 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000781913314 653651822 /nfs/dbraw/zinc/65/18/22/653651822.db2.gz SDLFCXMBVFESFP-UHFFFAOYSA-N -1 1 379.258 2.045 20 10 GECDMM O=S(=O)([N-]CCCSc1nccs1)c1nc[nH]c1Br ZINC000866780710 653824759 /nfs/dbraw/zinc/82/47/59/653824759.db2.gz CDSCCDUNCDCCDA-UHFFFAOYSA-N -1 1 383.318 2.089 20 10 GECDMM CCOC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000803214422 654267908 /nfs/dbraw/zinc/26/79/08/654267908.db2.gz VGAOKWZBFLFAJI-UHFFFAOYSA-N -1 1 386.242 2.131 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H](N1CCOCC1)C(F)(F)F ZINC000894809794 654500287 /nfs/dbraw/zinc/50/02/87/654500287.db2.gz ALOPIXABWLJDKU-LBPRGKRZSA-N -1 1 381.782 2.108 20 10 GECDMM CC[C@H](CN1CCOCC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000925594408 654546365 /nfs/dbraw/zinc/54/63/65/654546365.db2.gz HDRXGHYSPSWXMO-CYBMUJFWSA-N -1 1 386.290 2.065 20 10 GECDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])CS(C)(=O)=O ZINC000926742802 654581332 /nfs/dbraw/zinc/58/13/32/654581332.db2.gz KUHLMYVIJHLTJI-UHFFFAOYSA-N -1 1 393.303 2.025 20 10 GECDMM O=C([O-])CSCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369654 654723310 /nfs/dbraw/zinc/72/33/10/654723310.db2.gz ZBVWXOWGBOSJHC-CQSZACIVSA-N -1 1 386.901 2.334 20 10 GECDMM C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054867 532339633 /nfs/dbraw/zinc/33/96/33/532339633.db2.gz BVRCPNVIBQWXEX-QMTHXVAHSA-N -1 1 379.258 2.344 20 10 GECDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])[C@H](C)n2ncnc2N1C ZINC000282276096 532452443 /nfs/dbraw/zinc/45/24/43/532452443.db2.gz JXVBLSOZIJBDJU-JTQLQIEISA-N -1 1 392.257 2.347 20 10 GECDMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000298676583 532667985 /nfs/dbraw/zinc/66/79/85/532667985.db2.gz VUQDNDKCBZCUHI-UHFFFAOYSA-N -1 1 384.479 2.224 20 10 GECDMM CCCc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000829570963 601560335 /nfs/dbraw/zinc/56/03/35/601560335.db2.gz MFKWLBICTRPIDF-KEDPEKRHSA-N -1 1 387.396 2.341 20 10 GECDMM CCCc1n[nH]c([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n1 ZINC000829570963 601560336 /nfs/dbraw/zinc/56/03/36/601560336.db2.gz MFKWLBICTRPIDF-KEDPEKRHSA-N -1 1 387.396 2.341 20 10 GECDMM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826705271 604914492 /nfs/dbraw/zinc/91/44/92/604914492.db2.gz MIJXNIKLBBSGLU-HOCLYGCPSA-N -1 1 383.876 2.418 20 10 GECDMM CC(C)(CNC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823952703 605294320 /nfs/dbraw/zinc/29/43/20/605294320.db2.gz SJECVTQKDOYWOE-AWEZNQCLSA-N -1 1 383.876 2.420 20 10 GECDMM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821832031 606527607 /nfs/dbraw/zinc/52/76/07/606527607.db2.gz XGQCLACUWODPQE-UHFFFAOYSA-N -1 1 384.465 2.289 20 10 GECDMM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821832031 606527609 /nfs/dbraw/zinc/52/76/09/606527609.db2.gz XGQCLACUWODPQE-UHFFFAOYSA-N -1 1 384.465 2.289 20 10 GECDMM COc1ccc(N2CCC(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831724 606706623 /nfs/dbraw/zinc/70/66/23/606706623.db2.gz KMSTUCHZSPMYMJ-UHFFFAOYSA-N -1 1 396.411 2.259 20 10 GECDMM COc1ccc(N2CCC(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831724 606706625 /nfs/dbraw/zinc/70/66/25/606706625.db2.gz KMSTUCHZSPMYMJ-UHFFFAOYSA-N -1 1 396.411 2.259 20 10 GECDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277643195 646456811 /nfs/dbraw/zinc/45/68/11/646456811.db2.gz YFWIAJDUGBSQIF-UHFFFAOYSA-N -1 1 383.202 2.274 20 10 GECDMM NC(=O)COc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765232414 652832881 /nfs/dbraw/zinc/83/28/81/652832881.db2.gz BFGCFWODGWIWJE-UHFFFAOYSA-N -1 1 394.225 2.341 20 10 GECDMM CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765732637 652850568 /nfs/dbraw/zinc/85/05/68/652850568.db2.gz RDHQQBJLWNOFCG-WAYWQWQTSA-N -1 1 390.237 2.239 20 10 GECDMM Cc1cc(C)n2nc(C(=O)NCc3cccc(Br)c3[O-])nc2n1 ZINC000765737672 652851201 /nfs/dbraw/zinc/85/12/01/652851201.db2.gz VJJNTBLVARRYPA-UHFFFAOYSA-N -1 1 376.214 2.139 20 10 GECDMM O=C1OCc2c1cccc2S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201865 652871384 /nfs/dbraw/zinc/87/13/84/652871384.db2.gz WLFGIKJZPOUOMW-UHFFFAOYSA-N -1 1 398.234 2.304 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000836692951 653370301 /nfs/dbraw/zinc/37/03/01/653370301.db2.gz YFIFHLCBBWXCOJ-AAEUAGOBSA-N -1 1 382.258 2.107 20 10 GECDMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776748981 653375513 /nfs/dbraw/zinc/37/55/13/653375513.db2.gz SJNRFOHAYSMSAT-UHFFFAOYSA-N -1 1 390.870 2.097 20 10 GECDMM O=C(COC(=O)c1c(Br)nc2n1CCC2)c1ccc([O-])c(O)c1 ZINC000838305865 653618986 /nfs/dbraw/zinc/61/89/86/653618986.db2.gz JMEKWAXLURZOJC-UHFFFAOYSA-N -1 1 381.182 2.043 20 10 GECDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000840915265 653700768 /nfs/dbraw/zinc/70/07/68/653700768.db2.gz NOBFCCUFPYIAML-UHFFFAOYSA-N -1 1 385.463 2.051 20 10 GECDMM COCC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000840995355 653704890 /nfs/dbraw/zinc/70/48/90/653704890.db2.gz IWIIBVCYPYQENT-UHFFFAOYSA-N -1 1 397.063 2.450 20 10 GECDMM CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895414049 653833473 /nfs/dbraw/zinc/83/34/73/653833473.db2.gz AHBSSXASIYXMHV-JTQLQIEISA-N -1 1 395.294 2.055 20 10 GECDMM CCOC(=O)C1(S(=O)(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000867194969 653891838 /nfs/dbraw/zinc/89/18/38/653891838.db2.gz MKHWIQSQDYKLEH-UHFFFAOYSA-N -1 1 392.271 2.060 20 10 GECDMM COC(=O)[C@@](C)(Cn1cccn1)NCc1cc(C)cc(Br)c1[O-] ZINC000898339613 653963874 /nfs/dbraw/zinc/96/38/74/653963874.db2.gz HKKQWSNRWRUFLV-MRXNPFEDSA-N -1 1 382.258 2.381 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000797430993 654031252 /nfs/dbraw/zinc/03/12/52/654031252.db2.gz FCNXVSAIYILEIE-UHFFFAOYSA-N -1 1 389.886 2.325 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000834476172 654328381 /nfs/dbraw/zinc/32/83/81/654328381.db2.gz QAGNILATNAUELB-SGMGOOAPSA-N -1 1 381.270 2.466 20 10 GECDMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000288589709 532832684 /nfs/dbraw/zinc/83/26/84/532832684.db2.gz SFXWNCURALKPBJ-UHFFFAOYSA-N -1 1 384.479 2.190 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)NCCCCC(=O)[O-])cc2F)CC1 ZINC000737123276 600020792 /nfs/dbraw/zinc/02/07/92/600020792.db2.gz QSNXTFXMFAOEFY-UHFFFAOYSA-N -1 1 380.464 2.022 20 10 GECDMM O=C([O-])CS(=O)(=O)Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000833263290 601976101 /nfs/dbraw/zinc/97/61/01/601976101.db2.gz KHFRCDDWRMJWKF-UHFFFAOYSA-N -1 1 383.853 2.335 20 10 GECDMM O=C([O-])CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000833261564 601976313 /nfs/dbraw/zinc/97/63/13/601976313.db2.gz BOLNCKPUJSJNLK-UHFFFAOYSA-N -1 1 383.853 2.335 20 10 GECDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000825254708 604168402 /nfs/dbraw/zinc/16/84/02/604168402.db2.gz OEVTZJMDUQCYAI-DOTOQJQBSA-N -1 1 376.501 2.079 20 10 GECDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000823625501 606700471 /nfs/dbraw/zinc/70/04/71/606700471.db2.gz WVDNCYYVGYHVFK-UHFFFAOYSA-N -1 1 398.452 2.335 20 10 GECDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000823625501 606700472 /nfs/dbraw/zinc/70/04/72/606700472.db2.gz WVDNCYYVGYHVFK-UHFFFAOYSA-N -1 1 398.452 2.335 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@H](C)O1 ZINC000824991789 608401463 /nfs/dbraw/zinc/40/14/63/608401463.db2.gz HEADFXSLQMYNQR-TXEJJXNPSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@H](C)O1 ZINC000824991789 608401465 /nfs/dbraw/zinc/40/14/65/608401465.db2.gz HEADFXSLQMYNQR-TXEJJXNPSA-N -1 1 384.419 2.022 20 10 GECDMM CCN(C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)S(C)(=O)=O ZINC000093320619 643076397 /nfs/dbraw/zinc/07/63/97/643076397.db2.gz DBBZLEIQGQVIAK-UHFFFAOYSA-N -1 1 391.877 2.200 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000277467891 646425967 /nfs/dbraw/zinc/42/59/67/646425967.db2.gz HODVKQCUIKKOQF-VIFPVBQESA-N -1 1 395.175 2.182 20 10 GECDMM CCOC(=O)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277494229 646431538 /nfs/dbraw/zinc/43/15/38/646431538.db2.gz QRUFFSNURLXXOE-NSHDSACASA-N -1 1 386.246 2.185 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1[O-] ZINC000287967370 646903939 /nfs/dbraw/zinc/90/39/39/646903939.db2.gz ZBXHYSBJKCKWSH-LMKMVOKYSA-N -1 1 381.885 2.287 20 10 GECDMM COc1cccc(C[C@H](O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765730498 652850610 /nfs/dbraw/zinc/85/06/10/652850610.db2.gz CENYVKJQFSQFOF-HNNXBMFYSA-N -1 1 380.238 2.383 20 10 GECDMM Cc1cccn2c(=O)c(C(=O)NCc3cccc(Br)c3[O-])cnc12 ZINC000765746089 652851874 /nfs/dbraw/zinc/85/18/74/652851874.db2.gz DFUAHMSEADLTCA-UHFFFAOYSA-N -1 1 388.221 2.401 20 10 GECDMM CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765752957 652852282 /nfs/dbraw/zinc/85/22/82/652852282.db2.gz KJPDATYPHWJAGT-UHFFFAOYSA-N -1 1 399.266 2.456 20 10 GECDMM NC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1Cl ZINC000807417479 653193622 /nfs/dbraw/zinc/19/36/22/653193622.db2.gz YYRIHKWZEZKZKY-UHFFFAOYSA-N -1 1 384.617 2.232 20 10 GECDMM Cc1cc(C)nc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000773754801 653212850 /nfs/dbraw/zinc/21/28/50/653212850.db2.gz MBFOXVVEIRSNKD-UHFFFAOYSA-N -1 1 378.226 2.421 20 10 GECDMM CS(=O)(=O)C1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000879774822 653681660 /nfs/dbraw/zinc/68/16/60/653681660.db2.gz MPFRZNPJGRILPD-UHFFFAOYSA-N -1 1 390.299 2.374 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C1(n2cnnn2)CCCCC1 ZINC000846013361 653880639 /nfs/dbraw/zinc/88/06/39/653880639.db2.gz AXDUKOGBZVSYDY-UHFFFAOYSA-N -1 1 380.246 2.117 20 10 GECDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)c1 ZINC000796192343 653991023 /nfs/dbraw/zinc/99/10/23/653991023.db2.gz ZJMUUUPZSNPMJB-UHFFFAOYSA-N -1 1 390.211 2.013 20 10 GECDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000849416835 654028087 /nfs/dbraw/zinc/02/80/87/654028087.db2.gz XLUOLCNHPIHOOW-NSHDSACASA-N -1 1 383.451 2.222 20 10 GECDMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000044895013 531687819 /nfs/dbraw/zinc/68/78/19/531687819.db2.gz OPKGMBSTTUHEER-UHFFFAOYSA-N -1 1 387.439 2.035 20 10 GECDMM CCN(C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1)S(C)(=O)=O ZINC000177280459 532167825 /nfs/dbraw/zinc/16/78/25/532167825.db2.gz CVQGIDFGVFYWCE-UHFFFAOYSA-N -1 1 388.917 2.494 20 10 GECDMM NC(=O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000183448855 532325117 /nfs/dbraw/zinc/32/51/17/532325117.db2.gz MHDMEFXAUNJAJR-ZETCQYMHSA-N -1 1 378.064 2.224 20 10 GECDMM C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054166 532339626 /nfs/dbraw/zinc/33/96/26/532339626.db2.gz BRNIBYINKGKIDR-HZMBPMFUSA-N -1 1 379.258 2.344 20 10 GECDMM Cn1nc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000291190276 532898132 /nfs/dbraw/zinc/89/81/32/532898132.db2.gz FYFJYZZIDUAAGF-UHFFFAOYSA-N -1 1 393.241 2.021 20 10 GECDMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000737685720 600313157 /nfs/dbraw/zinc/31/31/57/600313157.db2.gz NQIQVQSHDSOWHR-LBPRGKRZSA-N -1 1 386.404 2.336 20 10 GECDMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000739006968 602273126 /nfs/dbraw/zinc/27/31/26/602273126.db2.gz GUOSJSYHRGWKEJ-MAUKXSAKSA-N -1 1 376.501 2.222 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])cc2F)CC1 ZINC000739454985 602989940 /nfs/dbraw/zinc/98/99/40/602989940.db2.gz CYEPHZJPRGXWLA-RDJZCZTQSA-N -1 1 392.475 2.020 20 10 GECDMM CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825980901 607626155 /nfs/dbraw/zinc/62/61/55/607626155.db2.gz LEIAUUSUEXWAAM-UHFFFAOYSA-N -1 1 379.829 2.046 20 10 GECDMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834024184 605593475 /nfs/dbraw/zinc/59/34/75/605593475.db2.gz BCUPYQNUWXNPBL-CZUORRHYSA-N -1 1 379.432 2.002 20 10 GECDMM CCN(CC)c1ccc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821198264 606157124 /nfs/dbraw/zinc/15/71/24/606157124.db2.gz QHTAWCNFCIJNBY-UHFFFAOYSA-N -1 1 383.460 2.110 20 10 GECDMM CCN(CC)c1ccc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821198264 606157125 /nfs/dbraw/zinc/15/71/25/606157125.db2.gz QHTAWCNFCIJNBY-UHFFFAOYSA-N -1 1 383.460 2.110 20 10 GECDMM COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1F ZINC000821831671 606624824 /nfs/dbraw/zinc/62/48/24/606624824.db2.gz IKCVKSFUQHJRPM-UHFFFAOYSA-N -1 1 388.428 2.038 20 10 GECDMM COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1F ZINC000821831671 606624825 /nfs/dbraw/zinc/62/48/25/606624825.db2.gz IKCVKSFUQHJRPM-UHFFFAOYSA-N -1 1 388.428 2.038 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000277467890 646425871 /nfs/dbraw/zinc/42/58/71/646425871.db2.gz HODVKQCUIKKOQF-SECBINFHSA-N -1 1 395.175 2.182 20 10 GECDMM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000282127992 646816694 /nfs/dbraw/zinc/81/66/94/646816694.db2.gz CCWAHCODQPLVRL-UHFFFAOYSA-N -1 1 384.479 2.224 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccnc1-n1cncn1 ZINC000765277543 652834872 /nfs/dbraw/zinc/83/48/72/652834872.db2.gz QPXBVCOCAFNWSX-UHFFFAOYSA-N -1 1 389.213 2.452 20 10 GECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c2c(=O)[nH]n(C)c2n1 ZINC000765728452 652850141 /nfs/dbraw/zinc/85/01/41/652850141.db2.gz SRESGUJWVUVBEI-UHFFFAOYSA-N -1 1 391.225 2.380 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000765751276 652852310 /nfs/dbraw/zinc/85/23/10/652852310.db2.gz DHCIJPJISWLLSD-UHFFFAOYSA-N -1 1 377.194 2.416 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(N2CCOCC2)nc1 ZINC000765766858 652853163 /nfs/dbraw/zinc/85/31/63/652853163.db2.gz CXRMAMDMJFJBHW-UHFFFAOYSA-N -1 1 392.253 2.316 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1c1ncccn1 ZINC000765771010 652853778 /nfs/dbraw/zinc/85/37/78/652853778.db2.gz VCTXKWPPLFODAZ-CYBMUJFWSA-N -1 1 377.242 2.230 20 10 GECDMM COC(=O)CNS(=O)(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000809682887 653289605 /nfs/dbraw/zinc/28/96/05/653289605.db2.gz HJCZGYDHFAKYPJ-UHFFFAOYSA-N -1 1 384.841 2.109 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000781894754 653651380 /nfs/dbraw/zinc/65/13/80/653651380.db2.gz MGXNYDTVASWTTK-HNNXBMFYSA-N -1 1 383.286 2.286 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000781894756 653651471 /nfs/dbraw/zinc/65/14/71/653651471.db2.gz MGXNYDTVASWTTK-OAHLLOKOSA-N -1 1 383.286 2.286 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCS3(=O)=O)CC2)c1[O-] ZINC000839621317 653658304 /nfs/dbraw/zinc/65/83/04/653658304.db2.gz DQWUMVGWTNUCNE-UHFFFAOYSA-N -1 1 386.901 2.248 20 10 GECDMM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843432735 653786755 /nfs/dbraw/zinc/78/67/55/653786755.db2.gz ORMCSFTWUXJPDU-ZDUSSCGKSA-N -1 1 381.738 2.454 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc2c1CCO2 ZINC000797354014 654028951 /nfs/dbraw/zinc/02/89/51/654028951.db2.gz WKFZUXDZKHFNLK-UHFFFAOYSA-N -1 1 391.221 2.345 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000797431500 654031672 /nfs/dbraw/zinc/03/16/72/654031672.db2.gz QPOKXGZNJXCJIU-UHFFFAOYSA-N -1 1 389.886 2.325 20 10 GECDMM Cn1ccnc1[C@](O)(CC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890757931 654241234 /nfs/dbraw/zinc/24/12/34/654241234.db2.gz NIKJEQSWXOHVNH-CQSZACIVSA-N -1 1 377.750 2.236 20 10 GECDMM CCCS(=O)(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000891802389 654312555 /nfs/dbraw/zinc/31/25/55/654312555.db2.gz BBVGDOAOSXMVGH-UHFFFAOYSA-N -1 1 389.905 2.049 20 10 GECDMM O=C(NCc1cc(Br)ccc1O)c1ccc2n[n-]c(=S)n2c1 ZINC000804734942 654319255 /nfs/dbraw/zinc/31/92/55/654319255.db2.gz FJFVUAAUKUTKJZ-UHFFFAOYSA-N -1 1 379.239 2.416 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000834476171 654328328 /nfs/dbraw/zinc/32/83/28/654328328.db2.gz QAGNILATNAUELB-OBJOEFQTSA-N -1 1 381.270 2.466 20 10 GECDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O ZINC000872479974 654351351 /nfs/dbraw/zinc/35/13/51/654351351.db2.gz RXRSQFSICZMDOC-HXUWFJFHSA-N -1 1 399.332 2.385 20 10 GECDMM C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054182 532339699 /nfs/dbraw/zinc/33/96/99/532339699.db2.gz BRNIBYINKGKIDR-YGRLFVJLSA-N -1 1 379.258 2.344 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000529639008 532609938 /nfs/dbraw/zinc/60/99/38/532609938.db2.gz IPOBTVQUOGSLGC-UHFFFAOYSA-N -1 1 389.315 2.073 20 10 GECDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000274192411 532844148 /nfs/dbraw/zinc/84/41/48/532844148.db2.gz RJXTUXYPFICMEM-UHFFFAOYSA-N -1 1 383.495 2.254 20 10 GECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1cccnc1 ZINC000823504596 599312569 /nfs/dbraw/zinc/31/25/69/599312569.db2.gz RRFBMZUCRLEJSD-JYRVWZFOSA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1cccnc1 ZINC000823504596 599312570 /nfs/dbraw/zinc/31/25/70/599312570.db2.gz RRFBMZUCRLEJSD-JYRVWZFOSA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1ccccn1 ZINC000823504133 599312946 /nfs/dbraw/zinc/31/29/46/599312946.db2.gz MQKGLAXULLMESP-LCYFTJDESA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1ccccn1 ZINC000823504133 599312948 /nfs/dbraw/zinc/31/29/48/599312948.db2.gz MQKGLAXULLMESP-LCYFTJDESA-N -1 1 384.446 2.299 20 10 GECDMM CCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000739319053 602753125 /nfs/dbraw/zinc/75/31/25/602753125.db2.gz YTKSBIVFIBETCA-INIZCTEOSA-N -1 1 380.464 2.020 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])cc2F)CC1 ZINC000739454980 602990022 /nfs/dbraw/zinc/99/00/22/602990022.db2.gz CYEPHZJPRGXWLA-NVXWUHKLSA-N -1 1 392.475 2.020 20 10 GECDMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834024182 605593490 /nfs/dbraw/zinc/59/34/90/605593490.db2.gz BCUPYQNUWXNPBL-BBRMVZONSA-N -1 1 379.432 2.002 20 10 GECDMM CC(C)(C)OC(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277410223 646415638 /nfs/dbraw/zinc/41/56/38/646415638.db2.gz KLQJJUZRKBIZBJ-UHFFFAOYSA-N -1 1 388.262 2.479 20 10 GECDMM CC(=O)NC1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277421453 646416732 /nfs/dbraw/zinc/41/67/32/646416732.db2.gz LEWVKFUAFALYBK-UHFFFAOYSA-N -1 1 384.274 2.401 20 10 GECDMM CCCC1N=NC(=S)N1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277459582 646424561 /nfs/dbraw/zinc/42/45/61/646424561.db2.gz GUYLNTXREWTUTP-UHFFFAOYSA-N -1 1 385.287 2.304 20 10 GECDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)ccc1O ZINC000280514881 646690031 /nfs/dbraw/zinc/69/00/31/646690031.db2.gz FAYDFKKZJORTLF-UHFFFAOYSA-N -1 1 385.463 2.222 20 10 GECDMM CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000281225488 646755736 /nfs/dbraw/zinc/75/57/36/646755736.db2.gz OVVHVIWCRYWWMG-UHFFFAOYSA-N -1 1 395.257 2.267 20 10 GECDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000288337117 646913208 /nfs/dbraw/zinc/91/32/08/646913208.db2.gz FIASGOMAKOVMCM-UHFFFAOYSA-N -1 1 383.447 2.400 20 10 GECDMM O=S(=O)(CCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000292581011 647200537 /nfs/dbraw/zinc/20/05/37/647200537.db2.gz ZYTZCARUYYVXNO-UHFFFAOYSA-N -1 1 378.288 2.391 20 10 GECDMM COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000326783761 647305145 /nfs/dbraw/zinc/30/51/45/647305145.db2.gz VBIPKSXRCUSVID-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM COCCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000750045571 652279561 /nfs/dbraw/zinc/27/95/61/652279561.db2.gz UDRQLPSOZUHEOG-HNNXBMFYSA-N -1 1 389.901 2.274 20 10 GECDMM O=C(NCCCN1CCCCC1=O)NCc1cccc(Br)c1[O-] ZINC000764780453 652812187 /nfs/dbraw/zinc/81/21/87/652812187.db2.gz QRBKDHIXFDKZNS-UHFFFAOYSA-N -1 1 384.274 2.357 20 10 GECDMM Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765729055 652850417 /nfs/dbraw/zinc/85/04/17/652850417.db2.gz YDUBWGNQUWZDMD-UHFFFAOYSA-N -1 1 390.241 2.312 20 10 GECDMM O=C(CN1C(=O)COc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765756860 652852667 /nfs/dbraw/zinc/85/26/67/652852667.db2.gz NEYUFXTVQLMRCZ-UHFFFAOYSA-N -1 1 391.221 2.197 20 10 GECDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000775286374 653307876 /nfs/dbraw/zinc/30/78/76/653307876.db2.gz FUSJJSKJWQTUMW-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM CN(Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000775744472 653328836 /nfs/dbraw/zinc/32/88/36/653328836.db2.gz MPIPAARSXAXNEX-JTQLQIEISA-N -1 1 378.064 2.238 20 10 GECDMM CNS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1 ZINC000810192991 653330272 /nfs/dbraw/zinc/33/02/72/653330272.db2.gz BXEQFRJBUSZVOW-MDWZMJQESA-N -1 1 380.472 2.344 20 10 GECDMM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744470 653375619 /nfs/dbraw/zinc/37/56/19/653375619.db2.gz JMEXWICJVMEUTG-UHFFFAOYSA-N -1 1 375.855 2.391 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@]1(C2CCCC2)CCNC1=O ZINC000861332840 653655032 /nfs/dbraw/zinc/65/50/32/653655032.db2.gz YYCKNZXIUSYOQY-KRWDZBQOSA-N -1 1 381.270 2.467 20 10 GECDMM O=C(COC(=O)[C@@H](O)c1ccc(Br)cc1)c1ccc([O-])c(O)c1 ZINC000783683753 653682883 /nfs/dbraw/zinc/68/28/83/653682883.db2.gz TVKDIUJOHRPJCU-HNNXBMFYSA-N -1 1 381.178 2.320 20 10 GECDMM CS(=O)(=O)c1cccc(Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543775 653696683 /nfs/dbraw/zinc/69/66/83/653696683.db2.gz ILNRNICSLKVKDB-UHFFFAOYSA-N -1 1 384.793 2.194 20 10 GECDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000792702619 653850124 /nfs/dbraw/zinc/85/01/24/653850124.db2.gz BGXJBIJOXKZKEY-UHFFFAOYSA-N -1 1 387.504 2.460 20 10 GECDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)n1cc(Br)cn1 ZINC000830663741 654133554 /nfs/dbraw/zinc/13/35/54/654133554.db2.gz AZCUHJXESJTOCV-VIFPVBQESA-N -1 1 383.198 2.434 20 10 GECDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)sc1C ZINC000851843754 654189896 /nfs/dbraw/zinc/18/98/96/654189896.db2.gz IFWGAZMRLVQSPQ-UHFFFAOYSA-N -1 1 381.523 2.200 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2Cl)C(=O)[N-]C1=S ZINC000920976110 654231362 /nfs/dbraw/zinc/23/13/62/654231362.db2.gz PKQFLTKKNOJAJF-UXBLZVDNSA-N -1 1 382.829 2.443 20 10 GECDMM COC(=O)c1cn([C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)nn1 ZINC000894467230 654478485 /nfs/dbraw/zinc/47/84/85/654478485.db2.gz ZCCZOFRJSVOBLC-NSHDSACASA-N -1 1 399.220 2.119 20 10 GECDMM Cn1nc(C2CC2)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000907154480 654515581 /nfs/dbraw/zinc/51/55/81/654515581.db2.gz AUQBTUXJMGCUPT-UHFFFAOYSA-N -1 1 386.271 2.244 20 10 GECDMM Cn1nnc(C(=O)NCc2cccc(Br)c2[O-])c1C(F)(F)F ZINC000907758650 654575333 /nfs/dbraw/zinc/57/53/33/654575333.db2.gz RNHWMGZPULONPS-UHFFFAOYSA-N -1 1 379.136 2.232 20 10 GECDMM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000935662556 654909334 /nfs/dbraw/zinc/90/93/34/654909334.db2.gz HDTFZNJFICYTRV-AWEZNQCLSA-N -1 1 393.241 2.006 20 10 GECDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000267518172 532743997 /nfs/dbraw/zinc/74/39/97/532743997.db2.gz WDXVUTGXOBGJFC-UHFFFAOYSA-N -1 1 380.491 2.031 20 10 GECDMM Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000291876222 532910037 /nfs/dbraw/zinc/91/00/37/532910037.db2.gz VJGMBEIDPPCBID-UHFFFAOYSA-N -1 1 393.241 2.021 20 10 GECDMM COc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc([N+](=O)[O-])c1O ZINC000098038507 208365573 /nfs/dbraw/zinc/36/55/73/208365573.db2.gz SFCADGYTKBOQTN-YRNVUSSQSA-N -1 1 398.418 2.375 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3C(=O)[O-])cc2F)CC1 ZINC000739456104 602753171 /nfs/dbraw/zinc/75/31/71/602753171.db2.gz LXGKUBOSUDCSIS-GOSISDBHSA-N -1 1 392.475 2.116 20 10 GECDMM O=C([O-])N1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000831591685 605522584 /nfs/dbraw/zinc/52/25/84/605522584.db2.gz MDGHWPQNUTYRFA-DOMZBBRYSA-N -1 1 381.860 2.126 20 10 GECDMM CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2O)c1-c1nn[n-]n1 ZINC000821989848 607228079 /nfs/dbraw/zinc/22/80/79/607228079.db2.gz MBZBZUOBPXYJKG-UHFFFAOYSA-N -1 1 382.449 2.497 20 10 GECDMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)c1Cl ZINC000056101884 642791723 /nfs/dbraw/zinc/79/17/23/642791723.db2.gz TZLJHZJMFZIBFM-UHFFFAOYSA-N -1 1 386.930 2.105 20 10 GECDMM Cc1cc(C(=O)NN2CC(=O)[N-]C2=O)c(C)n1-c1cccc(Br)c1 ZINC000110225700 643308381 /nfs/dbraw/zinc/30/83/81/643308381.db2.gz RGOYWXKWJAEBLK-UHFFFAOYSA-N -1 1 391.225 2.053 20 10 GECDMM CCCCn1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277468917 646426456 /nfs/dbraw/zinc/42/64/56/646426456.db2.gz JPVHOZRJRUEDIX-UHFFFAOYSA-N -1 1 395.257 2.406 20 10 GECDMM CC(C)CS(=O)(=O)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277601415 646449052 /nfs/dbraw/zinc/44/90/52/646449052.db2.gz UIBLKWJTHMCPMM-UHFFFAOYSA-N -1 1 378.288 2.232 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000277656611 646459326 /nfs/dbraw/zinc/45/93/26/646459326.db2.gz ZMJBCIZWTYKDBP-ZDUSSCGKSA-N -1 1 381.270 2.420 20 10 GECDMM O=C(CS(=O)(=O)C1CCCC1)NCc1cccc(Br)c1[O-] ZINC000277659842 646459896 /nfs/dbraw/zinc/45/98/96/646459896.db2.gz ZWQSSYMHZCWKAP-UHFFFAOYSA-N -1 1 376.272 2.128 20 10 GECDMM NC(=O)c1cccc(CCNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764767592 652811642 /nfs/dbraw/zinc/81/16/42/652811642.db2.gz DDILHNARPODGFW-UHFFFAOYSA-N -1 1 392.253 2.296 20 10 GECDMM COc1cccc(C[C@@H](O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765730502 652850527 /nfs/dbraw/zinc/85/05/27/652850527.db2.gz CENYVKJQFSQFOF-OAHLLOKOSA-N -1 1 380.238 2.383 20 10 GECDMM CNC(=O)c1cncc(/C=C/C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765732633 652850547 /nfs/dbraw/zinc/85/05/47/652850547.db2.gz RDHQQBJLWNOFCG-AATRIKPKSA-N -1 1 390.237 2.239 20 10 GECDMM COc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765746525 652851940 /nfs/dbraw/zinc/85/19/40/652851940.db2.gz HFOSQQXEHXKYDA-UHFFFAOYSA-N -1 1 379.210 2.418 20 10 GECDMM O=C(CNC(=O)Cc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765754127 652852289 /nfs/dbraw/zinc/85/22/89/652852289.db2.gz RMTIJPCTFGJKFY-UHFFFAOYSA-N -1 1 395.228 2.269 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000836692952 653370254 /nfs/dbraw/zinc/37/02/54/653370254.db2.gz YFIFHLCBBWXCOJ-DGCLKSJQSA-N -1 1 382.258 2.107 20 10 GECDMM Cn1cc(CNCc2cc(Br)cc(Br)c2[O-])nn1 ZINC000783602831 653681209 /nfs/dbraw/zinc/68/12/09/653681209.db2.gz QHGPLABHWKIYAB-UHFFFAOYSA-N -1 1 376.052 2.336 20 10 GECDMM CN(CC(N)=O)C(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000790638309 653794675 /nfs/dbraw/zinc/79/46/75/653794675.db2.gz ZBBYIPVIODQIOA-UHFFFAOYSA-N -1 1 392.253 2.324 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC12CCOCC2 ZINC000898780677 653985459 /nfs/dbraw/zinc/98/54/59/653985459.db2.gz AVZKKORQPYOQGV-ZDUSSCGKSA-N -1 1 385.258 2.292 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000892258796 654336905 /nfs/dbraw/zinc/33/69/05/654336905.db2.gz IYVYUEGUNQJTMZ-KRWDZBQOSA-N -1 1 385.917 2.053 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@]1(N2CCOCC2)CCSC1 ZINC000892258797 654337006 /nfs/dbraw/zinc/33/70/06/654337006.db2.gz IYVYUEGUNQJTMZ-QGZVFWFLSA-N -1 1 385.917 2.053 20 10 GECDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000894859018 654502768 /nfs/dbraw/zinc/50/27/68/654502768.db2.gz BOJHRWPFOSLRSK-ZDUSSCGKSA-N -1 1 385.237 2.215 20 10 GECDMM CN(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1O ZINC000737394254 600312664 /nfs/dbraw/zinc/31/26/64/600312664.db2.gz VHCOJUORGHCABX-GOSISDBHSA-N -1 1 381.432 2.117 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829780325 600939211 /nfs/dbraw/zinc/93/92/11/600939211.db2.gz FPFWFYCMDUKRRF-IAGOWNOFSA-N -1 1 391.487 2.475 20 10 GECDMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000739006974 602273131 /nfs/dbraw/zinc/27/31/31/602273131.db2.gz GUOSJSYHRGWKEJ-YJBOKZPZSA-N -1 1 376.501 2.222 20 10 GECDMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000739006965 602273371 /nfs/dbraw/zinc/27/33/71/602273371.db2.gz GUOSJSYHRGWKEJ-CRAIPNDOSA-N -1 1 376.501 2.222 20 10 GECDMM CN(C)c1ccc(CN(C)C(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739659338 602380958 /nfs/dbraw/zinc/38/09/58/602380958.db2.gz IXVSRPNDJPBLBU-UHFFFAOYSA-N -1 1 376.501 2.033 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000827226869 603581019 /nfs/dbraw/zinc/58/10/19/603581019.db2.gz AGOQNDJKVSGACR-JKSUJKDBSA-N -1 1 392.475 2.020 20 10 GECDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821611239 606157201 /nfs/dbraw/zinc/15/72/01/606157201.db2.gz WZYDCFMBPZEHCH-UHFFFAOYSA-N -1 1 395.471 2.254 20 10 GECDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821611239 606157203 /nfs/dbraw/zinc/15/72/03/606157203.db2.gz WZYDCFMBPZEHCH-UHFFFAOYSA-N -1 1 395.471 2.254 20 10 GECDMM CCc1nn(C)c(OC)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277332300 646403876 /nfs/dbraw/zinc/40/38/76/646403876.db2.gz FCYXOKFHXQVRFB-UHFFFAOYSA-N -1 1 397.273 2.459 20 10 GECDMM CCCCCS(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277644995 646456788 /nfs/dbraw/zinc/45/67/88/646456788.db2.gz YJHPOOYFWVHCBH-UHFFFAOYSA-N -1 1 378.288 2.376 20 10 GECDMM C[S@@](=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000281565447 646782904 /nfs/dbraw/zinc/78/29/04/646782904.db2.gz OGPRRIFCUBJJHC-OAQYLSRUSA-N -1 1 375.288 2.255 20 10 GECDMM CC(C)[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nncn1C ZINC000286891621 646878347 /nfs/dbraw/zinc/87/83/47/646878347.db2.gz LFRNSOQNJXVKGU-GFCCVEGCSA-N -1 1 382.262 2.480 20 10 GECDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000734417892 651745159 /nfs/dbraw/zinc/74/51/59/651745159.db2.gz DBCSYEFHAHPVMF-UHFFFAOYSA-N -1 1 385.423 2.076 20 10 GECDMM C[S@](=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000762121675 652674399 /nfs/dbraw/zinc/67/43/99/652674399.db2.gz OWOAQBLGRXIZDL-DEOSSOPVSA-N -1 1 399.475 2.183 20 10 GECDMM O=C(NCCNC(=O)c1cccs1)NCc1cccc(Br)c1[O-] ZINC000764762527 652811292 /nfs/dbraw/zinc/81/12/92/652811292.db2.gz HHEGEPMQKAKXRK-UHFFFAOYSA-N -1 1 398.282 2.445 20 10 GECDMM NC(=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765449588 652840315 /nfs/dbraw/zinc/84/03/15/652840315.db2.gz HPFFONUUOFXSPU-UHFFFAOYSA-N -1 1 378.226 2.253 20 10 GECDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])n1nnnc1C(C)(C)C ZINC000765737190 652850507 /nfs/dbraw/zinc/85/05/07/652850507.db2.gz RXZARLNNZLCYBH-SECBINFHSA-N -1 1 382.262 2.316 20 10 GECDMM CS(=O)(=O)c1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765754255 652852359 /nfs/dbraw/zinc/85/23/59/652852359.db2.gz UCZWWKHINLUOGS-UHFFFAOYSA-N -1 1 384.251 2.488 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2nccn2c1 ZINC000765924761 652857517 /nfs/dbraw/zinc/85/75/17/652857517.db2.gz AULHYVKZDNPANE-UHFFFAOYSA-N -1 1 389.209 2.057 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(Cl)nc1 ZINC000765926635 652857888 /nfs/dbraw/zinc/85/78/88/652857888.db2.gz OEQFCPZVLOYHPS-UHFFFAOYSA-N -1 1 384.617 2.458 20 10 GECDMM CC(C)(C)n1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765927551 652857947 /nfs/dbraw/zinc/85/79/47/652857947.db2.gz SWTONOYVFNFQHH-UHFFFAOYSA-N -1 1 395.257 2.361 20 10 GECDMM Cn1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])nc1Cl ZINC000766179053 652870025 /nfs/dbraw/zinc/87/00/25/652870025.db2.gz IQQYFFHNCDMYAO-UHFFFAOYSA-N -1 1 380.651 2.020 20 10 GECDMM CSc1nnc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)s1 ZINC000771475718 653112371 /nfs/dbraw/zinc/11/23/71/653112371.db2.gz XONBOIQUCIOXHK-UHFFFAOYSA-N -1 1 385.452 2.054 20 10 GECDMM COC(=O)c1csc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000776494673 653351245 /nfs/dbraw/zinc/35/12/45/653351245.db2.gz LORMWRQLQFCEKZ-UHFFFAOYSA-N -1 1 384.435 2.173 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000879775141 653681666 /nfs/dbraw/zinc/68/16/66/653681666.db2.gz RBMUZSRCBJOMEE-CNDDSTCGSA-N -1 1 388.283 2.127 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCN(CC(F)F)C1 ZINC000841595206 653737730 /nfs/dbraw/zinc/73/77/30/653737730.db2.gz QOHUVBVBBHVOOI-SNVBAGLBSA-N -1 1 378.217 2.293 20 10 GECDMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702926 653850240 /nfs/dbraw/zinc/85/02/40/653850240.db2.gz JGMTTWPKDPNCIM-UHFFFAOYSA-N -1 1 383.447 2.467 20 10 GECDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)o1 ZINC000796190922 653990744 /nfs/dbraw/zinc/99/07/44/653990744.db2.gz MXUBDPNBOBLWEM-UHFFFAOYSA-N -1 1 390.211 2.013 20 10 GECDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1OCCO ZINC000798341562 654060329 /nfs/dbraw/zinc/06/03/29/654060329.db2.gz NFSWQIRETBVSKP-UHFFFAOYSA-N -1 1 396.237 2.464 20 10 GECDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(F)c1 ZINC000830149908 654101517 /nfs/dbraw/zinc/10/15/17/654101517.db2.gz BQVOYYDILFWOIL-UHFFFAOYSA-N -1 1 390.462 2.118 20 10 GECDMM CNC(=O)CNC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000800312539 654140476 /nfs/dbraw/zinc/14/04/76/654140476.db2.gz INEKZNFNLKADLI-UHFFFAOYSA-N -1 1 392.253 2.243 20 10 GECDMM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894581990 654488268 /nfs/dbraw/zinc/48/82/68/654488268.db2.gz QQWSNCYRMWKOTF-BXUZGUMPSA-N -1 1 392.265 2.140 20 10 GECDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000175684750 532112034 /nfs/dbraw/zinc/11/20/34/532112034.db2.gz JGYIWMIXBKYKAG-UHFFFAOYSA-N -1 1 380.491 2.031 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000736186290 599838037 /nfs/dbraw/zinc/83/80/37/599838037.db2.gz ZYMPKLCKGPABFP-IBGZPJMESA-N -1 1 390.480 2.256 20 10 GECDMM CCN(CC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1)C(=O)[O-] ZINC000827093438 603509835 /nfs/dbraw/zinc/50/98/35/603509835.db2.gz OXKVDAKYJLKFPQ-UHFFFAOYSA-N -1 1 390.528 2.423 20 10 GECDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnc2n1CCC2 ZINC000277424043 646417467 /nfs/dbraw/zinc/41/74/67/646417467.db2.gz LKHUWTPNOMGHCA-SECBINFHSA-N -1 1 380.246 2.253 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000277513259 646434106 /nfs/dbraw/zinc/43/41/06/646434106.db2.gz LBCICDKYZQPFLW-GFCCVEGCSA-N -1 1 393.237 2.413 20 10 GECDMM CCC(=O)N[C@@H](CCSC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277521140 646435432 /nfs/dbraw/zinc/43/54/32/646435432.db2.gz LUWKXERQNQXZHH-LBPRGKRZSA-N -1 1 389.315 2.419 20 10 GECDMM COc1ccc(N2CCC([N-]S(=O)(=O)c3ncn(C)c3Cl)CC2)cc1 ZINC000726602175 651498187 /nfs/dbraw/zinc/49/81/87/651498187.db2.gz SBGFLUZJDOCMBK-UHFFFAOYSA-N -1 1 384.889 2.029 20 10 GECDMM COCCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000750045574 652279968 /nfs/dbraw/zinc/27/99/68/652279968.db2.gz UDRQLPSOZUHEOG-OAHLLOKOSA-N -1 1 389.901 2.274 20 10 GECDMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(Br)o1 ZINC000751151762 652326590 /nfs/dbraw/zinc/32/65/90/652326590.db2.gz WPVWZKJXXVTCBS-UHFFFAOYSA-N -1 1 390.211 2.013 20 10 GECDMM COC(=O)N1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764771206 652811752 /nfs/dbraw/zinc/81/17/52/652811752.db2.gz UXBNTMJTEAQGDU-NSHDSACASA-N -1 1 386.246 2.185 20 10 GECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnnn1C1CC1 ZINC000764807430 652813224 /nfs/dbraw/zinc/81/32/24/652813224.db2.gz MQAUDRNMFVVKAX-QMMMGPOBSA-N -1 1 381.234 2.037 20 10 GECDMM O=C(Cc1csc(-c2nc[nH]n2)n1)NCc1cccc(Br)c1[O-] ZINC000765732905 652850390 /nfs/dbraw/zinc/85/03/90/652850390.db2.gz UNRQZXVLAPUNSG-UHFFFAOYSA-N -1 1 394.254 2.255 20 10 GECDMM COc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765927401 652858070 /nfs/dbraw/zinc/85/80/70/652858070.db2.gz QVYFKRFUMHYURK-UHFFFAOYSA-N -1 1 379.210 2.418 20 10 GECDMM Cn1c(Cl)ncc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201916 652871904 /nfs/dbraw/zinc/87/19/04/652871904.db2.gz XLUKBJZEGPDODZ-UHFFFAOYSA-N -1 1 380.651 2.020 20 10 GECDMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776434699 653349118 /nfs/dbraw/zinc/34/91/18/653349118.db2.gz KJEOYOFETIRBJT-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM CCO[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000859133933 653411491 /nfs/dbraw/zinc/41/14/91/653411491.db2.gz KENBNMCEHANDDU-CYBMUJFWSA-N -1 1 378.288 2.389 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@]1(C2CCCC2)CCNC1=O ZINC000861332841 653655083 /nfs/dbraw/zinc/65/50/83/653655083.db2.gz YYCKNZXIUSYOQY-QGZVFWFLSA-N -1 1 381.270 2.467 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1nc2c(s1)CCC2 ZINC000789783263 653781306 /nfs/dbraw/zinc/78/13/06/653781306.db2.gz SNHQBNONNILRIT-UHFFFAOYSA-N -1 1 396.266 2.355 20 10 GECDMM COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1 ZINC000822458069 653828696 /nfs/dbraw/zinc/82/86/96/653828696.db2.gz DKRUVJULKFQHGR-WCQYABFASA-N -1 1 386.242 2.272 20 10 GECDMM CS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000916616900 654102176 /nfs/dbraw/zinc/10/21/76/654102176.db2.gz UWYZRZPPAVGIKQ-UHFFFAOYSA-N -1 1 384.793 2.194 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc2c1OCO2 ZINC000800937012 654169852 /nfs/dbraw/zinc/16/98/52/654169852.db2.gz DCCYZPHFSVOITJ-UHFFFAOYSA-N -1 1 386.223 2.362 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000834476169 654328464 /nfs/dbraw/zinc/32/84/64/654328464.db2.gz QAGNILATNAUELB-DYEKYZERSA-N -1 1 381.270 2.466 20 10 GECDMM CN(C)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000805080181 654346847 /nfs/dbraw/zinc/34/68/47/654346847.db2.gz FLKXPNNNTFRQHW-UHFFFAOYSA-N -1 1 386.271 2.094 20 10 GECDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C2)cc1 ZINC000872503017 654358386 /nfs/dbraw/zinc/35/83/86/654358386.db2.gz DECDRECXXDRNKR-YEBMWUKDSA-N -1 1 389.543 2.005 20 10 GECDMM COCCCNC(=O)CN(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893913473 654431233 /nfs/dbraw/zinc/43/12/33/654431233.db2.gz SQLOSJBMFHXYBE-UHFFFAOYSA-N -1 1 379.682 2.393 20 10 GECDMM COCC(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893995578 654437333 /nfs/dbraw/zinc/43/73/33/654437333.db2.gz RGCHQLUHYFWMLM-UHFFFAOYSA-N -1 1 375.238 2.021 20 10 GECDMM COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894581991 654488396 /nfs/dbraw/zinc/48/83/96/654488396.db2.gz QQWSNCYRMWKOTF-FZMZJTMJSA-N -1 1 392.265 2.140 20 10 GECDMM N=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(C(=O)[O-])ccc2O)N1)OCCCO4 ZINC000739192636 599943092 /nfs/dbraw/zinc/94/30/92/599943092.db2.gz MZZLOHIRMIAYFV-MRXNPFEDSA-N -1 1 395.375 2.098 20 10 GECDMM O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834242099 605566138 /nfs/dbraw/zinc/56/61/38/605566138.db2.gz XGMMBUDTUYOYCG-SNVBAGLBSA-N -1 1 390.267 2.295 20 10 GECDMM O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834242098 605566197 /nfs/dbraw/zinc/56/61/97/605566197.db2.gz XGMMBUDTUYOYCG-JTQLQIEISA-N -1 1 390.267 2.295 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@@H](C)O1 ZINC000824991790 608401542 /nfs/dbraw/zinc/40/15/42/608401542.db2.gz HEADFXSLQMYNQR-VXGBXAGGSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@@H](C)O1 ZINC000824991790 608401544 /nfs/dbraw/zinc/40/15/44/608401544.db2.gz HEADFXSLQMYNQR-VXGBXAGGSA-N -1 1 384.419 2.022 20 10 GECDMM CCNC(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277383252 646410765 /nfs/dbraw/zinc/41/07/65/646410765.db2.gz IJSOKZPGCIBWHY-UHFFFAOYSA-N -1 1 384.274 2.260 20 10 GECDMM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277422594 646417426 /nfs/dbraw/zinc/41/74/26/646417426.db2.gz CZXHWEQDLSXZTH-QMMMGPOBSA-N -1 1 398.286 2.273 20 10 GECDMM COC(=O)CCCCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277430341 646418415 /nfs/dbraw/zinc/41/84/15/646418415.db2.gz CFDSKUGVOUFYCW-UHFFFAOYSA-N -1 1 394.287 2.308 20 10 GECDMM CCCc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000277450887 646422877 /nfs/dbraw/zinc/42/28/77/646422877.db2.gz HWIKJRXYSKBLHE-UHFFFAOYSA-N -1 1 395.257 2.096 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COCCN1C1CCCC1 ZINC000282044498 646812735 /nfs/dbraw/zinc/81/27/35/646812735.db2.gz YSJHFDYDUIMQEF-HNNXBMFYSA-N -1 1 383.286 2.414 20 10 GECDMM COc1cccc(C(=O)NCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727350 652850219 /nfs/dbraw/zinc/85/02/19/652850219.db2.gz MQNBGJFWKRHODQ-UHFFFAOYSA-N -1 1 393.237 2.210 20 10 GECDMM O=C(NCc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765756312 652852763 /nfs/dbraw/zinc/85/27/63/652852763.db2.gz MKAUVGABTLNXCA-UHFFFAOYSA-N -1 1 381.201 2.226 20 10 GECDMM CN(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1ncnc2[nH]cnc21 ZINC000807835959 653206517 /nfs/dbraw/zinc/20/65/17/653206517.db2.gz NVHVYVNOAUHJPU-UHFFFAOYSA-N -1 1 381.223 2.118 20 10 GECDMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C2 ZINC000876131049 653404840 /nfs/dbraw/zinc/40/48/40/653404840.db2.gz KPBFVOPTBKWOEA-GDLVEWKHSA-N -1 1 383.242 2.296 20 10 GECDMM NC(=O)CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000814255594 653625601 /nfs/dbraw/zinc/62/56/01/653625601.db2.gz VYFWGJJXEMMLQR-UHFFFAOYSA-N -1 1 392.253 2.372 20 10 GECDMM Cn1cc(S(=O)(=O)[N-]CCCSc2nccs2)c(C(F)(F)F)n1 ZINC000815012781 653643419 /nfs/dbraw/zinc/64/34/19/653643419.db2.gz MKTUHTMLLXXYQA-UHFFFAOYSA-N -1 1 386.446 2.356 20 10 GECDMM NC(=O)CCSc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000821172605 653792156 /nfs/dbraw/zinc/79/21/56/653792156.db2.gz DKANGCWMVOUVBV-UHFFFAOYSA-N -1 1 388.417 2.439 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000920976683 654231423 /nfs/dbraw/zinc/23/14/23/654231423.db2.gz OJVBUXLCCWGIML-UXBLZVDNSA-N -1 1 382.829 2.443 20 10 GECDMM Cn1ccnc1[C@@](O)(CC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890757930 654241255 /nfs/dbraw/zinc/24/12/55/654241255.db2.gz NIKJEQSWXOHVNH-AWEZNQCLSA-N -1 1 377.750 2.236 20 10 GECDMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000736281302 599030787 /nfs/dbraw/zinc/03/07/87/599030787.db2.gz VAEMEQBMTQPQKU-UHFFFAOYSA-N -1 1 377.452 2.428 20 10 GECDMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000736281302 599030789 /nfs/dbraw/zinc/03/07/89/599030789.db2.gz VAEMEQBMTQPQKU-UHFFFAOYSA-N -1 1 377.452 2.428 20 10 GECDMM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736820550 598571002 /nfs/dbraw/zinc/57/10/02/598571002.db2.gz XXWYIRLHVRCRCN-UHFFFAOYSA-N -1 1 385.859 2.388 20 10 GECDMM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736820550 598571003 /nfs/dbraw/zinc/57/10/03/598571003.db2.gz XXWYIRLHVRCRCN-UHFFFAOYSA-N -1 1 385.859 2.388 20 10 GECDMM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c(OC)c1 ZINC000826209229 607753965 /nfs/dbraw/zinc/75/39/65/607753965.db2.gz SFIMLAFXXDRXDI-UHFFFAOYSA-N -1 1 386.412 2.169 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826369888 608426442 /nfs/dbraw/zinc/42/64/42/608426442.db2.gz UYRRXZRFHBGDDB-LLVKDONJSA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826369888 608426443 /nfs/dbraw/zinc/42/64/43/608426443.db2.gz UYRRXZRFHBGDDB-LLVKDONJSA-N -1 1 388.382 2.339 20 10 GECDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000826257094 608890375 /nfs/dbraw/zinc/89/03/75/608890375.db2.gz NCCFZEBNCUVVNP-UHFFFAOYSA-N -1 1 391.391 2.082 20 10 GECDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000826257094 608890377 /nfs/dbraw/zinc/89/03/77/608890377.db2.gz NCCFZEBNCUVVNP-UHFFFAOYSA-N -1 1 391.391 2.082 20 10 GECDMM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277451585 646422921 /nfs/dbraw/zinc/42/29/21/646422921.db2.gz GEFWSLGVNXBUQE-ZDUSSCGKSA-N -1 1 384.274 2.353 20 10 GECDMM CC(C)(C)S(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277585124 646446689 /nfs/dbraw/zinc/44/66/89/646446689.db2.gz SWCKJIRYLPIDHI-UHFFFAOYSA-N -1 1 393.303 2.167 20 10 GECDMM COCCOCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764768258 652811832 /nfs/dbraw/zinc/81/18/32/652811832.db2.gz HGOWEZPOWAZBKH-UHFFFAOYSA-N -1 1 375.263 2.397 20 10 GECDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])n1nnnc1C(C)(C)C ZINC000765737193 652850558 /nfs/dbraw/zinc/85/05/58/652850558.db2.gz RXZARLNNZLCYBH-VIFPVBQESA-N -1 1 382.262 2.316 20 10 GECDMM O=C(CNC(=O)Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765753608 652852371 /nfs/dbraw/zinc/85/23/71/652852371.db2.gz OLVCDMSVSZKWOD-UHFFFAOYSA-N -1 1 377.238 2.130 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1sccc1-n1cnnn1 ZINC000765753749 652852396 /nfs/dbraw/zinc/85/23/96/652852396.db2.gz PSMTVLALQXTLAI-UHFFFAOYSA-N -1 1 380.227 2.122 20 10 GECDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])n1cc([N+](=O)[O-])cn1 ZINC000765755104 652852415 /nfs/dbraw/zinc/85/24/15/652852415.db2.gz ZQODEMWWEXJVFU-UHFFFAOYSA-N -1 1 383.202 2.311 20 10 GECDMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2O)o1 ZINC000766199802 652871337 /nfs/dbraw/zinc/87/13/37/652871337.db2.gz JACUHEFCBRPZKI-UHFFFAOYSA-N -1 1 390.211 2.013 20 10 GECDMM O=C1OCc2ccc(S(=O)(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000766199776 652871495 /nfs/dbraw/zinc/87/14/95/652871495.db2.gz IENZOUHXKANHEH-UHFFFAOYSA-N -1 1 398.234 2.304 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Br)nc2)c1 ZINC000770027728 653195439 /nfs/dbraw/zinc/19/54/39/653195439.db2.gz XJYWJTZYSBRXDI-UHFFFAOYSA-N -1 1 386.227 2.174 20 10 GECDMM CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000775744473 653328494 /nfs/dbraw/zinc/32/84/94/653328494.db2.gz MPIPAARSXAXNEX-SNVBAGLBSA-N -1 1 378.064 2.238 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000859046220 653396913 /nfs/dbraw/zinc/39/69/13/653396913.db2.gz ZFGDYQOXYSNKGW-CYBMUJFWSA-N -1 1 382.258 2.107 20 10 GECDMM Cc1nc(CN2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)no1 ZINC000781914471 653651770 /nfs/dbraw/zinc/65/17/70/653651770.db2.gz XSLRGOWEFRSPGL-UHFFFAOYSA-N -1 1 381.274 2.472 20 10 GECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1OC ZINC000795303030 653944093 /nfs/dbraw/zinc/94/40/93/653944093.db2.gz DGQZDKKKWCDECJ-UHFFFAOYSA-N -1 1 376.481 2.319 20 10 GECDMM COC(=O)[C@](C)(Cn1cccn1)NCc1cc(C)cc(Br)c1[O-] ZINC000898339612 653963807 /nfs/dbraw/zinc/96/38/07/653963807.db2.gz HKKQWSNRWRUFLV-INIZCTEOSA-N -1 1 382.258 2.381 20 10 GECDMM O=S(=O)(CCC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000827523844 653996272 /nfs/dbraw/zinc/99/62/72/653996272.db2.gz SVJMFLBOAKUVBG-NSHDSACASA-N -1 1 378.288 2.391 20 10 GECDMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1cccc(Cl)c1[O-] ZINC000890757910 654241240 /nfs/dbraw/zinc/24/12/40/654241240.db2.gz NAPBOLHVGHXNHK-KCQAQPDRSA-N -1 1 383.901 2.388 20 10 GECDMM [O-]C1=[NH+]CCN1CCn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000922587832 654401840 /nfs/dbraw/zinc/40/18/40/654401840.db2.gz KUKGFMGFSRWKGR-UHFFFAOYSA-N -1 1 398.236 2.128 20 10 GECDMM CS(=O)(=O)NCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894742047 654496500 /nfs/dbraw/zinc/49/65/00/654496500.db2.gz VCECZHWSOXTVEZ-UHFFFAOYSA-N -1 1 395.294 2.055 20 10 GECDMM Cc1cc(C(=O)CN2CCO[C@@H](CN(C)C)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859533 601595316 /nfs/dbraw/zinc/59/53/16/601595316.db2.gz QNRNASMRARAHHE-IBGZPJMESA-N -1 1 399.491 2.237 20 10 GECDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000825879669 607580162 /nfs/dbraw/zinc/58/01/62/607580162.db2.gz NOJBGZSRWRHLOB-UHFFFAOYSA-N -1 1 392.872 2.065 20 10 GECDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000825879669 607580164 /nfs/dbraw/zinc/58/01/64/607580164.db2.gz NOJBGZSRWRHLOB-UHFFFAOYSA-N -1 1 392.872 2.065 20 10 GECDMM O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000834116010 605990539 /nfs/dbraw/zinc/99/05/39/605990539.db2.gz PAAIWEPKWWJCAJ-AWEZNQCLSA-N -1 1 381.860 2.080 20 10 GECDMM CCN(Cc1cc(Br)ccc1O)c1ccc(-c2nnn[n-]2)nn1 ZINC000825428190 608433861 /nfs/dbraw/zinc/43/38/61/608433861.db2.gz FETFITRPBAAERU-UHFFFAOYSA-N -1 1 376.218 2.151 20 10 GECDMM CCN(Cc1cc(Br)ccc1O)c1ccc(-c2nn[n-]n2)nn1 ZINC000825428190 608433863 /nfs/dbraw/zinc/43/38/63/608433863.db2.gz FETFITRPBAAERU-UHFFFAOYSA-N -1 1 376.218 2.151 20 10 GECDMM CN(CCNC(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000277369877 646408765 /nfs/dbraw/zinc/40/87/65/646408765.db2.gz HNGINOIOKOOSQQ-UHFFFAOYSA-N -1 1 384.196 2.448 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000277578153 646445359 /nfs/dbraw/zinc/44/53/59/646445359.db2.gz RHVWWUOSIVYOAO-PSASIEDQSA-N -1 1 395.175 2.228 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1[O-] ZINC000287967366 646903727 /nfs/dbraw/zinc/90/37/27/646903727.db2.gz ZBXHYSBJKCKWSH-CPJLOUKISA-N -1 1 381.885 2.287 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000374825174 647828072 /nfs/dbraw/zinc/82/80/72/647828072.db2.gz CENDBCMFNDUJRM-UHFFFAOYSA-N -1 1 386.901 2.248 20 10 GECDMM CCc1nc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cs1 ZINC000761846172 652659617 /nfs/dbraw/zinc/65/96/17/652659617.db2.gz CTWYEIDXVUKVBM-UHFFFAOYSA-N -1 1 380.451 2.423 20 10 GECDMM CNC(=O)C1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764766877 652811660 /nfs/dbraw/zinc/81/16/60/652811660.db2.gz KCXVGWCAGSGHTA-UHFFFAOYSA-N -1 1 384.274 2.259 20 10 GECDMM NC(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765726374 652850159 /nfs/dbraw/zinc/85/01/59/652850159.db2.gz GNIAWJXOJRKHJX-UHFFFAOYSA-N -1 1 378.226 2.253 20 10 GECDMM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765726057 652850258 /nfs/dbraw/zinc/85/02/58/652850258.db2.gz FBZQCXZXYBNXFZ-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM Cn1nc(C(=O)NCc2cccc(Br)c2[O-])cc1OC(F)F ZINC000765731710 652850424 /nfs/dbraw/zinc/85/04/24/652850424.db2.gz KQCQMJNZOLYTJX-UHFFFAOYSA-N -1 1 376.157 2.420 20 10 GECDMM O=C(Cn1nnc(-c2ccccc2)n1)NCc1cccc(Br)c1[O-] ZINC000765752049 652852339 /nfs/dbraw/zinc/85/23/39/652852339.db2.gz DYNWJSKTJKYGHU-UHFFFAOYSA-N -1 1 388.225 2.125 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2sccn2c1=O ZINC000765751512 652852379 /nfs/dbraw/zinc/85/23/79/652852379.db2.gz FHYMYELINRZDIO-UHFFFAOYSA-N -1 1 380.223 2.154 20 10 GECDMM O=C(Cn1cnc2ccccc2c1=O)NCc1cccc(Br)c1[O-] ZINC000765751771 652852424 /nfs/dbraw/zinc/85/24/24/652852424.db2.gz JSZASFOCKFNXSL-UHFFFAOYSA-N -1 1 388.221 2.181 20 10 GECDMM Cc1csc2ncc(C(=O)NCc3cccc(Br)c3[O-])c(=O)n12 ZINC000765758555 652852726 /nfs/dbraw/zinc/85/27/26/652852726.db2.gz YWKQRFTYXYBQKK-UHFFFAOYSA-N -1 1 394.250 2.463 20 10 GECDMM O=S(=O)(NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)C1CC1 ZINC000809785571 653295973 /nfs/dbraw/zinc/29/59/73/653295973.db2.gz YNFFTRCMAZWGOA-NSHDSACASA-N -1 1 376.881 2.479 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cn2cccn2)on1 ZINC000816496500 653685947 /nfs/dbraw/zinc/68/59/47/653685947.db2.gz MFPQOSVFXKHNIJ-UHFFFAOYSA-N -1 1 377.198 2.318 20 10 GECDMM O=C(COC(=O)c1cccnc1I)c1ccc([O-])c(O)c1 ZINC000784684486 653698015 /nfs/dbraw/zinc/69/80/15/653698015.db2.gz KJVHIDRALZGZFC-UHFFFAOYSA-N -1 1 399.140 2.137 20 10 GECDMM CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1c([O-])c(O)ccc1F ZINC000789973531 653783557 /nfs/dbraw/zinc/78/35/57/653783557.db2.gz HOXUFPNVIULGHT-UHFFFAOYSA-N -1 1 398.188 2.105 20 10 GECDMM CO[C@H]1CCn2cc(C(=O)NCc3cccc(Br)c3[O-])nc2C1 ZINC000867830829 653994769 /nfs/dbraw/zinc/99/47/69/653994769.db2.gz JQCCGDIGMFPVDM-NSHDSACASA-N -1 1 380.242 2.242 20 10 GECDMM O=C(CSc1nnnn1CC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890760679 654241638 /nfs/dbraw/zinc/24/16/38/654241638.db2.gz VXGVPNGZSVXYMB-UHFFFAOYSA-N -1 1 381.767 2.003 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000893776742 654421252 /nfs/dbraw/zinc/42/12/52/654421252.db2.gz YIIRHIHTMMZKMH-NSHDSACASA-N -1 1 379.766 2.398 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000894809793 654500315 /nfs/dbraw/zinc/50/03/15/654500315.db2.gz ALOPIXABWLJDKU-GFCCVEGCSA-N -1 1 381.782 2.108 20 10 GECDMM O=C(NCc1noc2c1COCC2)NCc1cccc(Br)c1[O-] ZINC000927882103 654619442 /nfs/dbraw/zinc/61/94/42/654619442.db2.gz GJRUBVYZBOMYPC-UHFFFAOYSA-N -1 1 382.214 2.215 20 10 GECDMM CN(C)C(=O)CN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000179589115 532237117 /nfs/dbraw/zinc/23/71/17/532237117.db2.gz FBIQAHLWRJMELV-UHFFFAOYSA-N -1 1 380.080 2.437 20 10 GECDMM C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054886 532339652 /nfs/dbraw/zinc/33/96/52/532339652.db2.gz BVRCPNVIBQWXEX-HZMBPMFUSA-N -1 1 379.258 2.344 20 10 GECDMM NS(=O)(=O)CCCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000299130022 532697048 /nfs/dbraw/zinc/69/70/48/532697048.db2.gz XKTHTERUZCGDNN-UHFFFAOYSA-N -1 1 393.303 2.010 20 10 GECDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000288284626 532823234 /nfs/dbraw/zinc/82/32/34/532823234.db2.gz RLLBVDKKRHHFGU-UHFFFAOYSA-N -1 1 385.463 2.385 20 10 GECDMM CC[C@@H]1CN(CCn2cccn2)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736942280 600226482 /nfs/dbraw/zinc/22/64/82/600226482.db2.gz APMAGLDNNIDBJI-QQOXCAACSA-N -1 1 399.451 2.490 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829780324 600939249 /nfs/dbraw/zinc/93/92/49/600939249.db2.gz FPFWFYCMDUKRRF-DLBZAZTESA-N -1 1 391.487 2.475 20 10 GECDMM CN(C)c1ccc([C@@H](CNC(=O)Cc2[nH]nc3ccccc32)NC(=O)[O-])cc1 ZINC000828064029 603034296 /nfs/dbraw/zinc/03/42/96/603034296.db2.gz LDPCSGXGGJSKLY-GOSISDBHSA-N -1 1 381.436 2.297 20 10 GECDMM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826705272 604914710 /nfs/dbraw/zinc/91/47/10/604914710.db2.gz MIJXNIKLBBSGLU-ZBFHGGJFSA-N -1 1 383.876 2.418 20 10 GECDMM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093320965 643076470 /nfs/dbraw/zinc/07/64/70/643076470.db2.gz JYTLEBMIBJLORW-UHFFFAOYSA-N -1 1 391.877 2.200 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnn(CC(F)F)c1 ZINC000277553357 646440499 /nfs/dbraw/zinc/44/04/99/646440499.db2.gz ZEQVAVCTMRGAAH-UHFFFAOYSA-N -1 1 396.213 2.095 20 10 GECDMM C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(Br)c1[O-])CS2 ZINC000277564135 646442314 /nfs/dbraw/zinc/44/23/14/646442314.db2.gz PRPTXGSIQRNVGT-XHDPSFHLSA-N -1 1 385.283 2.225 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000278939657 646564973 /nfs/dbraw/zinc/56/49/73/646564973.db2.gz UJXXHOVPQZDMBI-HNNXBMFYSA-N -1 1 386.901 2.248 20 10 GECDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000755985331 652483775 /nfs/dbraw/zinc/48/37/75/652483775.db2.gz YEISJXAXFXIHLB-UHFFFAOYSA-N -1 1 384.479 2.272 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc2c1OCO2 ZINC000765903210 652856982 /nfs/dbraw/zinc/85/69/82/652856982.db2.gz HSPRLQNKQROJQS-UHFFFAOYSA-N -1 1 393.193 2.138 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2c(c1)COC2 ZINC000765926335 652857483 /nfs/dbraw/zinc/85/74/83/652857483.db2.gz LWYZLVXGHJHVQG-UHFFFAOYSA-N -1 1 391.221 2.440 20 10 GECDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000917753567 654133474 /nfs/dbraw/zinc/13/34/74/654133474.db2.gz NEFGUERQEDFMJE-UHFFFAOYSA-N -1 1 385.423 2.157 20 10 GECDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000872486672 654353496 /nfs/dbraw/zinc/35/34/96/654353496.db2.gz FMEBDISEVCTOSN-HXUWFJFHSA-N -1 1 399.332 2.385 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]c1=O)CCOC2 ZINC000907758662 654575350 /nfs/dbraw/zinc/57/53/50/654575350.db2.gz RSMWJZYMAKZQNR-UHFFFAOYSA-N -1 1 379.210 2.258 20 10 GECDMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000274830437 532857419 /nfs/dbraw/zinc/85/74/19/532857419.db2.gz UDPCDWYHSIBHNM-UHFFFAOYSA-N -1 1 384.479 2.026 20 10 GECDMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000737682314 600312939 /nfs/dbraw/zinc/31/29/39/600312939.db2.gz LJCYRDYKLXBCAT-GFCCVEGCSA-N -1 1 386.404 2.336 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2c(F)c(F)cc(F)c2F)C(=O)[N-]C1=S ZINC000060863740 642839139 /nfs/dbraw/zinc/83/91/39/642839139.db2.gz LWDPEWGCWLJIOM-DAXSKMNVSA-N -1 1 375.347 2.438 20 10 GECDMM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(Br)c1[O-] ZINC000127278914 643767838 /nfs/dbraw/zinc/76/78/38/643767838.db2.gz XXCFXNLVWBMMBW-UHFFFAOYSA-N -1 1 383.267 2.365 20 10 GECDMM NC(=O)CCNC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000130192348 643832459 /nfs/dbraw/zinc/83/24/59/643832459.db2.gz UOUFJZOOSGUWIX-UHFFFAOYSA-N -1 1 392.253 2.372 20 10 GECDMM CN(C)c1ccc(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])c1 ZINC000548200263 651067590 /nfs/dbraw/zinc/06/75/90/651067590.db2.gz KAWCMTWGPMUAEG-UHFFFAOYSA-N -1 1 378.435 2.256 20 10 GECDMM O=C(NCc1nc(C(F)(F)F)n[nH]1)NCc1cccc(Br)c1[O-] ZINC000765544265 652843514 /nfs/dbraw/zinc/84/35/14/652843514.db2.gz UJWLXUHZOILVSX-UHFFFAOYSA-N -1 1 394.151 2.291 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(c2cccnc2)=NO1 ZINC000765769319 652853355 /nfs/dbraw/zinc/85/33/55/652853355.db2.gz LLNNEEVBIGJHML-CQSZACIVSA-N -1 1 376.210 2.359 20 10 GECDMM O=C(Cn1cnc2sccc2c1=O)NCc1cccc(Br)c1[O-] ZINC000765771283 652853722 /nfs/dbraw/zinc/85/37/22/652853722.db2.gz ZDCGTKYQCQIZTQ-UHFFFAOYSA-N -1 1 394.250 2.243 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2c(c1)CCO2 ZINC000765925168 652857648 /nfs/dbraw/zinc/85/76/48/652857648.db2.gz DYDJSLFESLBXOT-UHFFFAOYSA-N -1 1 391.221 2.345 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccnn1CC1CC1 ZINC000765927458 652857873 /nfs/dbraw/zinc/85/78/73/652857873.db2.gz RZKVOLYRATUTQH-UHFFFAOYSA-N -1 1 393.241 2.016 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000765928155 652857932 /nfs/dbraw/zinc/85/79/32/652857932.db2.gz VMSZLFOSHIPULM-UHFFFAOYSA-N -1 1 394.181 2.318 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cnn(C(F)F)c1 ZINC000765927358 652858021 /nfs/dbraw/zinc/85/80/21/652858021.db2.gz QQYRQYHTDKPQJY-UHFFFAOYSA-N -1 1 389.156 2.001 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000773755899 653213021 /nfs/dbraw/zinc/21/30/21/653213021.db2.gz OHJXORZDILQYSM-UHFFFAOYSA-N -1 1 384.617 2.458 20 10 GECDMM CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781898570 653651440 /nfs/dbraw/zinc/65/14/40/653651440.db2.gz ZVVHRBNHCDANSA-CQSZACIVSA-N -1 1 398.345 2.495 20 10 GECDMM COC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000799231505 654088400 /nfs/dbraw/zinc/08/84/00/654088400.db2.gz NQOHJBWNQZJXOL-UHFFFAOYSA-N -1 1 381.186 2.053 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000834476170 654328479 /nfs/dbraw/zinc/32/84/79/654328479.db2.gz QAGNILATNAUELB-MBNYWOFBSA-N -1 1 381.270 2.466 20 10 GECDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000872486671 654353462 /nfs/dbraw/zinc/35/34/62/654353462.db2.gz FMEBDISEVCTOSN-FQEVSTJZSA-N -1 1 399.332 2.385 20 10 GECDMM COC(=O)c1cn([C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)nn1 ZINC000894467229 654478506 /nfs/dbraw/zinc/47/85/06/654478506.db2.gz ZCCZOFRJSVOBLC-LLVKDONJSA-N -1 1 399.220 2.119 20 10 GECDMM COc1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000737098131 598954608 /nfs/dbraw/zinc/95/46/08/598954608.db2.gz CEBOQDIPUAWFCX-UHFFFAOYSA-N -1 1 388.435 2.145 20 10 GECDMM COc1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000737098131 598954610 /nfs/dbraw/zinc/95/46/10/598954610.db2.gz CEBOQDIPUAWFCX-UHFFFAOYSA-N -1 1 388.435 2.145 20 10 GECDMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000737682317 600313473 /nfs/dbraw/zinc/31/34/73/600313473.db2.gz LJCYRDYKLXBCAT-LBPRGKRZSA-N -1 1 386.404 2.336 20 10 GECDMM COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1C(=O)[O-] ZINC000832468781 600984206 /nfs/dbraw/zinc/98/42/06/600984206.db2.gz ORPYEYSXWVGEDY-UHFFFAOYSA-N -1 1 394.434 2.051 20 10 GECDMM O=C(Cn1nc(Br)nc1Br)c1ccc([O-])c(O)c1 ZINC000178673252 644436389 /nfs/dbraw/zinc/43/63/89/644436389.db2.gz FUAJFIWVDOSIRJ-UHFFFAOYSA-N -1 1 376.992 2.097 20 10 GECDMM O=C(NCCc1ccc(O)c(O)c1)c1cc(I)ccc1[O-] ZINC000193987582 645306589 /nfs/dbraw/zinc/30/65/89/645306589.db2.gz PIBSUYCCCPRJAN-UHFFFAOYSA-N -1 1 399.184 2.381 20 10 GECDMM CC1(C)CN(CCNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277305005 646400582 /nfs/dbraw/zinc/40/05/82/646400582.db2.gz CHCQLVCKCAYUJA-UHFFFAOYSA-N -1 1 386.290 2.065 20 10 GECDMM CCn1nc(C)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277513697 646434171 /nfs/dbraw/zinc/43/41/71/646434171.db2.gz RKDABENTFWKHEU-UHFFFAOYSA-N -1 1 388.287 2.466 20 10 GECDMM CC(C)c1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000281178220 646751480 /nfs/dbraw/zinc/75/14/80/646751480.db2.gz LCQCJPNSORPERT-UHFFFAOYSA-N -1 1 393.241 2.323 20 10 GECDMM CC(=O)c1cc(Cl)cc(CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1[O-] ZINC000287967368 646903765 /nfs/dbraw/zinc/90/37/65/646903765.db2.gz ZBXHYSBJKCKWSH-IVCQMTBJSA-N -1 1 381.885 2.287 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000728206732 651540291 /nfs/dbraw/zinc/54/02/91/651540291.db2.gz LDDVMYCRSGQWQR-UHFFFAOYSA-N -1 1 380.407 2.128 20 10 GECDMM O=C(CCCNC(=O)c1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765747050 652851918 /nfs/dbraw/zinc/85/19/18/652851918.db2.gz KHKTWHOQWUDAJL-UHFFFAOYSA-N -1 1 392.253 2.376 20 10 GECDMM O=C(CNC(=O)c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765751892 652852276 /nfs/dbraw/zinc/85/22/76/652852276.db2.gz TWVWZNZKJINTIS-UHFFFAOYSA-N -1 1 381.201 2.340 20 10 GECDMM Cn1c2ccccc2n(CC(=O)NCc2cccc(Br)c2[O-])c1=O ZINC000765752962 652852324 /nfs/dbraw/zinc/85/23/24/652852324.db2.gz KLNQSUSFIUIMQG-UHFFFAOYSA-N -1 1 390.237 2.125 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000765925718 652857438 /nfs/dbraw/zinc/85/74/38/652857438.db2.gz JXGCXJWSDMFBFP-UHFFFAOYSA-N -1 1 389.209 2.286 20 10 GECDMM CC(C)Cn1cnc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766199771 652871504 /nfs/dbraw/zinc/87/15/04/652871504.db2.gz IARWPJHSXDJYFY-UHFFFAOYSA-N -1 1 388.287 2.486 20 10 GECDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1C(N)=O ZINC000766201904 652871987 /nfs/dbraw/zinc/87/19/87/652871987.db2.gz XAHSGNZYOJLLFY-UHFFFAOYSA-N -1 1 399.266 2.041 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@H]2CCCCN2C1=O ZINC000836692954 653370398 /nfs/dbraw/zinc/37/03/98/653370398.db2.gz YFIFHLCBBWXCOJ-YPMHNXCESA-N -1 1 382.258 2.107 20 10 GECDMM COc1cc(Br)cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000877776958 653619243 /nfs/dbraw/zinc/61/92/43/653619243.db2.gz IIZSIBBQWMTSRX-UHFFFAOYSA-N -1 1 397.191 2.274 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000822459498 653828940 /nfs/dbraw/zinc/82/89/40/653828940.db2.gz WINLCFXSJFKNCN-IUCAKERBSA-N -1 1 395.175 2.086 20 10 GECDMM CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895414051 653833630 /nfs/dbraw/zinc/83/36/30/653833630.db2.gz AHBSSXASIYXMHV-SNVBAGLBSA-N -1 1 395.294 2.055 20 10 GECDMM CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000829609624 654074160 /nfs/dbraw/zinc/07/41/60/654074160.db2.gz ODOZGVATYYNYMA-UHFFFAOYSA-N -1 1 384.479 2.127 20 10 GECDMM COCCN1C(=O)C(=CNc2ccc(SC(F)F)cc2)C(=O)[N-]C1=S ZINC000920976173 654231316 /nfs/dbraw/zinc/23/13/16/654231316.db2.gz IMXQSQCMZOBDTE-FLIBITNWSA-N -1 1 387.433 2.187 20 10 GECDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000852469255 654243610 /nfs/dbraw/zinc/24/36/10/654243610.db2.gz GCOPZBDKJDMVKB-CQSZACIVSA-N -1 1 387.274 2.396 20 10 GECDMM COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894581993 654488301 /nfs/dbraw/zinc/48/83/01/654488301.db2.gz QQWSNCYRMWKOTF-SMDDNHRTSA-N -1 1 392.265 2.140 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1coc2c1C(=O)NCCC2 ZINC000907757380 654575256 /nfs/dbraw/zinc/57/52/56/654575256.db2.gz FMSJIFMHKLQKEN-UHFFFAOYSA-N -1 1 379.210 2.354 20 10 GECDMM COCCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(=O)cc1C ZINC000288571595 532832056 /nfs/dbraw/zinc/83/20/56/532832056.db2.gz WOYMYDXOSTWUTD-UHFFFAOYSA-N -1 1 395.253 2.201 20 10 GECDMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(N2CCOCC2)cc1 ZINC000738437368 598937427 /nfs/dbraw/zinc/93/74/27/598937427.db2.gz OULJEVFTCHLXJK-UHFFFAOYSA-N -1 1 388.435 2.259 20 10 GECDMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc(N2CCOCC2)cc1 ZINC000738437368 598937429 /nfs/dbraw/zinc/93/74/29/598937429.db2.gz OULJEVFTCHLXJK-UHFFFAOYSA-N -1 1 388.435 2.259 20 10 GECDMM FC(F)Oc1ccc(N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737638051 598355200 /nfs/dbraw/zinc/35/52/00/598355200.db2.gz BUZLTTUBZGGNJA-UHFFFAOYSA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737638051 598355206 /nfs/dbraw/zinc/35/52/06/598355206.db2.gz BUZLTTUBZGGNJA-UHFFFAOYSA-N -1 1 388.382 2.339 20 10 GECDMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000737685714 600313081 /nfs/dbraw/zinc/31/30/81/600313081.db2.gz NQIQVQSHDSOWHR-GFCCVEGCSA-N -1 1 386.404 2.336 20 10 GECDMM CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000739319054 602753019 /nfs/dbraw/zinc/75/30/19/602753019.db2.gz YTKSBIVFIBETCA-MRXNPFEDSA-N -1 1 380.464 2.020 20 10 GECDMM O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000834116012 605990546 /nfs/dbraw/zinc/99/05/46/605990546.db2.gz PAAIWEPKWWJCAJ-CQSZACIVSA-N -1 1 381.860 2.080 20 10 GECDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820392708 606535957 /nfs/dbraw/zinc/53/59/57/606535957.db2.gz ZKRXXFRADMKDQI-LBPRGKRZSA-N -1 1 384.465 2.256 20 10 GECDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820392708 606535958 /nfs/dbraw/zinc/53/59/58/606535958.db2.gz ZKRXXFRADMKDQI-LBPRGKRZSA-N -1 1 384.465 2.256 20 10 GECDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000826492952 609156733 /nfs/dbraw/zinc/15/67/33/609156733.db2.gz MVABOVVOACKQJC-UHFFFAOYSA-N -1 1 396.226 2.136 20 10 GECDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826493209 609156811 /nfs/dbraw/zinc/15/68/11/609156811.db2.gz YVEUQQYXFGFYDV-UHFFFAOYSA-N -1 1 385.327 2.392 20 10 GECDMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000111995529 643351372 /nfs/dbraw/zinc/35/13/72/643351372.db2.gz CHDBZMRHOYFDCR-UHFFFAOYSA-N -1 1 380.491 2.491 20 10 GECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnc2n1CCC2 ZINC000277424052 646417245 /nfs/dbraw/zinc/41/72/45/646417245.db2.gz LKHUWTPNOMGHCA-VIFPVBQESA-N -1 1 380.246 2.253 20 10 GECDMM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277422593 646417472 /nfs/dbraw/zinc/41/74/72/646417472.db2.gz CZXHWEQDLSXZTH-MRVPVSSYSA-N -1 1 398.286 2.273 20 10 GECDMM CS(=O)(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000277582040 646445937 /nfs/dbraw/zinc/44/59/37/646445937.db2.gz RLUROYCAQFFICM-UHFFFAOYSA-N -1 1 376.272 2.128 20 10 GECDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])S(=O)(=O)C1CC1 ZINC000286965299 646880208 /nfs/dbraw/zinc/88/02/08/646880208.db2.gz GKUPSQPUNZTEFX-UHFFFAOYSA-N -1 1 376.272 2.127 20 10 GECDMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000323321582 647296794 /nfs/dbraw/zinc/29/67/94/647296794.db2.gz JBTSJPMGTUMTFD-UHFFFAOYSA-N -1 1 375.859 2.216 20 10 GECDMM CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000753022508 652398112 /nfs/dbraw/zinc/39/81/12/652398112.db2.gz XQRJRLCZSBHZQR-UHFFFAOYSA-N -1 1 377.390 2.265 20 10 GECDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000757654883 652519972 /nfs/dbraw/zinc/51/99/72/652519972.db2.gz HPZXVCHNVVZUCE-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)s1 ZINC000758168597 652532364 /nfs/dbraw/zinc/53/23/64/652532364.db2.gz DAIUBHJWPYKYSC-UHFFFAOYSA-N -1 1 385.847 2.451 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(-c2ncccn2)c1 ZINC000765304665 652836235 /nfs/dbraw/zinc/83/62/35/652836235.db2.gz QJEIJYPZTGEPKM-UHFFFAOYSA-N -1 1 389.213 2.452 20 10 GECDMM O=C(Cn1c(=O)cnc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765771231 652853738 /nfs/dbraw/zinc/85/37/38/652853738.db2.gz WGKJYOLJXJAVEW-UHFFFAOYSA-N -1 1 388.221 2.181 20 10 GECDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2c(c1)OCO2 ZINC000766200857 652871327 /nfs/dbraw/zinc/87/13/27/652871327.db2.gz OUKYOMNUTUAELP-UHFFFAOYSA-N -1 1 386.223 2.362 20 10 GECDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000771934736 653132669 /nfs/dbraw/zinc/13/26/69/653132669.db2.gz DLMALLXRYYYRSW-UHFFFAOYSA-N -1 1 385.486 2.214 20 10 GECDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000776433560 653348583 /nfs/dbraw/zinc/34/85/83/653348583.db2.gz VRSVJJOMLZCXDG-UHFFFAOYSA-N -1 1 385.781 2.316 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)c1 ZINC000780972222 653636779 /nfs/dbraw/zinc/63/67/79/653636779.db2.gz KRAFINMTHUOVMN-UHFFFAOYSA-N -1 1 378.435 2.181 20 10 GECDMM COc1cc(COCC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000861332737 653655046 /nfs/dbraw/zinc/65/50/46/653655046.db2.gz SXTNAXDIOJSWSS-UHFFFAOYSA-N -1 1 381.226 2.391 20 10 GECDMM CCCN1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000817173201 653705399 /nfs/dbraw/zinc/70/53/99/653705399.db2.gz NZYPAMPDFFAPEZ-NSHDSACASA-N -1 1 384.274 2.212 20 10 GECDMM COc1cc(CS(=O)(=O)NCc2cccc(Br)c2[O-])sn1 ZINC000882131559 653764516 /nfs/dbraw/zinc/76/45/16/653764516.db2.gz IBQGZAFZYOWXCM-UHFFFAOYSA-N -1 1 393.284 2.239 20 10 GECDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(CCN2CCOCC2)c1 ZINC000883078391 653825056 /nfs/dbraw/zinc/82/50/56/653825056.db2.gz PSURPZLISCTKJF-UHFFFAOYSA-N -1 1 399.264 2.435 20 10 GECDMM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000822458808 653828561 /nfs/dbraw/zinc/82/85/61/653828561.db2.gz LLRMYKHWRWFXAW-NWDGAFQWSA-N -1 1 386.242 2.129 20 10 GECDMM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000844936752 653830001 /nfs/dbraw/zinc/83/00/01/653830001.db2.gz WSZXVVZLTDLAKB-LBPRGKRZSA-N -1 1 397.269 2.052 20 10 GECDMM NS(=O)(=O)c1ccc2c(c1)N(Cc1cccc(Br)c1[O-])CC2 ZINC000792175420 653837004 /nfs/dbraw/zinc/83/70/04/653837004.db2.gz SLKRVYDNGOSWEZ-UHFFFAOYSA-N -1 1 383.267 2.365 20 10 GECDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1S(=O)(=O)C(F)F ZINC000794597229 653913286 /nfs/dbraw/zinc/91/32/86/653913286.db2.gz VGAFGXTUJZMSOS-UHFFFAOYSA-N -1 1 381.353 2.328 20 10 GECDMM CC(C)(C)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000827081268 653973225 /nfs/dbraw/zinc/97/32/25/653973225.db2.gz VMIFWYOHXMEUKA-LBPRGKRZSA-N -1 1 384.274 2.353 20 10 GECDMM Cn1ncc(Cl)c1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000797456824 654033614 /nfs/dbraw/zinc/03/36/14/654033614.db2.gz TXCPZZSDJODVHI-UHFFFAOYSA-N -1 1 380.651 2.020 20 10 GECDMM CCOC(=O)CC1(S(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000831289098 654176949 /nfs/dbraw/zinc/17/69/49/654176949.db2.gz ZLZWFDLFNNYNHM-UHFFFAOYSA-N -1 1 392.271 2.060 20 10 GECDMM CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893866501 654427858 /nfs/dbraw/zinc/42/78/58/654427858.db2.gz OUDXCVLLTRXFRL-JTQLQIEISA-N -1 1 395.294 2.055 20 10 GECDMM NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894017959 654439283 /nfs/dbraw/zinc/43/92/83/654439283.db2.gz USOHRUOTQNIEJJ-SECBINFHSA-N -1 1 397.722 2.309 20 10 GECDMM NC(=O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000183448875 532325192 /nfs/dbraw/zinc/32/51/92/532325192.db2.gz MHDMEFXAUNJAJR-SSDOTTSWSA-N -1 1 378.064 2.224 20 10 GECDMM C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054149 532339707 /nfs/dbraw/zinc/33/97/07/532339707.db2.gz BRNIBYINKGKIDR-QMTHXVAHSA-N -1 1 379.258 2.344 20 10 GECDMM C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1[O-] ZINC000186054905 532339767 /nfs/dbraw/zinc/33/97/67/532339767.db2.gz BVRCPNVIBQWXEX-YGRLFVJLSA-N -1 1 379.258 2.344 20 10 GECDMM COc1cc(Br)cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375384137 532552728 /nfs/dbraw/zinc/55/27/28/532552728.db2.gz JUHVEZHJXFPJHA-NXEZZACHSA-N -1 1 397.191 2.259 20 10 GECDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1ccccc1O ZINC000823478671 599336574 /nfs/dbraw/zinc/33/65/74/599336574.db2.gz OSGGZEZXPMJBDN-UHFFFAOYSA-N -1 1 376.376 2.403 20 10 GECDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1ccccc1O ZINC000823478671 599336576 /nfs/dbraw/zinc/33/65/76/599336576.db2.gz OSGGZEZXPMJBDN-UHFFFAOYSA-N -1 1 376.376 2.403 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000736185640 599931869 /nfs/dbraw/zinc/93/18/69/599931869.db2.gz OVQOZZJVSDEKJM-AWEZNQCLSA-N -1 1 390.480 2.112 20 10 GECDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000826498964 607452545 /nfs/dbraw/zinc/45/25/45/607452545.db2.gz QBAPAOJBOJKSLY-UHFFFAOYSA-N -1 1 381.396 2.224 20 10 GECDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000826498964 607452547 /nfs/dbraw/zinc/45/25/47/607452547.db2.gz QBAPAOJBOJKSLY-UHFFFAOYSA-N -1 1 381.396 2.224 20 10 GECDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000739006971 602273170 /nfs/dbraw/zinc/27/31/70/602273170.db2.gz GUOSJSYHRGWKEJ-QAPCUYQASA-N -1 1 376.501 2.222 20 10 GECDMM CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353116 602578635 /nfs/dbraw/zinc/57/86/35/602578635.db2.gz YTLCIYFUPLIKIZ-SFHVURJKSA-N -1 1 376.501 2.175 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2F)CC1 ZINC000827227259 602876343 /nfs/dbraw/zinc/87/63/43/602876343.db2.gz CRRSVFZOHJIMMA-INIZCTEOSA-N -1 1 392.475 2.116 20 10 GECDMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000834024183 605593504 /nfs/dbraw/zinc/59/35/04/605593504.db2.gz BCUPYQNUWXNPBL-CJNGLKHVSA-N -1 1 379.432 2.002 20 10 GECDMM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821660391 606394280 /nfs/dbraw/zinc/39/42/80/606394280.db2.gz PJPSBFTYHMUXFP-JXMROGBWSA-N -1 1 395.491 2.083 20 10 GECDMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000826280976 608545092 /nfs/dbraw/zinc/54/50/92/608545092.db2.gz YEIOFLXHRZJAEN-UHFFFAOYSA-N -1 1 379.468 2.391 20 10 GECDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157592548 644135375 /nfs/dbraw/zinc/13/53/75/644135375.db2.gz CRWGVTIXAWKHIH-UHFFFAOYSA-N -1 1 380.369 2.276 20 10 GECDMM CC1(C)COCCN1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277578503 646445409 /nfs/dbraw/zinc/44/54/09/646445409.db2.gz SDLSMDQRKNNLFE-UHFFFAOYSA-N -1 1 386.290 2.065 20 10 GECDMM O=C(NCCc1ccc(O)c(O)c1)c1ccc(I)c([O-])c1 ZINC000760918285 652627943 /nfs/dbraw/zinc/62/79/43/652627943.db2.gz KLXPDIHTXDCFBP-UHFFFAOYSA-N -1 1 399.184 2.381 20 10 GECDMM C[C@H]([C@H](C)NC(=O)NCc1cccc(Br)c1[O-])N1CCOCC1 ZINC000764783754 652812599 /nfs/dbraw/zinc/81/25/99/652812599.db2.gz MBFBEZYJFYRFOL-NWDGAFQWSA-N -1 1 386.290 2.063 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000765538876 652843122 /nfs/dbraw/zinc/84/31/22/652843122.db2.gz XRAIMSMISGTQRJ-WBMJQRKESA-N -1 1 385.258 2.292 20 10 GECDMM Cn1cc(-c2n[nH]cc2C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765728907 652850467 /nfs/dbraw/zinc/85/04/67/652850467.db2.gz WUOJRASKOKCIKY-UHFFFAOYSA-N -1 1 376.214 2.208 20 10 GECDMM COc1ccc(C(=O)NCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765747445 652851976 /nfs/dbraw/zinc/85/19/76/652851976.db2.gz NIZWGUMRTQMEBS-UHFFFAOYSA-N -1 1 393.237 2.210 20 10 GECDMM CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765754253 652852301 /nfs/dbraw/zinc/85/23/01/652852301.db2.gz UCOKJJCSHPNSKV-UHFFFAOYSA-N -1 1 399.266 2.456 20 10 GECDMM CC(C)CN1N=C(C(=O)NCc2cccc(Br)c2[O-])CCC1=O ZINC000765766812 652853311 /nfs/dbraw/zinc/85/33/11/652853311.db2.gz BZTFKUFPHHNYHV-UHFFFAOYSA-N -1 1 382.258 2.405 20 10 GECDMM Cn1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000765904408 652857046 /nfs/dbraw/zinc/85/70/46/652857046.db2.gz TWLHJONJDIRQTM-UHFFFAOYSA-N -1 1 393.241 2.021 20 10 GECDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000779459925 653478123 /nfs/dbraw/zinc/47/81/23/653478123.db2.gz VNMJKUCEOAIUEN-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1nc[nH]c1Br ZINC000866485524 653798299 /nfs/dbraw/zinc/79/82/99/653798299.db2.gz RZQDNPZIKSLUSU-UHFFFAOYSA-N -1 1 385.287 2.251 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000822459500 653829057 /nfs/dbraw/zinc/82/90/57/653829057.db2.gz WINLCFXSJFKNCN-RKDXNWHRSA-N -1 1 395.175 2.086 20 10 GECDMM [O-]c1c(Br)cc(Cl)cc1CN1CCN(Cc2nnc[nH]2)CC1 ZINC000895493075 653838082 /nfs/dbraw/zinc/83/80/82/653838082.db2.gz FIDYIVDZAAYPCV-UHFFFAOYSA-N -1 1 386.681 2.244 20 10 GECDMM CC(C)(C)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000827081167 653973324 /nfs/dbraw/zinc/97/33/24/653973324.db2.gz VMIFWYOHXMEUKA-GFCCVEGCSA-N -1 1 384.274 2.353 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC12CCOCC2 ZINC000898780676 653985580 /nfs/dbraw/zinc/98/55/80/653985580.db2.gz AVZKKORQPYOQGV-CYBMUJFWSA-N -1 1 385.258 2.292 20 10 GECDMM CO[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCSC1 ZINC000925369249 654542989 /nfs/dbraw/zinc/54/29/89/654542989.db2.gz GPVOVCWZDDREEF-AWEZNQCLSA-N -1 1 375.288 2.476 20 10 GECDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000274762513 532856066 /nfs/dbraw/zinc/85/60/66/532856066.db2.gz HEDMHWAJSYTARC-UHFFFAOYSA-N -1 1 384.479 2.026 20 10 GECDMM Cc1nn(-c2ccccc2)c(COC(=O)C2=CC(=O)CS2)c1-c1nn[n-]n1 ZINC000737504310 598723466 /nfs/dbraw/zinc/72/34/66/598723466.db2.gz SDJLFBVYALAOOB-UHFFFAOYSA-N -1 1 382.405 2.485 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])cc2F)CC1 ZINC000737117540 600076679 /nfs/dbraw/zinc/07/66/79/600076679.db2.gz WVGLNNLFVOGCBK-KRWDZBQOSA-N -1 1 394.491 2.266 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829780331 600939116 /nfs/dbraw/zinc/93/91/16/600939116.db2.gz FPFWFYCMDUKRRF-SJORKVTESA-N -1 1 391.487 2.475 20 10 GECDMM O=C([O-])C[N@H+](CCN1CCOCC1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833248338 600985349 /nfs/dbraw/zinc/98/53/49/600985349.db2.gz MYGLMEDLQQIUNP-UHFFFAOYSA-N -1 1 388.464 2.236 20 10 GECDMM O=C([O-])C[N@@H+](CCN1CCOCC1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000833248338 600985352 /nfs/dbraw/zinc/98/53/52/600985352.db2.gz MYGLMEDLQQIUNP-UHFFFAOYSA-N -1 1 388.464 2.236 20 10 GECDMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000739028907 602444718 /nfs/dbraw/zinc/44/47/18/602444718.db2.gz SCSIFALBLIHTJI-OAHLLOKOSA-N -1 1 376.501 2.079 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2F)CC1 ZINC000739456106 602753143 /nfs/dbraw/zinc/75/31/43/602753143.db2.gz LXGKUBOSUDCSIS-SFHVURJKSA-N -1 1 392.475 2.116 20 10 GECDMM Cc1cc(C)c2c(N)c(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)sc2n1 ZINC000826263754 607599616 /nfs/dbraw/zinc/59/96/16/607599616.db2.gz PAIDDFAUFNLJIC-UHFFFAOYSA-N -1 1 381.421 2.427 20 10 GECDMM Cc1cc(C)c2c(N)c(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)sc2n1 ZINC000826263754 607599617 /nfs/dbraw/zinc/59/96/17/607599617.db2.gz PAIDDFAUFNLJIC-UHFFFAOYSA-N -1 1 381.421 2.427 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cc(N2CCOCC2)ccn1 ZINC000277574165 646444030 /nfs/dbraw/zinc/44/40/30/646444030.db2.gz QWBVCCLUVNATOX-UHFFFAOYSA-N -1 1 392.253 2.316 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000277578167 646445546 /nfs/dbraw/zinc/44/55/46/646445546.db2.gz RHVWWUOSIVYOAO-WPRPVWTQSA-N -1 1 395.175 2.228 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000743307840 652016585 /nfs/dbraw/zinc/01/65/85/652016585.db2.gz WOJAVPNBQDTRQI-UHFFFAOYSA-N -1 1 381.357 2.491 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000765538871 652843091 /nfs/dbraw/zinc/84/30/91/652843091.db2.gz XRAIMSMISGTQRJ-LRDDRELGSA-N -1 1 385.258 2.292 20 10 GECDMM CS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751107 652852403 /nfs/dbraw/zinc/85/24/03/652852403.db2.gz NZUPGDUDMRNVSG-UHFFFAOYSA-N -1 1 384.251 2.488 20 10 GECDMM O=C(CN1Cc2ccccc2C1=O)NCc1cccc(Br)c1[O-] ZINC000765750210 652852433 /nfs/dbraw/zinc/85/24/33/652852433.db2.gz BVCVQAAXTHNZSR-UHFFFAOYSA-N -1 1 375.222 2.427 20 10 GECDMM O=C(CNC(=O)c1ccc(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000765768215 652853206 /nfs/dbraw/zinc/85/32/06/652853206.db2.gz HRMDHACGCIXQIH-UHFFFAOYSA-N -1 1 399.191 2.479 20 10 GECDMM CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765765127 652853248 /nfs/dbraw/zinc/85/32/48/652853248.db2.gz NRHDFMIZGPIAHW-UHFFFAOYSA-N -1 1 388.239 2.222 20 10 GECDMM O=C(Cn1ncc2ccccc2c1=O)NCc1cccc(Br)c1[O-] ZINC000765770317 652853750 /nfs/dbraw/zinc/85/37/50/652853750.db2.gz OCUFIYCWBNCJJC-UHFFFAOYSA-N -1 1 388.221 2.181 20 10 GECDMM COc1ccc(Cl)c(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c1 ZINC000769795953 653178100 /nfs/dbraw/zinc/17/81/00/653178100.db2.gz UXHQAGORCGDARU-UHFFFAOYSA-N -1 1 379.833 2.044 20 10 GECDMM Cn1ncc(I)c1CNCc1ccc(F)c(F)c1[O-] ZINC000877774658 653619175 /nfs/dbraw/zinc/61/91/75/653619175.db2.gz LPRMRUUXSSWGES-UHFFFAOYSA-N -1 1 379.148 2.298 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(=O)NC(C)C)CC2)c1 ZINC000781895236 653651323 /nfs/dbraw/zinc/65/13/23/653651323.db2.gz QOWLKTQFCUIMGN-UHFFFAOYSA-N -1 1 384.318 2.105 20 10 GECDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)nc1F ZINC000866533693 653801060 /nfs/dbraw/zinc/80/10/60/653801060.db2.gz UIJFRYAOLJDLAC-UHFFFAOYSA-N -1 1 385.461 2.392 20 10 GECDMM O=C(Cn1cc(NCc2cc(Br)cc(F)c2[O-])cn1)NC1CC1 ZINC000882965856 653819926 /nfs/dbraw/zinc/81/99/26/653819926.db2.gz PDHWEIFHUCORKD-UHFFFAOYSA-N -1 1 383.221 2.381 20 10 GECDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(O)(COCCO)CC1 ZINC000895828361 653851780 /nfs/dbraw/zinc/85/17/80/653851780.db2.gz HXSLNOKUHQIIIL-UHFFFAOYSA-N -1 1 394.693 2.144 20 10 GECDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cn1 ZINC000795289646 653943230 /nfs/dbraw/zinc/94/32/30/653943230.db2.gz FWNBEOIFBRRJKW-UHFFFAOYSA-N -1 1 375.859 2.216 20 10 GECDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000795300909 653944117 /nfs/dbraw/zinc/94/41/17/653944117.db2.gz CKFBRJCTAWTZLB-UHFFFAOYSA-N -1 1 385.467 2.043 20 10 GECDMM COc1ccc(O)c(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000737105245 598921647 /nfs/dbraw/zinc/92/16/47/598921647.db2.gz FROFIZXVXDCFOJ-UHFFFAOYSA-N -1 1 394.391 2.203 20 10 GECDMM COc1ccc(O)c(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000737105245 598921648 /nfs/dbraw/zinc/92/16/48/598921648.db2.gz FROFIZXVXDCFOJ-UHFFFAOYSA-N -1 1 394.391 2.203 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000822732905 599084241 /nfs/dbraw/zinc/08/42/41/599084241.db2.gz OBNAWYBWPHPPTL-LLVKDONJSA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000822732905 599084244 /nfs/dbraw/zinc/08/42/44/599084244.db2.gz OBNAWYBWPHPPTL-LLVKDONJSA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000822732906 599084437 /nfs/dbraw/zinc/08/44/37/599084437.db2.gz OBNAWYBWPHPPTL-NSHDSACASA-N -1 1 388.382 2.339 20 10 GECDMM FC(F)Oc1ccc(N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000822732906 599084439 /nfs/dbraw/zinc/08/44/39/599084439.db2.gz OBNAWYBWPHPPTL-NSHDSACASA-N -1 1 388.382 2.339 20 10 GECDMM COC(=O)c1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc(C(=O)[O-])c1 ZINC000737659875 600313541 /nfs/dbraw/zinc/31/35/41/600313541.db2.gz KMUAEWGYKALNQY-GFCCVEGCSA-N -1 1 386.404 2.336 20 10 GECDMM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826705270 604745841 /nfs/dbraw/zinc/74/58/41/604745841.db2.gz MIJXNIKLBBSGLU-GOEBONIOSA-N -1 1 383.876 2.418 20 10 GECDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289333 606276247 /nfs/dbraw/zinc/27/62/47/606276247.db2.gz HZSRJWIZQVQMTF-UHFFFAOYSA-N -1 1 383.375 2.224 20 10 GECDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289333 606276248 /nfs/dbraw/zinc/27/62/48/606276248.db2.gz HZSRJWIZQVQMTF-UHFFFAOYSA-N -1 1 383.375 2.224 20 10 GECDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821611134 606519592 /nfs/dbraw/zinc/51/95/92/606519592.db2.gz RTBBFIWZEXVBJH-UHFFFAOYSA-N -1 1 384.465 2.037 20 10 GECDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821611134 606519594 /nfs/dbraw/zinc/51/95/94/606519594.db2.gz RTBBFIWZEXVBJH-UHFFFAOYSA-N -1 1 384.465 2.037 20 10 GECDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823252984 606528368 /nfs/dbraw/zinc/52/83/68/606528368.db2.gz CLGOBWPGUWIRPR-UHFFFAOYSA-N -1 1 386.506 2.411 20 10 GECDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823252984 606528370 /nfs/dbraw/zinc/52/83/70/606528370.db2.gz CLGOBWPGUWIRPR-UHFFFAOYSA-N -1 1 386.506 2.411 20 10 GECDMM O=C(NCc1ccccc1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443393 609364394 /nfs/dbraw/zinc/36/43/94/609364394.db2.gz MYXDFGBNULJAOG-UHFFFAOYSA-N -1 1 394.370 2.219 20 10 GECDMM CC(C)(C)n1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277376596 646410054 /nfs/dbraw/zinc/41/00/54/646410054.db2.gz AUFWNQVLPHZWJO-UHFFFAOYSA-N -1 1 395.257 2.361 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C1CCN(c2cnccn2)CC1 ZINC000277511238 646433433 /nfs/dbraw/zinc/43/34/33/646433433.db2.gz KYUZHSMOJGQCGS-UHFFFAOYSA-N -1 1 391.269 2.478 20 10 GECDMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000551912003 651136106 /nfs/dbraw/zinc/13/61/06/651136106.db2.gz XOGPXLCXDQQXNO-UHFFFAOYSA-N -1 1 379.419 2.346 20 10 GECDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000755983029 652483344 /nfs/dbraw/zinc/48/33/44/652483344.db2.gz JXPHLBXXSFZMFX-UHFFFAOYSA-N -1 1 384.479 2.272 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1cn(Cc2ccccn2)nn1 ZINC000765736578 652850633 /nfs/dbraw/zinc/85/06/33/652850633.db2.gz PCRZAQKSULAEBD-UHFFFAOYSA-N -1 1 388.225 2.120 20 10 GECDMM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765745985 652851930 /nfs/dbraw/zinc/85/19/30/652851930.db2.gz BHRGORBPZYOCLW-UHFFFAOYSA-N -1 1 392.209 2.233 20 10 GECDMM Cn1cc(-c2nn(C)cc2C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765765281 652853325 /nfs/dbraw/zinc/85/33/25/652853325.db2.gz QTUFQCNWHRBKQS-UHFFFAOYSA-N -1 1 390.241 2.219 20 10 GECDMM COc1ncc(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765931636 652857943 /nfs/dbraw/zinc/85/79/43/652857943.db2.gz PJZPPHBEDFQNOU-UHFFFAOYSA-N -1 1 394.225 2.122 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)C(=O)NC2=O ZINC000766236831 652872745 /nfs/dbraw/zinc/87/27/45/652872745.db2.gz NBQPQRHZNXPPMD-UHFFFAOYSA-N -1 1 390.193 2.360 20 10 GECDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000775257191 653306894 /nfs/dbraw/zinc/30/68/94/653306894.db2.gz GQYBDCCTGQKTLB-UHFFFAOYSA-N -1 1 383.476 2.469 20 10 GECDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776433547 653348639 /nfs/dbraw/zinc/34/86/39/653348639.db2.gz VHFODIXNKUINFS-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM CCO[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000859133934 653411515 /nfs/dbraw/zinc/41/15/15/653411515.db2.gz KENBNMCEHANDDU-ZDUSSCGKSA-N -1 1 378.288 2.389 20 10 GECDMM COCCn1nnc2c1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000816637033 653689363 /nfs/dbraw/zinc/68/93/63/653689363.db2.gz PDNIDWXHUQIDKV-UHFFFAOYSA-N -1 1 381.274 2.259 20 10 GECDMM CN1CCn2nc(NC(=O)NCc3cccc(Br)c3[O-])cc2C1 ZINC000880820534 653715905 /nfs/dbraw/zinc/71/59/05/653715905.db2.gz RUDFYWFGVXQPLT-UHFFFAOYSA-N -1 1 380.246 2.118 20 10 GECDMM CCc1cc(O)ccc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000790415313 653791222 /nfs/dbraw/zinc/79/12/22/653791222.db2.gz CYUVNSKKYSWUDU-UHFFFAOYSA-N -1 1 388.442 2.266 20 10 GECDMM COc1ccc(Cl)cc1NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000792680904 653849440 /nfs/dbraw/zinc/84/94/40/653849440.db2.gz NSNOOAOGVNXOQJ-UHFFFAOYSA-N -1 1 379.833 2.044 20 10 GECDMM CCOC(=O)Cn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000847248525 653921859 /nfs/dbraw/zinc/92/18/59/653921859.db2.gz OXAFXJPXVCFIPB-UHFFFAOYSA-N -1 1 397.229 2.236 20 10 GECDMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000795343366 653946994 /nfs/dbraw/zinc/94/69/94/653946994.db2.gz IKBHQPXIBNODRV-UHFFFAOYSA-N -1 1 384.841 2.223 20 10 GECDMM CO[C@@H]1CCn2cc(C(=O)NCc3cccc(Br)c3[O-])nc2C1 ZINC000867830826 653994735 /nfs/dbraw/zinc/99/47/35/653994735.db2.gz JQCCGDIGMFPVDM-LLVKDONJSA-N -1 1 380.242 2.242 20 10 GECDMM Cc1nc(NCc2cccc(Br)c2[O-])sc1S(N)(=O)=O ZINC000801674018 654202640 /nfs/dbraw/zinc/20/26/40/654202640.db2.gz YVAYPGQWUSRUBP-UHFFFAOYSA-N -1 1 378.273 2.179 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])c1c(Br)nc2n1CCOC2 ZINC000890761253 654241610 /nfs/dbraw/zinc/24/16/10/654241610.db2.gz NYUCZDDWWAIUBV-UHFFFAOYSA-N -1 1 386.633 2.465 20 10 GECDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000852469254 654243836 /nfs/dbraw/zinc/24/38/36/654243836.db2.gz GCOPZBDKJDMVKB-AWEZNQCLSA-N -1 1 387.274 2.396 20 10 GECDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C2)cc1 ZINC000872503011 654358475 /nfs/dbraw/zinc/35/84/75/654358475.db2.gz DECDRECXXDRNKR-OZAJXLCCSA-N -1 1 389.543 2.005 20 10 GECDMM O=C(NCCO)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893942650 654432562 /nfs/dbraw/zinc/43/25/62/654432562.db2.gz GCTOOPZRFOVDEO-UHFFFAOYSA-N -1 1 391.693 2.129 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000736289732 598345037 /nfs/dbraw/zinc/34/50/37/598345037.db2.gz MRKVLIABNZLBPL-VXGBXAGGSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000736289732 598345038 /nfs/dbraw/zinc/34/50/38/598345038.db2.gz MRKVLIABNZLBPL-VXGBXAGGSA-N -1 1 384.419 2.022 20 10 GECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1ccccn1 ZINC000823504136 599312897 /nfs/dbraw/zinc/31/28/97/599312897.db2.gz MQKGLAXULLMESP-UKTHLTGXSA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1ccccn1 ZINC000823504136 599312900 /nfs/dbraw/zinc/31/29/00/599312900.db2.gz MQKGLAXULLMESP-UKTHLTGXSA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1cccnc1 ZINC000823504597 599313093 /nfs/dbraw/zinc/31/30/93/599313093.db2.gz RRFBMZUCRLEJSD-MDWZMJQESA-N -1 1 384.446 2.299 20 10 GECDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1cccnc1 ZINC000823504597 599313098 /nfs/dbraw/zinc/31/30/98/599313098.db2.gz RRFBMZUCRLEJSD-MDWZMJQESA-N -1 1 384.446 2.299 20 10 GECDMM CN(Cc1ccccc1O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825981620 607625926 /nfs/dbraw/zinc/62/59/26/607625926.db2.gz VOGNDUIXJIAAKW-UHFFFAOYSA-N -1 1 379.829 2.046 20 10 GECDMM CN(Cc1ccccc1O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825981620 607625928 /nfs/dbraw/zinc/62/59/28/607625928.db2.gz VOGNDUIXJIAAKW-UHFFFAOYSA-N -1 1 379.829 2.046 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CC(=O)[O-])cc2F)CC1 ZINC000829780433 604685043 /nfs/dbraw/zinc/68/50/43/604685043.db2.gz HFACQBKDXBWNPS-INIZCTEOSA-N -1 1 392.475 2.116 20 10 GECDMM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821831461 606546121 /nfs/dbraw/zinc/54/61/21/606546121.db2.gz ACXVSTZAULOKQT-UHFFFAOYSA-N -1 1 384.465 2.336 20 10 GECDMM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821831461 606546123 /nfs/dbraw/zinc/54/61/23/606546123.db2.gz ACXVSTZAULOKQT-UHFFFAOYSA-N -1 1 384.465 2.336 20 10 GECDMM C[C@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2F)C[C@H](C)O1 ZINC000824991788 608401323 /nfs/dbraw/zinc/40/13/23/608401323.db2.gz HEADFXSLQMYNQR-RYUDHWBXSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2F)C[C@H](C)O1 ZINC000824991788 608401325 /nfs/dbraw/zinc/40/13/25/608401325.db2.gz HEADFXSLQMYNQR-RYUDHWBXSA-N -1 1 384.419 2.022 20 10 GECDMM CC(C)CN1C(=O)C(=CNc2c(F)c(F)cc(F)c2F)C(=O)[N-]C1=S ZINC000254986808 645574097 /nfs/dbraw/zinc/57/40/97/645574097.db2.gz LWDPEWGCWLJIOM-QPJJXVBHSA-N -1 1 375.347 2.438 20 10 GECDMM CC(C)Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277552727 646440688 /nfs/dbraw/zinc/44/06/88/646440688.db2.gz QSXBRLWXAQXVIJ-UHFFFAOYSA-N -1 1 395.257 2.262 20 10 GECDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cnc1Cl ZINC000735267150 651774484 /nfs/dbraw/zinc/77/44/84/651774484.db2.gz IFBMLAFIZUXQEG-UHFFFAOYSA-N -1 1 375.859 2.216 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])NC1CCN(C(=O)C2CC2)CC1 ZINC000764763416 652811319 /nfs/dbraw/zinc/81/13/19/652811319.db2.gz VKVMOVSRGKILMS-UHFFFAOYSA-N -1 1 396.285 2.355 20 10 GECDMM Cc1ccn2c(c1)ncc(C(=O)NCc1cccc(Br)c1[O-])c2=O ZINC000765745957 652851950 /nfs/dbraw/zinc/85/19/50/652851950.db2.gz BBDWSJYHKDJOPQ-UHFFFAOYSA-N -1 1 388.221 2.401 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1C(=O)C(F)(F)F ZINC000765753594 652852296 /nfs/dbraw/zinc/85/22/96/652852296.db2.gz OCGWITOSRLUMOJ-SNVBAGLBSA-N -1 1 395.175 2.324 20 10 GECDMM CN1C(=O)c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2C1=O ZINC000765751234 652852316 /nfs/dbraw/zinc/85/23/16/652852316.db2.gz BKQVTRATOUCXRJ-UHFFFAOYSA-N -1 1 389.205 2.311 20 10 GECDMM Cn1nc(C(=O)NCc2cccc(Br)c2[O-])c2ccccc2c1=O ZINC000765751156 652852444 /nfs/dbraw/zinc/85/24/44/652852444.db2.gz PYMIUCSSCGMXQZ-UHFFFAOYSA-N -1 1 388.221 2.332 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000765767945 652853201 /nfs/dbraw/zinc/85/32/01/652853201.db2.gz GNOYFFXMHWOMPE-UHFFFAOYSA-N -1 1 377.194 2.416 20 10 GECDMM NC(=O)c1ccc(OCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765763587 652853236 /nfs/dbraw/zinc/85/32/36/652853236.db2.gz DXWIWMIPNWPXOY-UHFFFAOYSA-N -1 1 393.237 2.339 20 10 GECDMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(Br)c2O)c1Cl ZINC000766199769 652871305 /nfs/dbraw/zinc/87/13/05/652871305.db2.gz IAMYXDKERINRLA-UHFFFAOYSA-N -1 1 380.651 2.020 20 10 GECDMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115443 653219716 /nfs/dbraw/zinc/21/97/16/653219716.db2.gz DMONYDSREGUZAN-UHFFFAOYSA-N -1 1 375.761 2.449 20 10 GECDMM COCCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000809762907 653293255 /nfs/dbraw/zinc/29/32/55/653293255.db2.gz DJVNNPDGWJDLJG-ZDUSSCGKSA-N -1 1 392.315 2.099 20 10 GECDMM CCN(CC(=O)NC)Cc1cc(Br)cc(Br)c1[O-] ZINC000775653014 653320828 /nfs/dbraw/zinc/32/08/28/653320828.db2.gz ZSSFERATMBPVOV-UHFFFAOYSA-N -1 1 380.080 2.485 20 10 GECDMM CCNC(=O)CN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775659133 653320938 /nfs/dbraw/zinc/32/09/38/653320938.db2.gz XYPDAAUWNCXYQE-UHFFFAOYSA-N -1 1 380.080 2.485 20 10 GECDMM Cc1cc(Br)c([O-])c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000781895153 653651524 /nfs/dbraw/zinc/65/15/24/653651524.db2.gz OOTYCQOAYSGRQW-ZDUSSCGKSA-N -1 1 396.329 2.248 20 10 GECDMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1 ZINC000840915066 653700739 /nfs/dbraw/zinc/70/07/39/653700739.db2.gz JJQPPJUNYDPSJM-UHFFFAOYSA-N -1 1 385.463 2.133 20 10 GECDMM [O-]c1c(F)cc(Br)cc1CNc1ccn(CCN2CCOCC2)n1 ZINC000883046195 653824311 /nfs/dbraw/zinc/82/43/11/653824311.db2.gz BJCOLGYZTWFJEK-UHFFFAOYSA-N -1 1 399.264 2.435 20 10 GECDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1C ZINC000794591729 653913098 /nfs/dbraw/zinc/91/30/98/653913098.db2.gz DLHBEFGBXWLQHZ-UHFFFAOYSA-N -1 1 390.870 2.063 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000797431130 654031200 /nfs/dbraw/zinc/03/12/00/654031200.db2.gz HYMHAIGQMOHLSL-UHFFFAOYSA-N -1 1 393.849 2.156 20 10 GECDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000797431701 654031507 /nfs/dbraw/zinc/03/15/07/654031507.db2.gz WIJVWAPPMVCITJ-UHFFFAOYSA-N -1 1 393.849 2.156 20 10 GECDMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1cccc(Cl)c1[O-] ZINC000890757909 654241225 /nfs/dbraw/zinc/24/12/25/654241225.db2.gz NAPBOLHVGHXNHK-IPYPFGDCSA-N -1 1 383.901 2.388 20 10 GECDMM O=C(NCc1nnc2n1CCCCC2)NCc1cccc(Br)c1[O-] ZINC000278422534 532380304 /nfs/dbraw/zinc/38/03/04/532380304.db2.gz QWTPBAODTGBYRY-UHFFFAOYSA-N -1 1 394.273 2.472 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000376176129 532599934 /nfs/dbraw/zinc/59/99/34/532599934.db2.gz ZBTRRYOIDKVRSS-UHFFFAOYSA-N -1 1 385.492 2.262 20 10 GECDMM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000288178429 532819535 /nfs/dbraw/zinc/81/95/35/532819535.db2.gz DVBZFVXPEBEKPS-UHFFFAOYSA-N -1 1 384.479 2.190 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000736289731 598344947 /nfs/dbraw/zinc/34/49/47/598344947.db2.gz MRKVLIABNZLBPL-TXEJJXNPSA-N -1 1 384.419 2.022 20 10 GECDMM C[C@@H]1CN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000736289731 598344948 /nfs/dbraw/zinc/34/49/48/598344948.db2.gz MRKVLIABNZLBPL-TXEJJXNPSA-N -1 1 384.419 2.022 20 10 GECDMM O=C([O-])C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)ccc1[O-] ZINC000739784394 600314847 /nfs/dbraw/zinc/31/48/47/600314847.db2.gz BOYWWJKUJUFABE-UHFFFAOYSA-N -1 1 388.807 2.228 20 10 GECDMM O=C([O-])C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)ccc1[O-] ZINC000739784394 600314849 /nfs/dbraw/zinc/31/48/49/600314849.db2.gz BOYWWJKUJUFABE-UHFFFAOYSA-N -1 1 388.807 2.228 20 10 GECDMM CCN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1cc(Br)ccc1O ZINC000829618821 600856739 /nfs/dbraw/zinc/85/67/39/600856739.db2.gz JNKBLIYMOKBITG-UHFFFAOYSA-N -1 1 399.285 2.300 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829780326 600939230 /nfs/dbraw/zinc/93/92/30/600939230.db2.gz FPFWFYCMDUKRRF-IRXDYDNUSA-N -1 1 391.487 2.475 20 10 GECDMM O=C([O-])N1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000831591691 605522786 /nfs/dbraw/zinc/52/27/86/605522786.db2.gz MDGHWPQNUTYRFA-WFASDCNBSA-N -1 1 381.860 2.126 20 10 GECDMM CC1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2)CC1 ZINC000820726693 606166472 /nfs/dbraw/zinc/16/64/72/606166472.db2.gz AORSWBDQGPBQDD-UHFFFAOYSA-N -1 1 395.471 2.158 20 10 GECDMM CC1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2)CC1 ZINC000820726693 606166473 /nfs/dbraw/zinc/16/64/73/606166473.db2.gz AORSWBDQGPBQDD-UHFFFAOYSA-N -1 1 395.471 2.158 20 10 GECDMM O=[N+]([O-])c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000823635503 606646098 /nfs/dbraw/zinc/64/60/98/606646098.db2.gz YQVXRFYIDBJWPM-UHFFFAOYSA-N -1 1 381.396 2.224 20 10 GECDMM CCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277417940 646416692 /nfs/dbraw/zinc/41/66/92/646416692.db2.gz CSDORMBFPQQDKY-LBPRGKRZSA-N -1 1 387.299 2.473 20 10 GECDMM CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277494225 646431434 /nfs/dbraw/zinc/43/14/34/646431434.db2.gz QRUFFSNURLXXOE-LLVKDONJSA-N -1 1 386.246 2.185 20 10 GECDMM COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000326476410 647304563 /nfs/dbraw/zinc/30/45/63/647304563.db2.gz JUVUIYZBUSVWHQ-UHFFFAOYSA-N -1 1 385.781 2.331 20 10 GECDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000726519884 651495931 /nfs/dbraw/zinc/49/59/31/651495931.db2.gz RASBYHSMQBKZGV-UHFFFAOYSA-N -1 1 377.447 2.407 20 10 GECDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H](C)N1CCOCC1 ZINC000764783757 652812543 /nfs/dbraw/zinc/81/25/43/652812543.db2.gz MBFBEZYJFYRFOL-RYUDHWBXSA-N -1 1 386.290 2.063 20 10 GECDMM O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765727917 652850092 /nfs/dbraw/zinc/85/00/92/652850092.db2.gz RBZDBVXVPGOSAE-UHFFFAOYSA-N -1 1 399.191 2.479 20 10 GECDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1-n1cnnn1 ZINC000765746753 652851904 /nfs/dbraw/zinc/85/19/04/652851904.db2.gz IOVGMDWQOQHPKU-UHFFFAOYSA-N -1 1 388.225 2.369 20 10 GECDMM CCc1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765904378 652857232 /nfs/dbraw/zinc/85/72/32/652857232.db2.gz SJJPFECDYLYYNZ-UHFFFAOYSA-N -1 1 384.255 2.429 20 10 GECDMM CCOc1ncccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926636 652857958 /nfs/dbraw/zinc/85/79/58/652857958.db2.gz OFGFWHLRXYFOLY-UHFFFAOYSA-N -1 1 394.225 2.203 20 10 GECDMM COCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000813772944 653615965 /nfs/dbraw/zinc/61/59/65/653615965.db2.gz WBAOJQNCNDJGOO-UHFFFAOYSA-N -1 1 387.274 2.397 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000780763380 653631963 /nfs/dbraw/zinc/63/19/63/653631963.db2.gz ADSYGZATDNHTTC-UHFFFAOYSA-N -1 1 375.328 2.430 20 10 GECDMM CC[C@H](C)NC(=O)CN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781898569 653651402 /nfs/dbraw/zinc/65/14/02/653651402.db2.gz ZVVHRBNHCDANSA-AWEZNQCLSA-N -1 1 398.345 2.495 20 10 GECDMM CC(C)(CCNC(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O ZINC000840427345 653685108 /nfs/dbraw/zinc/68/51/08/653685108.db2.gz DGIRWSKIPFURHV-UHFFFAOYSA-N -1 1 393.303 2.167 20 10 GECDMM O=C(c1cc(NCc2cccc(Br)c2[O-])ccn1)N1CCOCC1 ZINC000882269308 653773701 /nfs/dbraw/zinc/77/37/01/653773701.db2.gz KQHGXUUVHRCYEU-UHFFFAOYSA-N -1 1 392.253 2.056 20 10 GECDMM CCc1csc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000789782923 653781408 /nfs/dbraw/zinc/78/14/08/653781408.db2.gz ONZTZYDDSYHBSP-UHFFFAOYSA-N -1 1 384.255 2.429 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])NCc1ncc2c(n1)CCOC2 ZINC000845351534 653844720 /nfs/dbraw/zinc/84/47/20/653844720.db2.gz PYZPLDYZBIBKTB-UHFFFAOYSA-N -1 1 393.241 2.017 20 10 GECDMM O=C([O-])C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000831057105 654158145 /nfs/dbraw/zinc/15/81/45/654158145.db2.gz BDYYMZVHCBLTHS-UHFFFAOYSA-N -1 1 377.224 2.380 20 10 GECDMM CS(=O)(=O)NCCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890758048 654241505 /nfs/dbraw/zinc/24/15/05/654241505.db2.gz QOCZKGGPTULFMU-UHFFFAOYSA-N -1 1 388.898 2.129 20 10 GECDMM C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)ccc1[O-] ZINC000186054133 532339757 /nfs/dbraw/zinc/33/97/57/532339757.db2.gz BRNIBYINKGKIDR-IINYFYTJSA-N -1 1 379.258 2.344 20 10 GECDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000736186293 599838143 /nfs/dbraw/zinc/83/81/43/599838143.db2.gz ZYMPKLCKGPABFP-LJQANCHMSA-N -1 1 390.480 2.256 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc2F)CC1 ZINC000737117541 600076719 /nfs/dbraw/zinc/07/67/19/600076719.db2.gz WVGLNNLFVOGCBK-QGZVFWFLSA-N -1 1 394.491 2.266 20 10 GECDMM COc1ccnc(N2CCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000738143556 600162435 /nfs/dbraw/zinc/16/24/35/600162435.db2.gz QFGNYBFZYGRIJX-HYXAFXHYSA-N -1 1 384.392 2.423 20 10 GECDMM O=C([O-])C[N@H+](CCn1cnc2ccccc2c1=O)Cc1cc(Cl)ccc1[O-] ZINC000739793658 600318804 /nfs/dbraw/zinc/31/88/04/600318804.db2.gz KGCHNQCTHVVXOC-UHFFFAOYSA-N -1 1 387.823 2.342 20 10 GECDMM O=C([O-])C[N@@H+](CCn1cnc2ccccc2c1=O)Cc1cc(Cl)ccc1[O-] ZINC000739793658 600318806 /nfs/dbraw/zinc/31/88/06/600318806.db2.gz KGCHNQCTHVVXOC-UHFFFAOYSA-N -1 1 387.823 2.342 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2F)CC1 ZINC000739454989 602990081 /nfs/dbraw/zinc/99/00/81/602990081.db2.gz CYEPHZJPRGXWLA-WBVHZDCISA-N -1 1 392.475 2.020 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(N2CCCC2)nn1 ZINC000277389646 646412044 /nfs/dbraw/zinc/41/20/44/646412044.db2.gz AKJWYKRPPGONSN-UHFFFAOYSA-N -1 1 377.242 2.475 20 10 GECDMM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cccc(Br)c1[O-])CS2 ZINC000277564124 646442581 /nfs/dbraw/zinc/44/25/81/646442581.db2.gz PRPTXGSIQRNVGT-IAQYHMDHSA-N -1 1 385.283 2.225 20 10 GECDMM CCn1nc(C)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277580960 646445966 /nfs/dbraw/zinc/44/59/66/646445966.db2.gz UNYSMTLGDDHMPS-UHFFFAOYSA-N -1 1 395.257 2.243 20 10 GECDMM CN(C)C(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277626588 646453264 /nfs/dbraw/zinc/45/32/64/646453264.db2.gz WTSSEALKGMJZMI-UHFFFAOYSA-N -1 1 384.274 2.165 20 10 GECDMM O=C(CNC(=O)NC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000277648569 646457638 /nfs/dbraw/zinc/45/76/38/646457638.db2.gz YQTCFABRBXJLAC-UHFFFAOYSA-N -1 1 384.274 2.403 20 10 GECDMM CC(C)n1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000281218829 646755370 /nfs/dbraw/zinc/75/53/70/646755370.db2.gz ODGBAUGSXNWYRY-UHFFFAOYSA-N -1 1 381.230 2.187 20 10 GECDMM C[S@](=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000281565432 646782677 /nfs/dbraw/zinc/78/26/77/646782677.db2.gz OGPRRIFCUBJJHC-NRFANRHFSA-N -1 1 375.288 2.255 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000765538873 652843182 /nfs/dbraw/zinc/84/31/82/652843182.db2.gz XRAIMSMISGTQRJ-MLGOLLRUSA-N -1 1 385.258 2.292 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000765753592 652852365 /nfs/dbraw/zinc/85/23/65/652852365.db2.gz OCGWITOSRLUMOJ-JTQLQIEISA-N -1 1 395.175 2.324 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(c2cccnc2)=NO1 ZINC000765769309 652853272 /nfs/dbraw/zinc/85/32/72/652853272.db2.gz LLNNEEVBIGJHML-AWEZNQCLSA-N -1 1 376.210 2.359 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1c1ncccn1 ZINC000765771012 652853813 /nfs/dbraw/zinc/85/38/13/652853813.db2.gz VCTXKWPPLFODAZ-ZDUSSCGKSA-N -1 1 377.242 2.230 20 10 GECDMM CC(C)n1nccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926337 652857659 /nfs/dbraw/zinc/85/76/59/652857659.db2.gz LZIMUEUIYLOESF-UHFFFAOYSA-N -1 1 381.230 2.187 20 10 GECDMM O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000784489087 653695861 /nfs/dbraw/zinc/69/58/61/653695861.db2.gz MPCMUGSZKLOLJL-UHFFFAOYSA-N -1 1 397.137 2.203 20 10 GECDMM O=C(NCCNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Br)c1 ZINC000790070593 653786614 /nfs/dbraw/zinc/78/66/14/653786614.db2.gz FPNOLJACBURELT-UHFFFAOYSA-N -1 1 397.200 2.159 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000890757266 654241264 /nfs/dbraw/zinc/24/12/64/654241264.db2.gz AVDXPGWHEFAYAS-UHFFFAOYSA-N -1 1 384.841 2.353 20 10 GECDMM CC(C)CCc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000855190181 654399339 /nfs/dbraw/zinc/39/93/39/654399339.db2.gz SPLTXXCHQWMKGH-UHFFFAOYSA-N -1 1 384.483 2.456 20 10 GECDMM COCCN1C(=O)C(=CNc2ccccc2SC(F)F)C(=O)[N-]C1=S ZINC000060865406 531846357 /nfs/dbraw/zinc/84/63/57/531846357.db2.gz KWTXQJULXVGRHH-HJWRWDBZSA-N -1 1 387.433 2.187 20 10 GECDMM COc1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1O ZINC000737132055 598510805 /nfs/dbraw/zinc/51/08/05/598510805.db2.gz UQPOENSABUOIQA-UHFFFAOYSA-N -1 1 394.391 2.203 20 10 GECDMM COc1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1O ZINC000737132055 598510808 /nfs/dbraw/zinc/51/08/08/598510808.db2.gz UQPOENSABUOIQA-UHFFFAOYSA-N -1 1 394.391 2.203 20 10 GECDMM CCCc1nc([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000829570968 601560358 /nfs/dbraw/zinc/56/03/58/601560358.db2.gz MFKWLBICTRPIDF-ZQMJAJRESA-N -1 1 387.396 2.341 20 10 GECDMM CCCc1n[nH]c([C@H]2CN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CCO2)n1 ZINC000829570968 601560359 /nfs/dbraw/zinc/56/03/59/601560359.db2.gz MFKWLBICTRPIDF-ZQMJAJRESA-N -1 1 387.396 2.341 20 10 GECDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000827226866 603580413 /nfs/dbraw/zinc/58/04/13/603580413.db2.gz AGOQNDJKVSGACR-CVEARBPZSA-N -1 1 392.475 2.020 20 10 GECDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000825254713 604168541 /nfs/dbraw/zinc/16/85/41/604168541.db2.gz OEVTZJMDUQCYAI-WBVHZDCISA-N -1 1 376.501 2.079 20 10 GECDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000822604970 606168711 /nfs/dbraw/zinc/16/87/11/606168711.db2.gz SCQLZVCWQXNFFW-UHFFFAOYSA-N -1 1 394.395 2.133 20 10 GECDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000822604970 606168713 /nfs/dbraw/zinc/16/87/13/606168713.db2.gz SCQLZVCWQXNFFW-UHFFFAOYSA-N -1 1 394.395 2.133 20 10 GECDMM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821660392 606393976 /nfs/dbraw/zinc/39/39/76/606393976.db2.gz PJPSBFTYHMUXFP-YFHOEESVSA-N -1 1 395.491 2.083 20 10 GECDMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1Cl)c1cccc2nsnc21 ZINC000823583425 607123261 /nfs/dbraw/zinc/12/32/61/607123261.db2.gz QLPNWHGZXCNEPP-UHFFFAOYSA-N -1 1 393.841 2.326 20 10 GECDMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000277444761 646421548 /nfs/dbraw/zinc/42/15/48/646421548.db2.gz HIGZZSPYRKHLBS-UHFFFAOYSA-N -1 1 384.479 2.484 20 10 GECDMM O=C(NCCC(=O)N1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000277483414 646429520 /nfs/dbraw/zinc/42/95/20/646429520.db2.gz PUZFPMUHKHRCQJ-UHFFFAOYSA-N -1 1 384.274 2.357 20 10 GECDMM CC(=O)N1CCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000280494632 646687436 /nfs/dbraw/zinc/68/74/36/646687436.db2.gz FQKOYHPWRUVMKX-GFCCVEGCSA-N -1 1 384.274 2.212 20 10 GECDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1 ZINC000727484726 651523057 /nfs/dbraw/zinc/52/30/57/651523057.db2.gz BIPOGXNNWPUVGI-UHFFFAOYSA-N -1 1 378.435 2.468 20 10 GECDMM O=C(NCCCOC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000764782567 652812633 /nfs/dbraw/zinc/81/26/33/652812633.db2.gz FTIXNRCXOVODTB-GFCCVEGCSA-N -1 1 387.274 2.397 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(-n2nccn2)nc1 ZINC000765240458 652833788 /nfs/dbraw/zinc/83/37/88/652833788.db2.gz DIBJFJRWASKIOW-UHFFFAOYSA-N -1 1 389.213 2.452 20 10 GECDMM CC(C)(C)N1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765537690 652843219 /nfs/dbraw/zinc/84/32/19/652843219.db2.gz MMOZNJFUEUQTDD-NSHDSACASA-N -1 1 384.274 2.353 20 10 GECDMM COc1c2cnn(C)c2ncc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751919 652852353 /nfs/dbraw/zinc/85/23/53/652852353.db2.gz UYHFMSIYKPPROF-UHFFFAOYSA-N -1 1 391.225 2.375 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])C(=O)N1CCc2c1cccc2F ZINC000765903265 652857218 /nfs/dbraw/zinc/85/72/18/652857218.db2.gz ISGGMTUTOKKKAX-UHFFFAOYSA-N -1 1 393.212 2.499 20 10 GECDMM COc1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1Cl ZINC000769794612 653177922 /nfs/dbraw/zinc/17/79/22/653177922.db2.gz OGHNRUYXPVSKFN-UHFFFAOYSA-N -1 1 379.833 2.044 20 10 GECDMM CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113959 653219111 /nfs/dbraw/zinc/21/91/11/653219111.db2.gz OCBFDMIJDSJFEU-UHFFFAOYSA-N -1 1 379.818 2.389 20 10 GECDMM CCN(CC)C(=O)CN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781894645 653651205 /nfs/dbraw/zinc/65/12/05/653651205.db2.gz KKTSGKJELGUVJM-UHFFFAOYSA-N -1 1 398.345 2.449 20 10 GECDMM Nc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1-c1ccccn1 ZINC000816496324 653685971 /nfs/dbraw/zinc/68/59/71/653685971.db2.gz FRYOXVVUSRPNRZ-UHFFFAOYSA-N -1 1 388.225 2.248 20 10 GECDMM Cc1nc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000789782466 653781333 /nfs/dbraw/zinc/78/13/33/653781333.db2.gz HCIWJIIVGGYZEA-UHFFFAOYSA-N -1 1 384.255 2.483 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000822459495 653829008 /nfs/dbraw/zinc/82/90/08/653829008.db2.gz WINLCFXSJFKNCN-BDAKNGLRSA-N -1 1 395.175 2.086 20 10 GECDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000867830662 653994685 /nfs/dbraw/zinc/99/46/85/653994685.db2.gz FQIGCFLSRPNFQS-MNOVXSKESA-N -1 1 384.148 2.117 20 10 GECDMM CCOC(=O)c1ccsc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920978975 654231228 /nfs/dbraw/zinc/23/12/28/654231228.db2.gz YOIWHSTWICCGLP-YRNVUSSQSA-N -1 1 381.479 2.120 20 10 GECDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000893776741 654421282 /nfs/dbraw/zinc/42/12/82/654421282.db2.gz YIIRHIHTMMZKMH-LLVKDONJSA-N -1 1 379.766 2.398 20 10 GECDMM CCOC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000935663004 654909602 /nfs/dbraw/zinc/90/96/02/654909602.db2.gz NDSOLPIXVHFKPF-LLVKDONJSA-N -1 1 389.271 2.302 20 10 GECDMM