smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2c(CC(N)=O)cccc2C(=O)c2ccccc2)cc1C(=O)[O-] ZINC001211606276 835402435 /nfs/dbraw/zinc/40/24/35/835402435.db2.gz KXXJIGOEZRZTAA-UHFFFAOYSA-N -1 0 388.423 3.696 20 10 GHCDRM Cc1oc2c(ccc([O-])c2CN2CCOCC2)c(=O)c1-c1ccccc1Cl ZINC000014202679 839181178 /nfs/dbraw/zinc/18/11/78/839181178.db2.gz PVRAUWZLHRCOND-UHFFFAOYSA-N -1 0 385.847 3.960 20 10 GHCDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1csc(-c2ccc(Cl)cc2)n1 ZINC000728700220 839436850 /nfs/dbraw/zinc/43/68/50/839436850.db2.gz ZEKRIPWJVGQZNY-MHWRWJLKSA-N -1 0 381.844 3.925 20 10 GHCDRM COCc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)c1 ZINC000171148524 861639629 /nfs/dbraw/zinc/63/96/29/861639629.db2.gz GIGAJFJPILNBIA-UHFFFAOYSA-N -1 0 386.498 3.856 20 10 GHCDRM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3F)cs2)cc1F ZINC000171155754 861662769 /nfs/dbraw/zinc/66/27/69/861662769.db2.gz ZVRFOEATIJGJIF-UHFFFAOYSA-N -1 0 382.413 3.898 20 10 GHCDRM COc1cccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1OC(C)C ZINC000007166657 854688877 /nfs/dbraw/zinc/68/88/77/854688877.db2.gz KWEKUABEDDFLSM-UVTDQMKNSA-N -1 0 395.502 3.548 20 10 GHCDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000057720330 855632343 /nfs/dbraw/zinc/63/23/43/855632343.db2.gz WFBJQKWTSVWOCA-UHFFFAOYSA-N -1 0 376.434 3.953 20 10 GHCDRM C[C@H]1COCCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000775706371 873006777 /nfs/dbraw/zinc/00/67/77/873006777.db2.gz PLGQZWONWZVVOT-VIFPVBQESA-N -1 0 379.092 3.528 20 10 GHCDRM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(C)n1-c1ccccc1C ZINC000727105285 859938717 /nfs/dbraw/zinc/93/87/17/859938717.db2.gz OCAQYMLWFTUTAN-UHFFFAOYSA-N -1 0 388.427 3.998 20 10 GHCDRM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nc(-c4ccccc4)c(C)s3)cc12 ZINC000727243849 860011158 /nfs/dbraw/zinc/01/11/58/860011158.db2.gz GGTHHRROESTFAQ-UHFFFAOYSA-N -1 0 399.501 3.509 20 10 GHCDRM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000920041916 881500273 /nfs/dbraw/zinc/50/02/73/881500273.db2.gz UYRIFABDBGNYFK-UHFFFAOYSA-N -1 0 397.459 3.589 20 10 GHCDRM Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c(C)n1-c1ccc(F)cc1 ZINC000727750159 860215548 /nfs/dbraw/zinc/21/55/48/860215548.db2.gz VHSGHVBJTNRCGQ-UHFFFAOYSA-N -1 0 392.390 3.829 20 10 GHCDRM Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)cc2=O)cc1 ZINC000742246075 867156160 /nfs/dbraw/zinc/15/61/60/867156160.db2.gz GEYIRCZQLTWIIS-UHFFFAOYSA-N -1 0 392.503 3.591 20 10 GHCDRM COc1ccc(-c2nc([N-]S(=O)(=O)c3cnn(C(C)C)c3)sc2C)cc1 ZINC000743045696 867779206 /nfs/dbraw/zinc/77/92/06/867779206.db2.gz UGEBIRXFRCVKES-UHFFFAOYSA-N -1 0 392.506 3.705 20 10 GHCDRM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(O)c([O-])c(Cl)c1 ZINC001193633659 871199634 /nfs/dbraw/zinc/19/96/34/871199634.db2.gz DJHABUBPYDOKAR-GFCCVEGCSA-N -1 0 376.623 3.521 20 10 GHCDRM COc1ccccc1CC1(CNC(=O)c2cc(O)c([O-])c(Cl)c2)CCC1 ZINC001193633841 871200423 /nfs/dbraw/zinc/20/04/23/871200423.db2.gz IQIXXHFJOJMZGC-UHFFFAOYSA-N -1 0 375.852 3.903 20 10 GHCDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(-c3ccc(C)s3)cs2)c1 ZINC000069901389 871693876 /nfs/dbraw/zinc/69/38/76/871693876.db2.gz OQDJEKONNSANKJ-UHFFFAOYSA-N -1 0 396.515 3.998 20 10 GHCDRM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194431025 871712237 /nfs/dbraw/zinc/71/22/37/871712237.db2.gz BJBPTGZGSGAGNM-UHFFFAOYSA-N -1 0 391.832 3.786 20 10 GHCDRM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1cccc2c1OCCO2 ZINC000741136105 872277710 /nfs/dbraw/zinc/27/77/10/872277710.db2.gz DQDCHDVVEPPNHX-UHFFFAOYSA-N -1 0 388.489 3.639 20 10 GHCDRM [O-]c1c(F)cc(Cl)cc1CN1CCN(c2ncnc3ccsc32)CC1 ZINC000775691177 872965553 /nfs/dbraw/zinc/96/55/53/872965553.db2.gz VLCRJWZZQMBVCQ-UHFFFAOYSA-N -1 0 378.860 3.512 20 10 GHCDRM CCn1cc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)c(C)s2)nc1C ZINC000768011284 873011387 /nfs/dbraw/zinc/01/13/87/873011387.db2.gz LSKPLYAXSVNYLZ-UHFFFAOYSA-N -1 0 380.470 3.583 20 10 GHCDRM CCc1ccc(-c2csc([N-]S(=O)(=O)c3cn(CC)c(C)n3)n2)s1 ZINC000768011963 873024292 /nfs/dbraw/zinc/02/42/92/873024292.db2.gz SAKVCLJEGJJQKT-UHFFFAOYSA-N -1 0 382.536 3.760 20 10 GHCDRM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769601759 874188538 /nfs/dbraw/zinc/18/85/38/874188538.db2.gz KKCNFQICNDHQID-WFASDCNBSA-N -1 0 394.518 3.563 20 10 GHCDRM CCn1nccc1S(=O)(=O)[N-]c1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000769846946 874323247 /nfs/dbraw/zinc/32/32/47/874323247.db2.gz RNDOVDYUAMVOIE-UHFFFAOYSA-N -1 0 376.507 3.753 20 10 GHCDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769931484 874373181 /nfs/dbraw/zinc/37/31/81/874373181.db2.gz JEGKRASIEGIYHW-OCCSQVGLSA-N -1 0 394.518 3.515 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850763842 877152398 /nfs/dbraw/zinc/15/23/98/877152398.db2.gz GXXLWEDKFJSQCY-INIZCTEOSA-N -1 0 396.274 3.682 20 10 GHCDRM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000179541457 877694212 /nfs/dbraw/zinc/69/42/12/877694212.db2.gz QZPPEQGXDDXQCO-STQMWFEESA-N -1 0 394.518 3.658 20 10 GHCDRM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(F)c(F)c2F)SC1=S ZINC000853001616 878745529 /nfs/dbraw/zinc/74/55/29/878745529.db2.gz VRRSIEANDUXSBM-FLIBITNWSA-N -1 0 389.420 3.950 20 10 GHCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000790408680 879687036 /nfs/dbraw/zinc/68/70/36/879687036.db2.gz GLKFRPFJKKXULN-UHFFFAOYSA-N -1 0 392.296 3.724 20 10 GHCDRM CC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001203568177 912501531 /nfs/dbraw/zinc/50/15/31/912501531.db2.gz DNVZZURIEFXEHY-SNVBAGLBSA-N -1 0 391.103 3.718 20 10 GHCDRM O=C1CSc2ccc(NCc3cc([N+](=O)[O-])ccc3[O-])cc2N1CC(F)F ZINC000790619811 879890236 /nfs/dbraw/zinc/89/02/36/879890236.db2.gz TUQRMWGLDGBNHB-UHFFFAOYSA-N -1 0 395.387 3.616 20 10 GHCDRM Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc(C(=O)[O-])c1Cl ZINC000776748798 879923812 /nfs/dbraw/zinc/92/38/12/879923812.db2.gz IKGXKMLVVPRSOB-UHFFFAOYSA-N -1 0 376.217 3.506 20 10 GHCDRM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000792170707 880960406 /nfs/dbraw/zinc/96/04/06/880960406.db2.gz WDFGIWJCGLHHES-INIZCTEOSA-N -1 0 391.748 3.948 20 10 GHCDRM Cc1cc2c(ncnc2N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)s1 ZINC000792180752 880968137 /nfs/dbraw/zinc/96/81/37/880968137.db2.gz SZHNTUWSSDQBAA-UHFFFAOYSA-N -1 0 392.887 3.820 20 10 GHCDRM O=C(NCc1ccnc(N2CCCC2)c1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804902986 883467102 /nfs/dbraw/zinc/46/71/02/883467102.db2.gz ZHWBUCQBRBBZOJ-UHFFFAOYSA-N -1 0 395.290 3.694 20 10 GHCDRM CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1c(C)nn(C)c1C ZINC000805161394 883606594 /nfs/dbraw/zinc/60/65/94/883606594.db2.gz PMTYWJBVRORZFT-AWEZNQCLSA-N -1 0 385.295 4.000 20 10 GHCDRM CCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000805135783 883615461 /nfs/dbraw/zinc/61/54/61/883615461.db2.gz TWWHVGWUMMHAFN-UHFFFAOYSA-N -1 0 376.261 3.576 20 10 GHCDRM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806823573 885036220 /nfs/dbraw/zinc/03/62/20/885036220.db2.gz XJQFWFGMXMJNOB-OAHLLOKOSA-N -1 0 381.263 3.674 20 10 GHCDRM O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840283 885771300 /nfs/dbraw/zinc/77/13/00/885771300.db2.gz WVHZPXQWLYYBKU-LBPRGKRZSA-N -1 0 393.270 3.906 20 10 GHCDRM COCCOC1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000807837210 885802380 /nfs/dbraw/zinc/80/23/80/885802380.db2.gz HCQDAUPXOHCURO-UHFFFAOYSA-N -1 0 376.280 3.537 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000807838536 885804199 /nfs/dbraw/zinc/80/41/99/885804199.db2.gz WHOVGEGSQZVWHC-UHFFFAOYSA-N -1 0 390.226 3.792 20 10 GHCDRM COc1cc(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc(OC)c1 ZINC000807839807 885805582 /nfs/dbraw/zinc/80/55/82/885805582.db2.gz RCUAFBIFQOUABT-UHFFFAOYSA-N -1 0 384.259 3.965 20 10 GHCDRM COc1ccc(C(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1Cl ZINC000807839185 885806218 /nfs/dbraw/zinc/80/62/18/885806218.db2.gz JQJYGSNQHBXEPE-UHFFFAOYSA-N -1 0 388.634 3.860 20 10 GHCDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3C)cs2)cc1 ZINC000915222452 886072143 /nfs/dbraw/zinc/07/21/43/886072143.db2.gz UIVBTZAQTAJPKO-UHFFFAOYSA-N -1 0 388.470 3.706 20 10 GHCDRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)N1CCc2cccc(O)c2C1 ZINC001184120233 913039162 /nfs/dbraw/zinc/03/91/62/913039162.db2.gz PUUCKDQUNCNSNZ-UHFFFAOYSA-N -1 0 385.847 3.553 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000811528236 889681932 /nfs/dbraw/zinc/68/19/32/889681932.db2.gz AZTGZFYAQUUJQP-ZFWWWQNUSA-N -1 0 380.227 3.620 20 10 GHCDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811702600 889907156 /nfs/dbraw/zinc/90/71/56/889907156.db2.gz DLHRZTIQLZETLI-UHFFFAOYSA-N -1 0 379.478 3.743 20 10 GHCDRM CCc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(N(C)C)nc3)n2)s1 ZINC000811823250 890039361 /nfs/dbraw/zinc/03/93/61/890039361.db2.gz UMTKWTQTWFVWMB-UHFFFAOYSA-N -1 0 394.547 3.696 20 10 GHCDRM CSc1ncc2ccc(NCc3cc(Cl)c4cccnc4c3O)nc2n1 ZINC001168521735 890248612 /nfs/dbraw/zinc/24/86/12/890248612.db2.gz IMIBLAPVPWCOBT-UHFFFAOYSA-N -1 0 383.864 3.640 20 10 GHCDRM CN(Cc1ccn(-c2ccccc2)n1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000917090441 891088058 /nfs/dbraw/zinc/08/80/58/891088058.db2.gz PVXNIECKKSSKBE-CSKARUKUSA-N -1 0 378.388 3.515 20 10 GHCDRM CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287753749 913522529 /nfs/dbraw/zinc/52/25/29/913522529.db2.gz QKYXVSUFJVBLTK-OAHLLOKOSA-N -1 0 383.279 3.737 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000813682304 891874743 /nfs/dbraw/zinc/87/47/43/891874743.db2.gz BBCOFYWWUCMEQS-CQSZACIVSA-N -1 0 397.258 3.603 20 10 GHCDRM O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1cnc(Cl)c(Cl)c1 ZINC000127261239 894487427 /nfs/dbraw/zinc/48/74/27/894487427.db2.gz HOSZNYUWPJMTSO-UHFFFAOYSA-N -1 0 376.246 3.906 20 10 GHCDRM CC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c(F)c1 ZINC000816482337 894849983 /nfs/dbraw/zinc/84/99/83/894849983.db2.gz BWDTVDOAUCWNLP-UHFFFAOYSA-N -1 0 380.822 3.849 20 10 GHCDRM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185639583 914004223 /nfs/dbraw/zinc/00/42/23/914004223.db2.gz DXBRXUNWRYRWKZ-UHFFFAOYSA-N -1 0 390.823 3.906 20 10 GHCDRM Cc1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000823344609 898975574 /nfs/dbraw/zinc/97/55/74/898975574.db2.gz HCUDBAQRDXPZEO-FQEVSTJZSA-N -1 0 390.867 3.501 20 10 GHCDRM O=C([O-])/C=C/c1ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000844219805 900586212 /nfs/dbraw/zinc/58/62/12/900586212.db2.gz WQYMSUYQIOUGHS-DYLHUKMJSA-N -1 0 396.447 3.609 20 10 GHCDRM Cc1cccc(CC2(O)CCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000844216757 900612763 /nfs/dbraw/zinc/61/27/63/900612763.db2.gz GUOZNOCBNNQBSE-SOFGYWHQSA-N -1 0 396.443 3.575 20 10 GHCDRM O=C(Nc1cccc2c(Br)c[nH]c21)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887772 903891648 /nfs/dbraw/zinc/89/16/48/903891648.db2.gz SDTNNAOZXFMJHY-UHFFFAOYSA-N -1 0 397.232 3.662 20 10 GHCDRM COc1cc(S(=O)(=O)[N-]c2nc(-c3cc(C)oc3C)cs2)ccc1F ZINC000190981068 906502201 /nfs/dbraw/zinc/50/22/01/906502201.db2.gz GHERHDFDJHEKOG-UHFFFAOYSA-N -1 0 382.438 3.968 20 10 GHCDRM CCOc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3C)cs2)cn1 ZINC000781647090 907611556 /nfs/dbraw/zinc/61/15/56/907611556.db2.gz RNCGLOAQXAOVNQ-UHFFFAOYSA-N -1 0 375.475 3.713 20 10 GHCDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)COc2ccccc2-3)cc1F ZINC000192893668 907999789 /nfs/dbraw/zinc/99/97/89/907999789.db2.gz QIFZIJBYPRMPHH-UHFFFAOYSA-N -1 0 392.433 3.651 20 10 GHCDRM Cc1cc(-c2csc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)c(C)o1 ZINC000194356426 908874726 /nfs/dbraw/zinc/87/47/26/908874726.db2.gz IOGFSVUMHNCOSJ-UHFFFAOYSA-N -1 0 392.458 3.592 20 10 GHCDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)c(F)c1 ZINC000795611770 911415569 /nfs/dbraw/zinc/41/55/69/911415569.db2.gz TYYKCQDBBMFWBO-UHFFFAOYSA-N -1 0 398.462 3.598 20 10 GHCDRM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(O)c3O)c2o1 ZINC001188187146 915800981 /nfs/dbraw/zinc/80/09/81/915800981.db2.gz XZNFGHLLKHDFLM-UHFFFAOYSA-N -1 0 396.852 3.991 20 10 GHCDRM Cc1nn(C(C)C)cc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000798345510 932607611 /nfs/dbraw/zinc/60/76/11/932607611.db2.gz VMTMOGBHYJEZEI-NVNXTCNLSA-N -1 0 387.486 3.876 20 10 GHCDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)cc1 ZINC000777665535 932768545 /nfs/dbraw/zinc/76/85/45/932768545.db2.gz IZCMVSXJGSUWTN-UHFFFAOYSA-N -1 0 395.487 3.851 20 10 GHCDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC001589595447 949139534 /nfs/dbraw/zinc/13/95/34/949139534.db2.gz XVNGABXYADSQTG-JOCHJYFZSA-N -1 0 387.524 3.709 20 10 GHCDRM Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001605122196 972782957 /nfs/dbraw/zinc/78/29/57/972782957.db2.gz GSNMURFQWQVCKF-LJQANCHMSA-N -1 0 397.862 3.568 20 10 GHCDRM COc1ccc(N(Cc2ccc(C(C)C)cc2)[C@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC001604809584 974047372 /nfs/dbraw/zinc/04/73/72/974047372.db2.gz LOUGUABRJSCJGJ-NRFANRHFSA-N -1 0 396.487 3.511 20 10 GHCDRM CCN(CC)c1ccc(CN(C)C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC001596289988 983710718 /nfs/dbraw/zinc/71/07/18/983710718.db2.gz UYVNDYBTVQYOHO-UHFFFAOYSA-N -1 0 383.492 3.615 20 10 GHCDRM CC(C)(C)c1ccc(CCNC(=O)CSc2ncc(C(=O)[O-])s2)cc1 ZINC001590484961 990081314 /nfs/dbraw/zinc/08/13/14/990081314.db2.gz LPGFYLHAVFQXQZ-UHFFFAOYSA-N -1 0 378.519 3.590 20 10 GHCDRM CN(C)c1ccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c(C(F)(F)F)c1 ZINC001598317359 991302371 /nfs/dbraw/zinc/30/23/71/991302371.db2.gz DDBLYPILJFQECR-QGZVFWFLSA-N -1 0 398.356 3.763 20 10 GHCDRM CN(C)c1ccc(OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1C(=O)[O-] ZINC001598328469 991349959 /nfs/dbraw/zinc/34/99/59/991349959.db2.gz NXMPEKQYTKDENJ-SFHVURJKSA-N -1 0 390.505 3.795 20 10 GHCDRM CN(C)c1ccc(OCC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1C(=O)[O-] ZINC001598328468 991350171 /nfs/dbraw/zinc/35/01/71/991350171.db2.gz NXMPEKQYTKDENJ-GOSISDBHSA-N -1 0 390.505 3.795 20 10 GHCDRM CC(C)[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)N1c2ccccc2C[C@H]1C ZINC001591052496 991460442 /nfs/dbraw/zinc/46/04/42/991460442.db2.gz 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COc1cc(C(=O)[O-])ccc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001599370362 998400593 /nfs/dbraw/zinc/40/05/93/998400593.db2.gz HTFGYOAJBBRVRB-UHFFFAOYSA-N -1 0 378.428 3.982 20 10 GHCDRM COC(=O)c1ccc(CN(C)c2ccc(OCC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001598972232 998539141 /nfs/dbraw/zinc/53/91/41/998539141.db2.gz NGDJAJQAQOVQHT-UHFFFAOYSA-N -1 0 397.349 3.592 20 10 GHCDRM COC[C@H](NC(=O)NCc1c(O)cccc1F)c1cccc(C(F)(F)F)c1 ZINC001227394317 1032401882 /nfs/dbraw/zinc/40/18/82/1032401882.db2.gz LNSAORMLSHCIMN-HNNXBMFYSA-N -1 0 386.345 3.737 20 10 GHCDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C(C)C)C(F)(F)F)c1[O-] ZINC001227494218 1032440780 /nfs/dbraw/zinc/44/07/80/1032440780.db2.gz TWMNRWPOURSPFG-LBPRGKRZSA-N -1 0 384.372 3.773 20 10 GHCDRM C[C@@H](Oc1c(=O)c2ccc([O-])cc2oc1-c1ccc(O)c(O)c1)C1CCOCC1 ZINC001228364968 1032907223 /nfs/dbraw/zinc/90/72/23/1032907223.db2.gz DTLQLRVGACJKTM-GFCCVEGCSA-N -1 0 398.411 3.771 20 10 GHCDRM CCCOC[C@H](C)Oc1c(=O)c2ccc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001228369431 1032908860 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Cc1c(C)c([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)ccc1O ZINC001260330387 1045464259 /nfs/dbraw/zinc/46/42/59/1045464259.db2.gz RMQNRQYITUVKIN-UHFFFAOYSA-N -1 0 392.221 3.851 20 10 GHCDRM C[C@@H]1CCc2sc([N-]S(=O)(=O)Cc3ccccc3Cl)c(C(N)=O)c2C1 ZINC001260690829 1045610973 /nfs/dbraw/zinc/61/09/73/1045610973.db2.gz XVWHPJQYTZUFHH-SNVBAGLBSA-N -1 0 398.937 3.567 20 10 GHCDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001261029594 1045853883 /nfs/dbraw/zinc/85/38/83/1045853883.db2.gz GIIAPOOJFLFKJR-UHFFFAOYSA-N -1 0 389.864 3.712 20 10 GHCDRM CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072935 1045889079 /nfs/dbraw/zinc/88/90/79/1045889079.db2.gz LBIDXJYKXZYVLA-UHFFFAOYSA-N -1 0 386.216 3.533 20 10 GHCDRM CCn1c(C)cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1C ZINC000728287668 1048241865 /nfs/dbraw/zinc/24/18/65/1048241865.db2.gz VPRPAPNAVUCYKR-RVDMUPIBSA-N -1 0 380.535 3.971 20 10 GHCDRM Cc1cccc2c1C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])CO2 ZINC001313059147 1052946559 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20 10 GHCDRM COc1ccc(N(CC(=O)[O-])CC(=O)Nc2cccc(C(F)(F)F)c2C)cc1 ZINC000853005416 878748728 /nfs/dbraw/zinc/74/87/28/878748728.db2.gz IPANRWDJTKMKHU-UHFFFAOYSA-N -1 0 396.365 3.552 20 10 GHCDRM Cc1nc(NC(=O)c2c(F)ccc(O)c2[O-])sc1Cc1ccccc1F ZINC000790069099 879413632 /nfs/dbraw/zinc/41/36/32/879413632.db2.gz JDIKXCWWNVUNSY-UHFFFAOYSA-N -1 0 376.384 3.984 20 10 GHCDRM CCN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cn1 ZINC000790101704 879466718 /nfs/dbraw/zinc/46/67/18/879466718.db2.gz RJQMZBMOEJUBEJ-DHDCSXOGSA-N -1 0 399.497 3.642 20 10 GHCDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000790418617 879700147 /nfs/dbraw/zinc/70/01/47/879700147.db2.gz YASIZBNMRPBVDP-UHFFFAOYSA-N -1 0 399.896 3.824 20 10 GHCDRM O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1ccc(OC(F)F)c(F)c1 ZINC000790477393 879751535 /nfs/dbraw/zinc/75/15/35/879751535.db2.gz FEQJVYUQJAHICJ-UHFFFAOYSA-N -1 0 390.364 3.944 20 10 GHCDRM O=C(c1ccc(Cl)cc1)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162923 880951478 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CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000761996447 885128967 /nfs/dbraw/zinc/12/89/67/885128967.db2.gz UYVVZFOBLZKMSS-UHFFFAOYSA-N -1 0 386.813 3.542 20 10 GHCDRM CSc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513375 885497888 /nfs/dbraw/zinc/49/78/88/885497888.db2.gz MREWWTCQTJHURZ-UHFFFAOYSA-N -1 0 385.272 3.676 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000807512658 885498152 /nfs/dbraw/zinc/49/81/52/885498152.db2.gz CEERZNXAZBDZME-UHFFFAOYSA-N -1 0 391.613 3.746 20 10 GHCDRM CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513024 885498224 /nfs/dbraw/zinc/49/82/24/885498224.db2.gz PNRFWLIDKDOZCI-UHFFFAOYSA-N -1 0 397.258 3.741 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc(Cl)c1F ZINC000807513877 885498593 /nfs/dbraw/zinc/49/85/93/885498593.db2.gz XUTQWMAGVRORCT-UHFFFAOYSA-N -1 0 391.613 3.746 20 10 GHCDRM O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807834782 885799037 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Cc1nn(C)cc1S(=O)(=O)[N-]c1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000808525910 886459554 /nfs/dbraw/zinc/45/95/54/886459554.db2.gz IENVZTWCXUKHJM-UHFFFAOYSA-N -1 0 390.446 3.506 20 10 GHCDRM O=S(=O)([N-]c1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(F)c1 ZINC000812561835 890751911 /nfs/dbraw/zinc/75/19/11/890751911.db2.gz YLXNNQMTRMFVEB-UHFFFAOYSA-N -1 0 376.434 3.685 20 10 GHCDRM Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)nc1-c1ccccc1 ZINC000917846935 892681677 /nfs/dbraw/zinc/68/16/77/892681677.db2.gz IPTQBDGCXXGFCM-UHFFFAOYSA-N -1 0 386.454 3.590 20 10 GHCDRM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)cc1 ZINC000748010421 894023323 /nfs/dbraw/zinc/02/33/23/894023323.db2.gz OCPPSWVNURZSJA-UHFFFAOYSA-N -1 0 388.470 3.815 20 10 GHCDRM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000826042067 894347015 /nfs/dbraw/zinc/34/70/15/894347015.db2.gz SNNBLTJKCFQLCQ-UHFFFAOYSA-N -1 0 394.240 3.803 20 10 GHCDRM Cc1cccc(NC(=O)N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)c1 ZINC000816499135 894878252 /nfs/dbraw/zinc/87/82/52/894878252.db2.gz GQHPSDFRJWUOIV-UHFFFAOYSA-N -1 0 377.847 3.843 20 10 GHCDRM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000816565508 894947291 /nfs/dbraw/zinc/94/72/91/894947291.db2.gz QWSDUAPYKZJEDM-MRXNPFEDSA-N -1 0 389.814 3.808 20 10 GHCDRM CN(c1ccc(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1)C1CCCCC1 ZINC000816907632 895195592 /nfs/dbraw/zinc/19/55/92/895195592.db2.gz BHAHXSHARYZIIC-UHFFFAOYSA-N -1 0 380.448 3.627 20 10 GHCDRM Cc1ccc(NC2=NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)S2)c(C)c1 ZINC000210430455 895358784 /nfs/dbraw/zinc/35/87/84/895358784.db2.gz QYTVYVIPHBRURK-YVLHZVERSA-N -1 0 382.441 3.849 20 10 GHCDRM CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)ccc1O ZINC000882799011 896999666 /nfs/dbraw/zinc/99/96/66/896999666.db2.gz MDHYQBDGVDGSEQ-UHFFFAOYSA-N -1 0 396.896 3.672 20 10 GHCDRM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(F)c(F)c([O-])c1F ZINC000820006205 897081800 /nfs/dbraw/zinc/08/18/00/897081800.db2.gz NMTMAZQWUVLQCR-UHFFFAOYSA-N -1 0 384.317 3.772 20 10 GHCDRM Cc1cc(CNC(=O)OC(C)(C)C)cc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000822438868 898368602 /nfs/dbraw/zinc/36/86/02/898368602.db2.gz XPVBYTJEOMPMSC-UHFFFAOYSA-N -1 0 390.411 3.822 20 10 GHCDRM CC(C)(C)OC(=O)NCC[C@H](NCc1cc(Cl)cc(F)c1[O-])C(F)F ZINC000824673711 899757493 /nfs/dbraw/zinc/75/74/93/899757493.db2.gz WLCASWISJZGLSP-LBPRGKRZSA-N -1 0 382.810 3.823 20 10 GHCDRM CC1CCN(c2cccc(NC(=O)c3cccc(-c4nc(=O)o[n-]4)c3)c2)CC1 ZINC001147433403 903779431 /nfs/dbraw/zinc/77/94/31/903779431.db2.gz VUKSSWVMGDCVIK-UHFFFAOYSA-N -1 0 378.432 3.519 20 10 GHCDRM CCC(CC)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC001147519085 903808128 /nfs/dbraw/zinc/80/81/28/903808128.db2.gz NXVVSOOMBAMTAA-LJQANCHMSA-N -1 0 390.505 3.671 20 10 GHCDRM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cnc(C2CCC2)s1)CC3 ZINC000579661487 904786797 /nfs/dbraw/zinc/78/67/97/904786797.db2.gz SFEVYXNKEONISG-WQLSENKSSA-N -1 0 379.441 3.763 20 10 GHCDRM COc1ccc(N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1OCC(=O)NC1CC1 ZINC000187841757 908145570 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COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000013776376 919328973 /nfs/dbraw/zinc/32/89/73/919328973.db2.gz IRCPPACQBUIBNT-UHFFFAOYSA-N -1 0 391.430 3.528 20 10 GHCDRM COC(=O)CN(Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21)C1CC1 ZINC000751951360 928505052 /nfs/dbraw/zinc/50/50/52/928505052.db2.gz CEDIHILPNZSTMI-UHFFFAOYSA-N -1 0 393.439 3.611 20 10 GHCDRM Cc1ccc(N2CCOCC2)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000797469714 932294700 /nfs/dbraw/zinc/29/47/00/932294700.db2.gz XOVNDGNFSZRKJZ-UHFFFAOYSA-N -1 0 377.828 3.711 20 10 GHCDRM Cc1ccc(NC(=O)N(C)C)cc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000797892725 932446502 /nfs/dbraw/zinc/44/65/02/932446502.db2.gz RTOGRLDUUMHRHA-UHFFFAOYSA-N -1 0 378.816 3.968 20 10 GHCDRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccc(N2CCOCC2)cc1 ZINC000799891113 933154103 /nfs/dbraw/zinc/15/41/03/933154103.db2.gz AHNOSEGWLJEBPP-DHZHZOJOSA-N -1 0 387.439 3.849 20 10 GHCDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001261502193 960734114 /nfs/dbraw/zinc/73/41/14/960734114.db2.gz BTZNSUKPVSAOCL-TUPIDYKKSA-N -1 0 392.415 3.953 20 10 GHCDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC001603363296 972840031 /nfs/dbraw/zinc/84/00/31/972840031.db2.gz UOVQBEWMVKRWCN-AEFFLSMTSA-N -1 0 387.524 3.708 20 10 GHCDRM Cc1cc(CCNC(=O)c2ccc(OCC(=O)[O-])cc2)c(C)n1-c1ccccc1 ZINC001605166018 972866124 /nfs/dbraw/zinc/86/61/24/972866124.db2.gz TYFDFYGPERUWJC-UHFFFAOYSA-N -1 0 392.455 3.530 20 10 GHCDRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(=O)N(C)c4ccccc43)c2C(=O)[O-])C1 ZINC001603434804 973199977 /nfs/dbraw/zinc/19/99/77/973199977.db2.gz SXQAHGWIZBGXMX-RISCZKNCSA-N -1 0 398.484 3.660 20 10 GHCDRM COc1ccc(N(Cc2ccc(C(C)C)cc2)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC001604809585 974047358 /nfs/dbraw/zinc/04/73/58/974047358.db2.gz LOUGUABRJSCJGJ-OAQYLSRUSA-N -1 0 396.487 3.511 20 10 GHCDRM CCc1[nH]c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1C(=O)[O-] ZINC000737240813 978390418 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GHCDRM CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001598318273 991314219 /nfs/dbraw/zinc/31/42/19/991314219.db2.gz UPEJACJQAHXDRO-FXAWDEMLSA-N -1 0 399.491 3.701 20 10 GHCDRM CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2Br)cc1 ZINC001598320662 991318536 /nfs/dbraw/zinc/31/85/36/991318536.db2.gz LJBCZKSKPAQELM-UHFFFAOYSA-N -1 0 392.253 3.535 20 10 GHCDRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC001599489548 996913701 /nfs/dbraw/zinc/91/37/01/996913701.db2.gz KVKVQQFNIQFILU-UHFFFAOYSA-N -1 0 378.428 3.982 20 10 GHCDRM C[C@@H]1CC[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001227460671 1032428963 /nfs/dbraw/zinc/42/89/63/1032428963.db2.gz IXOGASCWOBSZPO-ZWNOBZJWSA-N -1 0 384.384 3.850 20 10 GHCDRM O=c1cc(-c2ccccc2)oc2cc([O-])c(O)c(O[C@@H]3CCn4ccnc43)c12 ZINC001227506248 1032444706 /nfs/dbraw/zinc/44/47/06/1032444706.db2.gz RUWGUQYPWJZWQR-OAHLLOKOSA-N -1 0 376.368 3.592 20 10 GHCDRM 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GHCDRM Cc1nnc(-c2ccccc2C(=O)NCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000813686051 891876504 /nfs/dbraw/zinc/87/65/04/891876504.db2.gz WYWFZGWDCDRDGI-UHFFFAOYSA-N -1 0 378.215 3.987 20 10 GHCDRM CCc1ccc(-c2csc([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)n2)cc1 ZINC000917845970 892679560 /nfs/dbraw/zinc/67/95/60/892679560.db2.gz HCZGUKVBTIUVSY-UHFFFAOYSA-N -1 0 396.925 3.869 20 10 GHCDRM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c2cccnc12 ZINC000917898414 892759917 /nfs/dbraw/zinc/75/99/17/892759917.db2.gz WLGPNSRZMLROIP-UHFFFAOYSA-N -1 0 387.442 3.761 20 10 GHCDRM C[C@@H]1CCC[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1 ZINC000748025126 894176966 /nfs/dbraw/zinc/17/69/66/894176966.db2.gz SURFKEBPEOYFMU-OLZOCXBDSA-N -1 0 394.518 3.563 20 10 GHCDRM CCOc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)c(Cl)cn1 ZINC001185530904 913943022 /nfs/dbraw/zinc/94/30/22/913943022.db2.gz ISKQPKURTVLAGN-UHFFFAOYSA-N -1 0 392.242 3.971 20 10 GHCDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)ccc1F ZINC000132172846 897705618 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O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cccc(N2CCOC2=O)c1 ZINC000806199401 884439370 /nfs/dbraw/zinc/43/93/70/884439370.db2.gz YTNXWCZVUYVNOL-UHFFFAOYSA-N -1 0 396.230 3.977 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1cccc(N2CCC2=O)c1 ZINC000806498584 884744923 /nfs/dbraw/zinc/74/49/23/884744923.db2.gz MRGPYWOGBIIQNM-UHFFFAOYSA-N -1 0 380.231 3.757 20 10 GHCDRM [O-]c1c(Cl)cc(Cl)cc1CNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000806599423 884841245 /nfs/dbraw/zinc/84/12/45/884841245.db2.gz RSCJEKTZRBMMDJ-UHFFFAOYSA-N -1 0 385.272 3.957 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000807513226 885498654 /nfs/dbraw/zinc/49/86/54/885498654.db2.gz UZKXVVQDKGIVIP-UHFFFAOYSA-N -1 0 397.233 3.970 20 10 GHCDRM COc1ccc2c(c1)OC[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000807839833 885771278 /nfs/dbraw/zinc/77/12/78/885771278.db2.gz RQGKLFMYIQLRQA-GFCCVEGCSA-N -1 0 382.243 3.575 20 10 GHCDRM C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000807841081 885773476 /nfs/dbraw/zinc/77/34/76/885773476.db2.gz QYWHLUGCEOXJFH-ZJUUUORDSA-N -1 0 391.295 3.865 20 10 GHCDRM COc1ccc2c(c1)OC[C@H]2CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837382 885802792 /nfs/dbraw/zinc/80/27/92/885802792.db2.gz NVJPIGOAPOIRCA-LLVKDONJSA-N -1 0 382.243 3.890 20 10 GHCDRM CC(=O)c1cccc(O[C@H](C)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807837994 885804566 /nfs/dbraw/zinc/80/45/66/885804566.db2.gz IPEYORQDWRXRAV-LLVKDONJSA-N -1 0 382.243 3.985 20 10 GHCDRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000807839321 885805603 /nfs/dbraw/zinc/80/56/03/885805603.db2.gz BXILNCNPTFZKHX-VXGBXAGGSA-N -1 0 387.307 3.600 20 10 GHCDRM COc1ccc2c(c1)C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CO2 ZINC000807839152 885805639 /nfs/dbraw/zinc/80/56/39/885805639.db2.gz XYHCBTTUUFEDFB-LBPRGKRZSA-N -1 0 382.243 3.575 20 10 GHCDRM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000807839493 885806168 /nfs/dbraw/zinc/80/61/68/885806168.db2.gz NVZHVDPUEAWWMA-NSHDSACASA-N -1 0 387.307 3.600 20 10 GHCDRM O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)C1CC2(C1)CC(F)(F)C2 ZINC001184202602 913068094 /nfs/dbraw/zinc/06/80/94/913068094.db2.gz QAUGFKVUISJMJW-UHFFFAOYSA-N -1 0 397.377 3.932 20 10 GHCDRM CC(C)NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000863985365 887499171 /nfs/dbraw/zinc/49/91/71/887499171.db2.gz WUFTXQAUISKPQW-UHFFFAOYSA-N -1 0 389.304 3.998 20 10 GHCDRM CC(=O)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000809785855 887839384 /nfs/dbraw/zinc/83/93/84/887839384.db2.gz FLEVKDGJCVCWPP-UHFFFAOYSA-N -1 0 375.812 3.717 20 10 GHCDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000916093217 888698674 /nfs/dbraw/zinc/69/86/74/888698674.db2.gz IAVADPXVHWMQEY-UHFFFAOYSA-N -1 0 397.384 3.797 20 10 GHCDRM COc1ccc(-c2csc([N-]S(=O)(=O)c3c(F)cccc3F)n2)cc1 ZINC000916102169 888722922 /nfs/dbraw/zinc/72/29/22/888722922.db2.gz VLKROIHUSJQHBH-UHFFFAOYSA-N -1 0 382.413 3.898 20 10 GHCDRM COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000811702355 889907544 /nfs/dbraw/zinc/90/75/44/889907544.db2.gz NHZRFSQPIFYZHI-UHFFFAOYSA-N -1 0 380.224 3.785 20 10 GHCDRM COc1ccc(F)cc1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000812240049 890472425 /nfs/dbraw/zinc/47/24/25/890472425.db2.gz IZLLETFJXZUSPJ-OQLLNIDSSA-N -1 0 389.429 3.938 20 10 GHCDRM COC(=O)c1ccc(-c2csc([N-]S(=O)(=O)c3ccc(C)s3)n2)cc1 ZINC000917218692 891603617 /nfs/dbraw/zinc/60/36/17/891603617.db2.gz UKLAIVNGNWZKKQ-UHFFFAOYSA-N -1 0 394.499 3.767 20 10 GHCDRM COc1cccc(Nc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)c1 ZINC000004541279 913754095 /nfs/dbraw/zinc/75/40/95/913754095.db2.gz KFMOJUUWCCSHHT-UHFFFAOYSA-N -1 0 389.458 3.677 20 10 GHCDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000818783873 896240675 /nfs/dbraw/zinc/24/06/75/896240675.db2.gz PIMOURHQUQCELU-UHFFFAOYSA-N -1 0 388.470 3.706 20 10 GHCDRM COCc1ccccc1S(=O)(=O)[N-]c1nc2c(s1)COc1ccccc1-2 ZINC000778661035 898068789 /nfs/dbraw/zinc/06/87/89/898068789.db2.gz ISAXBIRSPNXPCN-UHFFFAOYSA-N -1 0 388.470 3.650 20 10 GHCDRM O=C([O-])/C=C/c1ccc(N2CCC[C@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844216017 900610950 /nfs/dbraw/zinc/61/09/50/900610950.db2.gz WTRYBEYYKJFPKE-RCHCNPRSSA-N -1 0 396.443 3.514 20 10 GHCDRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(-c2ccccn2)cs1 ZINC000844252657 900618681 /nfs/dbraw/zinc/61/86/81/900618681.db2.gz OWTJEZNNLBGWBO-UHFFFAOYSA-N -1 0 381.866 3.668 20 10 GHCDRM COc1cc2c(cc1OC)CN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144308575 901705200 /nfs/dbraw/zinc/70/52/00/901705200.db2.gz PYHYJPYYZZUCKS-UHFFFAOYSA-N -1 0 382.229 3.827 20 10 GHCDRM CC(C)c1cc(C(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)no1 ZINC001147486701 903815022 /nfs/dbraw/zinc/81/50/22/903815022.db2.gz HCFAQCTVBXQYEB-UHFFFAOYSA-N -1 0 376.368 3.531 20 10 GHCDRM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147887230 903891134 /nfs/dbraw/zinc/89/11/34/903891134.db2.gz IDIISVLFGLMIQQ-UHFFFAOYSA-N -1 0 398.344 3.985 20 10 GHCDRM Cn1ccnc1[C@H](NCc1cc(Cl)cc(Br)c1[O-])C(F)(F)F ZINC001179834407 909755920 /nfs/dbraw/zinc/75/59/20/909755920.db2.gz NPGQXNGULNLDJT-NSHDSACASA-N -1 0 398.610 3.935 20 10 GHCDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000795545424 911045043 /nfs/dbraw/zinc/04/50/43/911045043.db2.gz HYOSROWMFLAIBP-UHFFFAOYSA-N -1 0 388.518 3.532 20 10 GHCDRM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1c(Cl)nc2sccn21 ZINC001187139149 915052701 /nfs/dbraw/zinc/05/27/01/915052701.db2.gz AEARYRKPLODSCB-UHFFFAOYSA-N -1 0 397.787 3.574 20 10 GHCDRM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1cnc(Cl)c(Cl)c1 ZINC001188071066 915736660 /nfs/dbraw/zinc/73/66/60/915736660.db2.gz JLDCGOBOTJYZRD-UHFFFAOYSA-N -1 0 387.166 3.914 20 10 GHCDRM CN(C)c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC001189756715 916882403 /nfs/dbraw/zinc/88/24/03/916882403.db2.gz NJWUJAMAPQQBKY-UHFFFAOYSA-N -1 0 389.702 3.969 20 10 GHCDRM Cc1oc2c(ccc([O-])c2CN2CCN(C3CC3)CC2)c(=O)c1-c1ccccc1 ZINC000749675040 927230235 /nfs/dbraw/zinc/23/02/35/927230235.db2.gz IQYGAYGKXNPHJG-UHFFFAOYSA-N -1 0 390.483 3.754 20 10 GHCDRM Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000798253854 932578388 /nfs/dbraw/zinc/57/83/88/932578388.db2.gz CHURNSLLZKPQGX-UHFFFAOYSA-N -1 0 393.491 3.554 20 10 GHCDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC001589595448 949139432 /nfs/dbraw/zinc/13/94/32/949139432.db2.gz XVNGABXYADSQTG-QFIPXVFZSA-N -1 0 387.524 3.709 20 10 GHCDRM CC[C@@H](CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C)C(=O)[O-] ZINC001589549035 955208061 /nfs/dbraw/zinc/20/80/61/955208061.db2.gz FUQMDEAVFGHNJB-ZDUSSCGKSA-N -1 0 393.281 3.697 20 10 GHCDRM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001573454393 958882837 /nfs/dbraw/zinc/88/28/37/958882837.db2.gz AQFABXYUTAOVBX-WDEREUQCSA-N -1 0 379.478 3.632 20 10 GHCDRM C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2Cl)C1 ZINC001603415160 973106671 /nfs/dbraw/zinc/10/66/71/973106671.db2.gz YZAHNYGCMYTICN-BMFZPTHFSA-N -1 0 393.915 3.629 20 10 GHCDRM CC(C)c1nc([C@H]2CCCCN2c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC001592015875 976700036 /nfs/dbraw/zinc/70/00/36/976700036.db2.gz SLSNWLDZAOEREP-LOWQCSRCSA-N -1 0 386.408 3.931 20 10 GHCDRM CC(C)c1nc([C@@H]2CCCCN2c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC001592015878 976700221 /nfs/dbraw/zinc/70/02/21/976700221.db2.gz SLSNWLDZAOEREP-VIHMKRCTSA-N -1 0 386.408 3.931 20 10 GHCDRM O=C([O-])[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)c1ccc(Br)cc1 ZINC000756348431 978698661 /nfs/dbraw/zinc/69/86/61/978698661.db2.gz KOEUQNJRMOMUAB-AWEZNQCLSA-N -1 0 388.620 3.863 20 10 GHCDRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1)C(=O)[O-] ZINC001594946605 982642653 /nfs/dbraw/zinc/64/26/53/982642653.db2.gz OSEBOUREAMSUSL-BFUOFWGJSA-N -1 0 384.476 3.834 20 10 GHCDRM C/C(=C/C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC001588933623 984612723 /nfs/dbraw/zinc/61/27/23/984612723.db2.gz VDWYUSFRUBAVRF-GHXNOFRVSA-N -1 0 377.799 3.701 20 10 GHCDRM CN(CC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001598387083 991616663 /nfs/dbraw/zinc/61/66/63/991616663.db2.gz QIPLRHAHTGGTJF-QHCPKHFHSA-N -1 0 396.487 3.634 20 10 GHCDRM COc1ccc(N2CCCN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)CC2)cc1 ZINC001599585168 993603696 /nfs/dbraw/zinc/60/36/96/993603696.db2.gz NVSMOVPMKBSLMD-UHFFFAOYSA-N -1 0 395.381 3.524 20 10 GHCDRM C[C@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccc(N(C)C)cc1 ZINC001593087850 993696428 /nfs/dbraw/zinc/69/64/28/993696428.db2.gz ANXANNYUDCVULI-KXBFYZLASA-N -1 0 395.503 3.931 20 10 GHCDRM COc1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001599507414 997235387 /nfs/dbraw/zinc/23/53/87/997235387.db2.gz ZVHYVSWYIVCYNI-ZDUSSCGKSA-N -1 0 391.851 3.661 20 10 GHCDRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2C(=O)OC(C)(C)C)C1 ZINC001594443920 999632106 /nfs/dbraw/zinc/63/21/06/999632106.db2.gz KEHISXOKPLUKHH-GRYCIOLGSA-N -1 0 393.505 3.878 20 10 GHCDRM CC[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@@H]1C 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CN(CC(=O)OCc1ccccc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141377667 1024774622 /nfs/dbraw/zinc/77/46/22/1024774622.db2.gz XMQGYZRXFJTFSD-UHFFFAOYSA-N -1 0 398.684 3.983 20 10 GHCDRM CCOCc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000832058932 1025189734 /nfs/dbraw/zinc/18/97/34/1025189734.db2.gz GOQXQKHMZAFABT-UHFFFAOYSA-N -1 0 375.277 3.930 20 10 GHCDRM Cc1cc(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC001162937589 1025974536 /nfs/dbraw/zinc/97/45/36/1025974536.db2.gz ZCIKMGSZAFSYDD-QGZVFWFLSA-N -1 0 382.464 3.596 20 10 GHCDRM Cc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1S(=O)(=O)C1CCCC1 ZINC000832850820 1026033474 /nfs/dbraw/zinc/03/34/74/1026033474.db2.gz OVSSUCCNLCCFNH-UHFFFAOYSA-N -1 0 393.436 3.514 20 10 GHCDRM COC(=O)c1ccccc1N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203582081 1027450999 /nfs/dbraw/zinc/45/09/99/1027450999.db2.gz PMTLWUBRWNHEDQ-UHFFFAOYSA-N -1 0 395.286 3.808 20 10 GHCDRM C[C@H](NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000840989267 1028026029 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ZINC001260684353 1045605114 /nfs/dbraw/zinc/60/51/14/1045605114.db2.gz PUVYVZWTOSOTAW-UHFFFAOYSA-N -1 0 397.477 3.941 20 10 GHCDRM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccncc1 ZINC001260773057 1045652179 /nfs/dbraw/zinc/65/21/79/1045652179.db2.gz NSTKJEDVKGHPSM-UHFFFAOYSA-N -1 0 396.468 3.739 20 10 GHCDRM O=S(=O)([N-]c1cccc2cc(Cl)cnc21)c1ccc(Cl)c2nonc21 ZINC001261072973 1045888792 /nfs/dbraw/zinc/88/87/92/1045888792.db2.gz LPAQCONHKNKGNE-UHFFFAOYSA-N -1 0 395.227 3.879 20 10 GHCDRM O=C1/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)SC(=S)N1c1ccc(F)cc1F ZINC000748358292 1047421741 /nfs/dbraw/zinc/42/17/41/1047421741.db2.gz STIPKAQFRBCHDF-NSIKDUERSA-N -1 0 394.380 3.984 20 10 GHCDRM O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001279975462 1048022233 /nfs/dbraw/zinc/02/22/33/1048022233.db2.gz FODKCQXOYHJLDT-ORAYPTAESA-N -1 0 399.293 3.624 20 10 GHCDRM CN(CC(=O)Nc1ccccc1Br)Cc1cc(F)cc(F)c1[O-] ZINC001308597990 1050026132 /nfs/dbraw/zinc/02/61/32/1050026132.db2.gz 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GHCDRM COC(=O)c1ccc([O-])c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1 ZINC001192398264 870367236 /nfs/dbraw/zinc/36/72/36/870367236.db2.gz VKNZTWFKHXKJNC-UHFFFAOYSA-N -1 0 376.412 3.608 20 10 GHCDRM O=C([O-])/C=C\c1ccc(N2CCN(C/C=C\c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000920957604 882472995 /nfs/dbraw/zinc/47/29/95/882472995.db2.gz XUTCUHGHPUOLKK-SKQDYVHHSA-N -1 0 393.443 3.528 20 10 GHCDRM CC(C)c1csc(C(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)n1 ZINC001193510207 871150018 /nfs/dbraw/zinc/15/00/18/871150018.db2.gz IRZAKAVZQYWYHZ-UHFFFAOYSA-N -1 0 392.436 4.000 20 10 GHCDRM CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC001194187034 871544624 /nfs/dbraw/zinc/54/46/24/871544624.db2.gz BRIKKROMIWBYQM-QURGRASLSA-N -1 0 382.449 3.759 20 10 GHCDRM Cc1nc2ccc(S(=O)(=O)[N-]c3nc(-c4cccnc4)cs3)cc2s1 ZINC000794003523 882529796 /nfs/dbraw/zinc/52/97/96/882529796.db2.gz WTZZUOOUJMWDFV-UHFFFAOYSA-N -1 0 388.499 3.924 20 10 GHCDRM O=C(Cc1cccc(F)c1)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665083 872529543 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383.400 3.563 20 10 GHCDRM COc1ccc2nc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3O)sc2c1 ZINC001599636895 994301917 /nfs/dbraw/zinc/30/19/17/994301917.db2.gz MCGQLNQZLLWCTE-UHFFFAOYSA-N -1 0 392.864 3.751 20 10 GHCDRM C[C@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593330521 994894454 /nfs/dbraw/zinc/89/44/54/994894454.db2.gz JBPDWUXBWJGXFD-AWEZNQCLSA-N -1 0 398.484 3.644 20 10 GHCDRM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001598689907 995048160 /nfs/dbraw/zinc/04/81/60/995048160.db2.gz SMELGSMQOXZRTG-ZHUYAKLQSA-N -1 0 398.415 3.508 20 10 GHCDRM COC(=O)[C@H](C)CN(Cc1ccccc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598689904 995048375 /nfs/dbraw/zinc/04/83/75/995048375.db2.gz SMELGSMQOXZRTG-SLZMIMFISA-N -1 0 398.415 3.508 20 10 GHCDRM COc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC001599559471 998162284 /nfs/dbraw/zinc/16/22/84/998162284.db2.gz CMCFZTQKGMHHFZ-MHWRWJLKSA-N -1 0 385.466 3.795 20 10 GHCDRM 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376.343 3.625 20 10 GHCDRM COc1ncc(Nc2c(CC(=O)[O-])cccc2C(=O)c2ccccc2)cc1F ZINC001203410015 1027319996 /nfs/dbraw/zinc/31/99/96/1027319996.db2.gz KDRYYRIRPFCJHI-UHFFFAOYSA-N -1 0 380.375 3.831 20 10 GHCDRM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001203573512 1027443506 /nfs/dbraw/zinc/44/35/06/1027443506.db2.gz CYRFEGQALSYSDR-UHFFFAOYSA-N -1 0 395.286 3.746 20 10 GHCDRM CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203577662 1027447324 /nfs/dbraw/zinc/44/73/24/1027447324.db2.gz DASVTGGWTMYJHC-UHFFFAOYSA-N -1 0 398.338 3.537 20 10 GHCDRM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203586142 1027454075 /nfs/dbraw/zinc/45/40/75/1027454075.db2.gz LNQFEVQGNNPWHV-SJLPKXTDSA-N -1 0 396.270 3.814 20 10 GHCDRM CCOC[C@H]1CN(Cc2cc(Br)ccc2O)Cc2c1cnn2CC ZINC001203640331 1027499374 /nfs/dbraw/zinc/49/93/74/1027499374.db2.gz XAVPQAJXJRBNHC-CQSZACIVSA-N -1 0 394.313 3.507 20 10 GHCDRM O=C(Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)c1cccc2[nH]ccc21 ZINC001218919283 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1042367720 /nfs/dbraw/zinc/36/77/20/1042367720.db2.gz HNNICIABGVBAKE-LLVKDONJSA-N -1 0 384.167 3.677 20 10 GHCDRM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C[C@@H]1F ZINC001237799104 1042375419 /nfs/dbraw/zinc/37/54/19/1042375419.db2.gz OCLJNVVPDGQAII-UONOGXRCSA-N -1 0 376.831 3.622 20 10 GHCDRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001256860247 1043706479 /nfs/dbraw/zinc/70/64/79/1043706479.db2.gz JNXNOEIEGFCFCS-UHFFFAOYSA-N -1 0 377.421 3.571 20 10 GHCDRM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259080957 1044952130 /nfs/dbraw/zinc/95/21/30/1044952130.db2.gz ZHPBGCIHPOCPEC-UHFFFAOYSA-N -1 0 392.358 3.531 20 10 GHCDRM CN(Cc1cnn(-c2ccccc2)c1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000743328098 1045307306 /nfs/dbraw/zinc/30/73/06/1045307306.db2.gz JYGUPIUGGGYBCA-NTMALXAHSA-N -1 0 378.388 3.515 20 10 GHCDRM COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1-c1ccccc1 ZINC001260440745 1045496260 /nfs/dbraw/zinc/49/62/60/1045496260.db2.gz 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CCN(CC)c1ccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001596288591 983708327 /nfs/dbraw/zinc/70/83/27/983708327.db2.gz QWLWQXJEKQKTDF-UHFFFAOYSA-N -1 0 377.391 3.831 20 10 GHCDRM CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC001596289477 983709349 /nfs/dbraw/zinc/70/93/49/983709349.db2.gz JHNQFGXZMHKDQY-UHFFFAOYSA-N -1 0 385.464 3.904 20 10 GHCDRM CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001596289557 983709959 /nfs/dbraw/zinc/70/99/59/983709959.db2.gz MGGJFKLCYZMNJX-NHCUHLMSSA-N -1 0 395.503 3.543 20 10 GHCDRM CCc1nc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)sc1C(=O)[O-] ZINC001597680441 988807307 /nfs/dbraw/zinc/80/73/07/988807307.db2.gz LYEGWHUFZMPFDT-UHFFFAOYSA-N -1 0 383.473 3.992 20 10 GHCDRM CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001598317673 991306549 /nfs/dbraw/zinc/30/65/49/991306549.db2.gz LFDUCTZXXGELSE-CSKARUKUSA-N -1 0 396.365 3.648 20 10 GHCDRM CN(C)c1ccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C(=O)[O-] ZINC001598330228 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O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccnn1[C@H]1CCCOC1 ZINC000934675495 1018919224 /nfs/dbraw/zinc/91/92/24/1018919224.db2.gz DNMMONHNCGGGND-LBPRGKRZSA-N -1 0 385.251 3.569 20 10 GHCDRM COc1ccc(N2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)CC2)cc1F ZINC000754027624 1022431808 /nfs/dbraw/zinc/43/18/08/1022431808.db2.gz DDNUZMUVOMOAAR-UHFFFAOYSA-N -1 0 399.249 3.809 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000836615418 1023170497 /nfs/dbraw/zinc/17/04/97/1023170497.db2.gz NISKQCOVVBXMHU-GDBMZVCRSA-N -1 0 396.274 3.814 20 10 GHCDRM COC(=O)CN(CCc1ccccc1)Cc1cc(Br)cc(F)c1[O-] ZINC001204992902 1033198425 /nfs/dbraw/zinc/19/84/25/1033198425.db2.gz PCSMWUMKAQQGGB-UHFFFAOYSA-N -1 0 396.256 3.512 20 10 GHCDRM CCOc1ccc(CN2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)cc1 ZINC001205032664 1033220182 /nfs/dbraw/zinc/22/01/82/1033220182.db2.gz LATYEEBTQFFCIW-UHFFFAOYSA-N -1 0 378.875 3.901 20 10 GHCDRM CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141372949 1024761169 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/nfs/dbraw/zinc/04/14/74/928041474.db2.gz SNQHAWFSKAGOFP-UHFFFAOYSA-N -1 0 397.481 3.761 20 10 GHCDRM C[C@@H](NCc1cccc(Br)c1[O-])c1noc(Cc2ccccc2)n1 ZINC000751991301 928534710 /nfs/dbraw/zinc/53/47/10/928534710.db2.gz QMKSWGMUAKMZOO-GFCCVEGCSA-N -1 0 388.265 3.979 20 10 GHCDRM Cc1cc(C)c(-c2csc([N-]S(=O)(=O)c3cnc4n3CCC4)n2)cc1C ZINC000783595027 931591308 /nfs/dbraw/zinc/59/13/08/931591308.db2.gz LSYOOGNGTWUSMD-UHFFFAOYSA-N -1 0 388.518 3.679 20 10 GHCDRM CCO[C@H]1C[C@@](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)(C(=O)[O-])C1(C)C ZINC000799251633 932935074 /nfs/dbraw/zinc/93/50/74/932935074.db2.gz KUSNPHURACFVLU-WMZHIEFXSA-N -1 0 398.503 3.791 20 10 GHCDRM O=S(=O)([N-]c1nc(-c2ccco2)cs1)c1ccc(Br)o1 ZINC000799636790 933073848 /nfs/dbraw/zinc/07/38/48/933073848.db2.gz ZDBVVGJXWPSICH-UHFFFAOYSA-N -1 0 375.225 3.559 20 10 GHCDRM CN(C)c1ccc(CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C2CC2)cc1 ZINC001604091299 972491607 /nfs/dbraw/zinc/49/16/07/972491607.db2.gz VMBSMIJHSKLBBO-SFTDATJTSA-N -1 0 393.487 3.740 20 10 GHCDRM COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)ccc21 ZINC001604630142 973763113 /nfs/dbraw/zinc/76/31/13/973763113.db2.gz YOASYRLBSYKCTD-FQEVSTJZSA-N -1 0 398.434 3.599 20 10 GHCDRM CC(C)c1nnc2n1CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)[C@H]2C ZINC001592090814 976832639 /nfs/dbraw/zinc/83/26/39/976832639.db2.gz AZPZMVQEUUNIJC-ZDUSSCGKSA-N -1 0 380.448 3.535 20 10 GHCDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592882535 979752543 /nfs/dbraw/zinc/75/25/43/979752543.db2.gz FZPMVAZLDVFHKB-JTQLQIEISA-N -1 0 386.429 3.763 20 10 GHCDRM CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001594774828 981754956 /nfs/dbraw/zinc/75/49/56/981754956.db2.gz IFVVDPAIMVSALI-HNNXBMFYSA-N -1 0 378.444 3.568 20 10 GHCDRM CCOc1ccccc1[C@@H](CC)NC(=O)CSc1ncc(C(=O)[O-])s1 ZINC001597173471 987018406 /nfs/dbraw/zinc/01/84/06/987018406.db2.gz WNDKSDFNWLIXAR-GFCCVEGCSA-N -1 0 380.491 3.600 20 10 GHCDRM CC(C)(CCC(=O)[O-])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001590665301 990366799 /nfs/dbraw/zinc/36/67/99/990366799.db2.gz DYNKQGFGPBDQIT-UHFFFAOYSA-N -1 0 395.091 3.650 20 10 GHCDRM CN(Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598524798 992705761 /nfs/dbraw/zinc/70/57/61/992705761.db2.gz JIGISNUVRXBBPM-UHFFFAOYSA-N -1 0 387.329 3.867 20 10 GHCDRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1c(C)nn(CCC(=O)[O-])c1C ZINC001599626844 994161215 /nfs/dbraw/zinc/16/12/15/994161215.db2.gz MMBZKIDJEMQZCU-GOSISDBHSA-N -1 0 385.508 3.818 20 10 GHCDRM C[C@@]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001593291907 994673505 /nfs/dbraw/zinc/67/35/05/994673505.db2.gz FMHXHLUHDBAHJI-INIZCTEOSA-N -1 0 384.657 3.898 20 10 GHCDRM COC(=O)[C@H](C)c1cccc(NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1 ZINC001598690889 995064279 /nfs/dbraw/zinc/06/42/79/995064279.db2.gz CJGZWGSFFPIBFJ-GFCCVEGCSA-N -1 0 384.407 3.904 20 10 GHCDRM C[C@@H](Sc1ncc(C(=O)[O-])s1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC001593679783 996103277 /nfs/dbraw/zinc/10/32/77/996103277.db2.gz OSWKBOPXFHFMKY-MRVPVSSYSA-N -1 0 388.873 3.773 20 10 GHCDRM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(=O)[O-])n1C ZINC001593710350 996209664 /nfs/dbraw/zinc/20/96/64/996209664.db2.gz MBUIYKWSQDZZIJ-HNNXBMFYSA-N -1 0 378.428 3.833 20 10 GHCDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H](C)c2cc(C)cnc2F)c1[O-] ZINC001227494867 1032441026 /nfs/dbraw/zinc/44/10/26/1032441026.db2.gz JIZMXDGJDKDVDY-JTQLQIEISA-N -1 0 397.424 3.790 20 10 GHCDRM CO[C@@H](C)CCOc1cc([O-])cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC001227660675 1032509001 /nfs/dbraw/zinc/50/90/01/1032509001.db2.gz BLIOXSVAQQEIQU-VIFPVBQESA-N -1 0 386.356 3.613 20 10 GHCDRM Cc1cc(CNC(=O)C(F)(F)F)cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000834897271 1021642556 /nfs/dbraw/zinc/64/25/56/1021642556.db2.gz ZDHINXLHDFCNOU-LLVKDONJSA-N -1 0 397.353 3.960 20 10 GHCDRM CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])cc(F)cc1F ZINC001140585329 1022009294 /nfs/dbraw/zinc/00/92/94/1022009294.db2.gz FQLGVQMIOXWWTL-SFHVURJKSA-N -1 0 375.415 3.939 20 10 GHCDRM C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(Br)c1[O-] ZINC000756776745 1023811225 /nfs/dbraw/zinc/81/12/25/1023811225.db2.gz CZRJYLREOVOLAL-MRVPVSSYSA-N -1 0 389.091 3.502 20 10 GHCDRM CCN(CC)C(=O)COc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756841107 1023830554 /nfs/dbraw/zinc/83/05/54/1023830554.db2.gz RFHLAZQBOCYIKQ-CQSZACIVSA-N -1 0 387.436 3.721 20 10 GHCDRM C[C@@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756849618 1023832610 /nfs/dbraw/zinc/83/26/10/1023832610.db2.gz CYZJAVAQUKPZTA-CQSZACIVSA-N -1 0 392.415 3.799 20 10 GHCDRM O=C([O-])c1c(F)cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1F ZINC001203327267 1027276515 /nfs/dbraw/zinc/27/65/15/1027276515.db2.gz DXGNJAPVQCXFJG-UHFFFAOYSA-N -1 0 395.317 3.888 20 10 GHCDRM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580315 1027448826 /nfs/dbraw/zinc/44/88/26/1027448826.db2.gz MUQQLVISWATRBH-OAHLLOKOSA-N -1 0 386.300 3.747 20 10 GHCDRM Cc1ccccc1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203582091 1027451230 /nfs/dbraw/zinc/45/12/30/1027451230.db2.gz PZWKZJGMGFTUNL-UHFFFAOYSA-N -1 0 379.287 3.965 20 10 GHCDRM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(Br)cc(F)c1[O-] ZINC000840870386 1027908957 /nfs/dbraw/zinc/90/89/57/1027908957.db2.gz ZBIRXBOQYKDNTH-SSDOTTSWSA-N -1 0 394.166 3.953 20 10 GHCDRM C[C@@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000840989265 1028025639 /nfs/dbraw/zinc/02/56/39/1028025639.db2.gz YXFDDGUAHLMMCV-APWZRJJASA-N -1 0 383.492 3.589 20 10 GHCDRM COc1cc(CO)ccc1Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001215209979 1029091196 /nfs/dbraw/zinc/09/11/96/1029091196.db2.gz BNDDYZLZXNRYAK-UHFFFAOYSA-N -1 0 391.423 3.789 20 10 GHCDRM O=C([O-])c1cc(Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc(F)c1F ZINC001215468045 1029222896 /nfs/dbraw/zinc/22/28/96/1029222896.db2.gz VWWYWJQHENLJTM-UHFFFAOYSA-N -1 0 395.317 3.888 20 10 GHCDRM COc1ccc(N2CC[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3[O-])C2)cc1 ZINC001142797985 1029481157 /nfs/dbraw/zinc/48/11/57/1029481157.db2.gz JZBMDHNCOSWLNE-LBPRGKRZSA-N -1 0 395.286 3.964 20 10 GHCDRM O=C1NCCc2c(NCc3cc(Cl)cc(Br)c3[O-])cccc21 ZINC001461576400 1069619197 /nfs/dbraw/zinc/61/91/97/1069619197.db2.gz CBEIQDKGLGUFJQ-UHFFFAOYSA-N -1 0 381.657 3.706 20 10 GHCDRM COc1ccc(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)cc1Cl ZINC001217553351 1030488066 /nfs/dbraw/zinc/48/80/66/1030488066.db2.gz BEDDOVUGKUVYIY-UHFFFAOYSA-N -1 0 386.747 3.583 20 10 GHCDRM O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC001277388104 1033485455 /nfs/dbraw/zinc/48/54/55/1033485455.db2.gz SHULKAKURQLMFH-INIZCTEOSA-N -1 0 394.796 3.704 20 10 GHCDRM CC1(C)CC[C@@H](COc2c(O)c([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c32)O1 ZINC001229698749 1033650003 /nfs/dbraw/zinc/65/00/03/1033650003.db2.gz HGABBCWBKPYKHC-AWEZNQCLSA-N -1 0 398.411 3.913 20 10 GHCDRM COc1cc(=O)c2c([O-])c(O[C@@H]3C=CCC3)c(-c3ccc(O)c(O)c3)oc-2c1 ZINC001229791342 1033717552 /nfs/dbraw/zinc/71/75/52/1033717552.db2.gz PMQQHCBAECHEGM-GFCCVEGCSA-N -1 0 382.368 3.683 20 10 GHCDRM Cc1c([C@@H](C)Oc2c(C)c(O)cc3c2C(=O)c2ccccc2C3=O)cnn1C ZINC001229829859 1033739862 /nfs/dbraw/zinc/73/98/62/1033739862.db2.gz ZDHGAEUYCNFGAG-CYBMUJFWSA-N -1 0 376.412 3.658 20 10 GHCDRM C[C@H]1CCC[C@@H]1Oc1c(=O)c2c(O)cc([O-])c(O)c2oc1-c1ccc(O)cc1 ZINC001230166328 1033926579 /nfs/dbraw/zinc/92/65/79/1033926579.db2.gz QAULBBGFHQWMGY-BONVTDFDSA-N -1 0 384.384 3.850 20 10 GHCDRM CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1Cc1ccc(C(=O)[O-])cc1O ZINC001231453977 1034599059 /nfs/dbraw/zinc/59/90/59/1034599059.db2.gz MTLUBRIIEAAPLX-OALUTQOASA-N -1 0 383.444 3.749 20 10 GHCDRM CC(C)(C)OC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)[C@H]2CCCC=C21 ZINC001231569380 1034718860 /nfs/dbraw/zinc/71/88/60/1034718860.db2.gz XISKYTVEWJDYTE-INIZCTEOSA-N -1 0 388.464 3.580 20 10 GHCDRM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cccc(Cl)c2[O-])CC(F)(F)C1 ZINC001231914765 1034987978 /nfs/dbraw/zinc/98/79/78/1034987978.db2.gz PXICEDIQWDKNDW-GFCCVEGCSA-N -1 0 376.831 3.780 20 10 GHCDRM COc1ccc(C[NH+]2C3CCCC2CCC3)c([O-])c1I ZINC001248498717 1035916531 /nfs/dbraw/zinc/91/65/31/1035916531.db2.gz MENFBUOOFWLGCQ-UHFFFAOYSA-N -1 0 387.261 3.912 20 10 GHCDRM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC001462148430 1070035532 /nfs/dbraw/zinc/03/55/32/1070035532.db2.gz PTKRBCAMQGJISV-INIZCTEOSA-N -1 0 390.705 3.578 20 10 GHCDRM [O-]c1cc(Br)cc(F)c1CN1CCN(c2cccc(F)c2)CC1 ZINC001233031394 1038786139 /nfs/dbraw/zinc/78/61/39/1038786139.db2.gz BEOVWVFXIJHZOO-UHFFFAOYSA-N -1 0 383.236 3.755 20 10 GHCDRM O=c1c(O[C@@H]2C=CCCC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c(O)c12 ZINC001234739155 1040266574 /nfs/dbraw/zinc/26/65/74/1040266574.db2.gz DEXHCJZCTWNMOI-CYBMUJFWSA-N -1 0 382.368 3.770 20 10 GHCDRM C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Br)cc(F)c1[O-] ZINC001235056694 1040546493 /nfs/dbraw/zinc/54/64/93/1040546493.db2.gz BZUSTZDMRPPEER-UHFFFAOYSA-N -1 0 382.229 3.697 20 10 GHCDRM CCc1c(C)sc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C(N)=O ZINC001256139966 1041576545 /nfs/dbraw/zinc/57/65/45/1041576545.db2.gz GLIZYJILXAGEFJ-UHFFFAOYSA-N -1 0 386.926 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C[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000861450747 885519524 /nfs/dbraw/zinc/51/95/24/885519524.db2.gz CYMGKNAPEUEQKF-OXQOHEQNSA-N -1 0 387.524 3.708 20 10 GHCDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c1 ZINC000861585181 885666657 /nfs/dbraw/zinc/66/66/57/885666657.db2.gz BFVMGMLLJZVVRM-UHFFFAOYSA-N -1 0 382.470 3.863 20 10 GHCDRM C[C@H]1CCN(c2cc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])ccn2)C1 ZINC000807841143 885773438 /nfs/dbraw/zinc/77/34/38/885773438.db2.gz SZCHZPFQOXKSGK-NSHDSACASA-N -1 0 380.275 3.870 20 10 GHCDRM Cc1nnc(-c2cccc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])c2)o1 ZINC000807835236 885798852 /nfs/dbraw/zinc/79/88/52/885798852.db2.gz AVFSUKBVNJJNQW-UHFFFAOYSA-N -1 0 378.215 3.987 20 10 GHCDRM O=C(CCc1nnc(C2CCCC2)o1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807835616 885799015 /nfs/dbraw/zinc/79/90/15/885799015.db2.gz KDTDWSBOICJPMA-UHFFFAOYSA-N -1 0 384.263 3.989 20 10 GHCDRM O=C(CCc1nc(-c2ccoc2)no1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836731 885799408 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893361534 /nfs/dbraw/zinc/36/15/34/893361534.db2.gz IQTLCZNVWTVJJM-UHFFFAOYSA-N -1 0 384.448 3.500 20 10 GHCDRM COc1ccccc1[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nccn1C ZINC000816533686 894902885 /nfs/dbraw/zinc/90/28/85/894902885.db2.gz GVLYPPGPRJLQHQ-SFHVURJKSA-N -1 0 375.831 3.806 20 10 GHCDRM O=C([O-])CCCCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000817880760 895946678 /nfs/dbraw/zinc/94/66/78/895946678.db2.gz FHADTCIESQPYPE-UHFFFAOYSA-N -1 0 382.420 3.802 20 10 GHCDRM COc1ccc(-c2cc(NCc3cc(Cl)cc(F)c3O)n(CCO)n2)cc1 ZINC001202578762 898214448 /nfs/dbraw/zinc/21/44/48/898214448.db2.gz CPDNVQULOQJMQI-UHFFFAOYSA-N -1 0 391.830 3.661 20 10 GHCDRM CSCc1nnc(C[NH2+][C@@H](C)c2cc(Br)cc(Cl)c2[O-])[n-]1 ZINC000886757828 901257186 /nfs/dbraw/zinc/25/71/86/901257186.db2.gz SDEKTTOTAVURDO-ZETCQYMHSA-N -1 0 391.722 3.640 20 10 GHCDRM Cc1cc(Br)c([O-])c(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000844935592 901557386 /nfs/dbraw/zinc/55/73/86/901557386.db2.gz FKCRPWMFCGUWJQ-GOSISDBHSA-N -1 0 378.266 3.595 20 10 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COc1c(O)c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000774874315 913849927 /nfs/dbraw/zinc/84/99/27/913849927.db2.gz BLXCELFWQRFABL-INIZCTEOSA-N -1 0 396.802 3.675 20 10 GHCDRM CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000818624234 896220818 /nfs/dbraw/zinc/22/08/18/896220818.db2.gz NJRXBAJXKFPAHM-UHFFFAOYSA-N -1 0 387.480 3.558 20 10 GHCDRM CC(C)(CC[NH2+]Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000818628867 896222039 /nfs/dbraw/zinc/22/20/39/896222039.db2.gz BYWXVUXYRDKAFB-UHFFFAOYSA-N -1 0 395.091 3.508 20 10 GHCDRM O=C(C[C@@H](n1ccnc1)C(F)(F)F)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000822950183 898748683 /nfs/dbraw/zinc/74/86/83/898748683.db2.gz ZLUCBZRHYGDQCM-LLVKDONJSA-N -1 0 382.169 3.705 20 10 GHCDRM Cc1cc(Br)c(O)c(CNc2ccc(N3CCCC3=O)cn2)c1 ZINC000825375015 900131791 /nfs/dbraw/zinc/13/17/91/900131791.db2.gz IMIUUWUZADOGGE-UHFFFAOYSA-N -1 0 376.254 3.597 20 10 GHCDRM CN(CCC(C)(C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000844011754 900449295 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GHCDRM O=C1NCCN(Cc2cccc(Cl)c2[O-])[C@H]1c1ccccc1C(F)(F)F ZINC000781931264 931033779 /nfs/dbraw/zinc/03/37/79/931033779.db2.gz SQUKGBFDCLKMBO-HNNXBMFYSA-N -1 0 384.785 3.738 20 10 GHCDRM [O-]c1c(Br)cc(Br)cc1CN1CCOCC2(CC2)C1 ZINC000783599448 931592788 /nfs/dbraw/zinc/59/27/88/931592788.db2.gz NFXFWSBPBNUDGD-UHFFFAOYSA-N -1 0 391.103 3.530 20 10 GHCDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1O ZINC000797431349 932282667 /nfs/dbraw/zinc/28/26/67/932282667.db2.gz LJMBNJRFGQNCHA-UHFFFAOYSA-N -1 0 376.659 3.917 20 10 GHCDRM CN(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1F ZINC000797715921 932379463 /nfs/dbraw/zinc/37/94/63/932379463.db2.gz VKQJLHMLURCOCK-FQEVSTJZSA-N -1 0 395.434 3.670 20 10 GHCDRM CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001593710885 954186596 /nfs/dbraw/zinc/18/65/96/954186596.db2.gz NYBQVJLDFJHDNR-UHFFFAOYSA-N -1 0 392.419 3.701 20 10 GHCDRM Cc1cc(-c2csc(NC(=O)COCC(=O)[O-])n2)c(C)n1-c1ccc(C)cc1 ZINC001594337356 958276014 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CC[C@H](C)CC[C@@H](C)Oc1c(O)c([O-])cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229777996 1033706706 /nfs/dbraw/zinc/70/67/06/1033706706.db2.gz WRQQOTUXUGDBDZ-VHSXEESVSA-N -1 0 390.388 3.610 20 10 GHCDRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(NCc3ccccc3)cc2)cc1 ZINC001160246534 1034916449 /nfs/dbraw/zinc/91/64/49/1034916449.db2.gz HIMXJRQKGYKLNK-UHFFFAOYSA-N -1 0 375.428 3.857 20 10 GHCDRM CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC001231912758 1034986989 /nfs/dbraw/zinc/98/69/89/1034986989.db2.gz XRLAEYDDJNYIMT-UHFFFAOYSA-N -1 0 385.888 3.531 20 10 GHCDRM [O-]c1c(F)cc(Br)cc1CN1CCN(Cc2cccs2)CC1 ZINC001462035987 1069960248 /nfs/dbraw/zinc/96/02/48/1069960248.db2.gz SNDMMUURBNNCOR-UHFFFAOYSA-N -1 0 385.302 3.673 20 10 GHCDRM CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1F ZINC001233496411 1039389331 /nfs/dbraw/zinc/38/93/31/1039389331.db2.gz GGVGOCRNBWVJOG-ACJLOTCBSA-N -1 0 397.443 3.807 20 10 GHCDRM COc1cc2c(cc1OC)CN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235068410 1040560183 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COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC001260440927 1045496110 /nfs/dbraw/zinc/49/61/10/1045496110.db2.gz ZLCDRZKUTZXOQO-UHFFFAOYSA-N -1 0 381.413 3.699 20 10 GHCDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 ZINC001260678511 1045601320 /nfs/dbraw/zinc/60/13/20/1045601320.db2.gz QXRLNQUBCOPQCQ-UHFFFAOYSA-N -1 0 383.450 3.633 20 10 GHCDRM C[C@H]1CCc2c(sc([N-]S(=O)(=O)Cc3ccccc3Cl)c2C(N)=O)C1 ZINC001260689584 1045608580 /nfs/dbraw/zinc/60/85/80/1045608580.db2.gz NQUVICRJYHJEJN-JTQLQIEISA-N -1 0 398.937 3.567 20 10 GHCDRM O=C1/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)SC(=S)N1c1ccc(F)cc1 ZINC000748149190 1047361655 /nfs/dbraw/zinc/36/16/55/1047361655.db2.gz URKPKEWMRJUQBF-RIYZIHGNSA-N -1 0 376.390 3.845 20 10 GHCDRM Cc1noc(NC(=O)[C@@]23C[C@@H]2CCN3Cc2cc(Cl)cc(Cl)c2[O-])c1C ZINC001279972019 1048021195 /nfs/dbraw/zinc/02/11/95/1048021195.db2.gz KXHWKSZLYLZQFL-KPZWWZAWSA-N -1 0 396.274 3.907 20 10 GHCDRM O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)c3cncc(Cl)c3)n2)c1 ZINC000754693392 1050082461 /nfs/dbraw/zinc/08/24/61/1050082461.db2.gz HSRFEPFUIJYMDB-UHFFFAOYSA-N -1 0 396.837 3.568 20 10 GHCDRM CC(C)(C)[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC001336354777 1052263032 /nfs/dbraw/zinc/26/30/32/1052263032.db2.gz DCYYBWSQNYGJSR-OAHLLOKOSA-N -1 0 394.518 3.515 20 10 GHCDRM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NCc1c([O-])ccc(Cl)c1F ZINC000848576031 1057191515 /nfs/dbraw/zinc/19/15/15/1057191515.db2.gz FZKIEPXMYAGCSR-HNNXBMFYSA-N -1 0 380.847 3.622 20 10 GHCDRM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848596689 1057197101 /nfs/dbraw/zinc/19/71/01/1057197101.db2.gz VSGRNYXMYSSVFJ-AYOQOUSVSA-N -1 0 389.540 3.808 20 10 GHCDRM O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1c(F)ccc(O)c1[O-] ZINC001457790944 1063367304 /nfs/dbraw/zinc/36/73/04/1063367304.db2.gz SMKQHVILPIOUSA-UHFFFAOYSA-N -1 0 383.763 3.800 20 10 GHCDRM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(O)c1O ZINC001200297806 1065853931 /nfs/dbraw/zinc/85/39/31/1065853931.db2.gz 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892718098 /nfs/dbraw/zinc/71/80/98/892718098.db2.gz UAPDGFLAVBDYID-UHFFFAOYSA-N -1 0 381.460 3.889 20 10 GHCDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c1 ZINC000126111195 893290539 /nfs/dbraw/zinc/29/05/39/893290539.db2.gz CYSYEWZRTLOVNJ-UHFFFAOYSA-N -1 0 393.877 3.862 20 10 GHCDRM Cc1nc(C2(NCc3cc(Br)cc(F)c3[O-])CCCCC2)no1 ZINC000882951164 897141153 /nfs/dbraw/zinc/14/11/53/897141153.db2.gz RHTCJCSFVLYFJW-UHFFFAOYSA-N -1 0 384.249 3.934 20 10 GHCDRM COC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(OC)c1 ZINC000821208679 897789542 /nfs/dbraw/zinc/78/95/42/897789542.db2.gz ALLAHUBKLLIDFL-MRXNPFEDSA-N -1 0 399.274 3.895 20 10 GHCDRM CCS(=O)(=O)Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000825315440 900088237 /nfs/dbraw/zinc/08/82/37/900088237.db2.gz ANRWFTFGFDFODE-UHFFFAOYSA-N -1 0 384.841 3.501 20 10 GHCDRM COc1c(Cl)cc([N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000575946051 901506696 /nfs/dbraw/zinc/50/66/96/901506696.db2.gz NXYDJQOISOQMLL-UHFFFAOYSA-N -1 0 390.273 3.808 20 10 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IHJJLQHALJKGKX-UHFFFAOYSA-N -1 0 376.037 3.787 20 10 GHCDRM COc1ccc(COCCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807840786 885769189 /nfs/dbraw/zinc/76/91/89/885769189.db2.gz JVKVHDCFGWXFJQ-UHFFFAOYSA-N -1 0 384.259 3.931 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnn(Cc2ccccc2)c1 ZINC000807837726 885800749 /nfs/dbraw/zinc/80/07/49/885800749.db2.gz BVNSDPPVTAAAFV-UHFFFAOYSA-N -1 0 376.243 3.874 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(Br)nc1 ZINC000807837919 885804458 /nfs/dbraw/zinc/80/44/58/885804458.db2.gz GLLIYCMWOYRKAY-UHFFFAOYSA-N -1 0 376.037 3.787 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccnc1Br ZINC000807839227 885806235 /nfs/dbraw/zinc/80/62/35/885806235.db2.gz AIBMUTFLWGAXDI-UHFFFAOYSA-N -1 0 376.037 3.787 20 10 GHCDRM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839198 885806407 /nfs/dbraw/zinc/80/64/07/885806407.db2.gz YVWPVRDHFBTHON-NSHDSACASA-N -1 0 391.254 3.830 20 10 GHCDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000762257571 885881350 /nfs/dbraw/zinc/88/13/50/885881350.db2.gz JASHQIGMNOYTSL-GHTZIAJQSA-N -1 0 398.503 3.827 20 10 GHCDRM CCOC(=O)c1ccnc(NCc2cc(Cl)cc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000808086873 886006958 /nfs/dbraw/zinc/00/69/58/886006958.db2.gz JWSCZWSTQPIXHX-UHFFFAOYSA-N -1 0 386.191 3.791 20 10 GHCDRM O=C1CCCc2cc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)ccc2N1 ZINC000193708243 887295485 /nfs/dbraw/zinc/29/54/85/887295485.db2.gz RQBUVWSROPGIOG-UHFFFAOYSA-N -1 0 399.497 3.886 20 10 GHCDRM O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2CC(F)(F)F)SC1=S ZINC000864363260 887727843 /nfs/dbraw/zinc/72/78/43/887727843.db2.gz OJYDZGVXCJBKOT-WQLSENKSSA-N -1 0 389.420 3.857 20 10 GHCDRM COCC1(C(=O)[O-])CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000794765086 888002298 /nfs/dbraw/zinc/00/22/98/888002298.db2.gz AOVDRULEBQDAGO-UHFFFAOYSA-N -1 0 398.503 3.664 20 10 GHCDRM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1F ZINC000120438080 888239565 /nfs/dbraw/zinc/23/95/65/888239565.db2.gz SDHZNRZYYUBELX-UHFFFAOYSA-N -1 0 393.223 3.597 20 10 GHCDRM CCN(CC(C)(C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000794911132 888831320 /nfs/dbraw/zinc/83/13/20/888831320.db2.gz SWDIXGDXWOOPTF-UHFFFAOYSA-N -1 0 396.534 3.763 20 10 GHCDRM CC(C)OCc1cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)ccc1O ZINC000811702594 889906842 /nfs/dbraw/zinc/90/68/42/889906842.db2.gz DJZUDXXIFJLPIM-UHFFFAOYSA-N -1 0 391.276 3.820 20 10 GHCDRM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000812741142 890923211 /nfs/dbraw/zinc/92/32/11/890923211.db2.gz KNCUGTIQCDNRSR-LBPRGKRZSA-N -1 0 394.302 3.804 20 10 GHCDRM CCCn1c(C)cc(-c2csc([N-]S(=O)(=O)c3cn(CC)cn3)n2)c1C ZINC000747854847 891643831 /nfs/dbraw/zinc/64/38/31/891643831.db2.gz HTASOPFHXZJVNE-UHFFFAOYSA-N -1 0 393.538 3.656 20 10 GHCDRM O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484616 894854319 /nfs/dbraw/zinc/85/43/19/894854319.db2.gz JJHCZVSHQVXBME-UHFFFAOYSA-N -1 0 380.822 3.672 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC000935991531 894963939 /nfs/dbraw/zinc/96/39/39/894963939.db2.gz HMXFNTJIPCMHBU-YEORSEQZSA-N -1 0 395.290 3.776 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000816682506 895020903 /nfs/dbraw/zinc/02/09/03/895020903.db2.gz ZQXPMCXRXPKAAP-OAHLLOKOSA-N -1 0 393.270 3.758 20 10 GHCDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(F)cc2)cs1 ZINC000040945642 895872432 /nfs/dbraw/zinc/87/24/32/895872432.db2.gz NMDYYXNXMZFVQK-UHFFFAOYSA-N -1 0 379.394 3.658 20 10 GHCDRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000817883207 895948458 /nfs/dbraw/zinc/94/84/58/895948458.db2.gz FRFZFVJANOTBOO-KRWDZBQOSA-N -1 0 382.420 3.656 20 10 GHCDRM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)s1 ZINC000882798934 896999858 /nfs/dbraw/zinc/99/98/58/896999858.db2.gz JMTAACUKAKPQRY-LLVKDONJSA-N -1 0 382.507 3.575 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000823767451 899239750 /nfs/dbraw/zinc/23/97/50/899239750.db2.gz GFOFOZZVNDSPKK-VNQPRFMTSA-N -1 0 381.234 3.976 20 10 GHCDRM COc1cc2c(cc1OC)CN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144299904 901650727 /nfs/dbraw/zinc/65/07/27/901650727.db2.gz LYLMBCDCIWDENS-UHFFFAOYSA-N -1 0 396.256 3.869 20 10 GHCDRM O=C(Nc1cccc(CCc2ccccn2)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878352 903903863 /nfs/dbraw/zinc/90/38/63/903903863.db2.gz COZMMSUSINXBFE-UHFFFAOYSA-N -1 0 384.439 3.598 20 10 GHCDRM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147884022 903906023 /nfs/dbraw/zinc/90/60/23/903906023.db2.gz OSDAHQGTUQJDJT-UHFFFAOYSA-N -1 0 379.750 3.673 20 10 GHCDRM CNC(=O)c1cccc(Nc2c(CC(=O)[O-])cccc2C(=O)c2ccccc2)c1 ZINC001174141277 906838993 /nfs/dbraw/zinc/83/89/93/906838993.db2.gz QUNASIUJMGAVKR-UHFFFAOYSA-N -1 0 388.423 3.648 20 10 GHCDRM Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000773651583 908548936 /nfs/dbraw/zinc/54/89/36/908548936.db2.gz RMYFVXVPGCNPJX-AWEZNQCLSA-N -1 0 399.882 3.591 20 10 GHCDRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC001178731035 909207335 /nfs/dbraw/zinc/20/73/35/909207335.db2.gz KSDGOKUNMUMKDC-ZDUSSCGKSA-N -1 0 394.821 3.919 20 10 GHCDRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC001178730934 909207358 /nfs/dbraw/zinc/20/73/58/909207358.db2.gz KSDGOKUNMUMKDC-CYBMUJFWSA-N -1 0 394.821 3.919 20 10 GHCDRM CCc1nc([C@@H]2CCCCN2Cc2cc(Br)cc(F)c2[O-])no1 ZINC001180253543 910048276 /nfs/dbraw/zinc/04/82/76/910048276.db2.gz PFEBHYOVPZLVAO-ZDUSSCGKSA-N -1 0 384.249 3.966 20 10 GHCDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2nc(-c3cccs3)cs2)c1 ZINC000795550764 911092150 /nfs/dbraw/zinc/09/21/50/911092150.db2.gz VPRBGMXTUMDXDK-UHFFFAOYSA-N -1 0 396.515 3.827 20 10 GHCDRM C[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@@H]1C ZINC000091743780 911250661 /nfs/dbraw/zinc/25/06/61/911250661.db2.gz XPHINGYAKJOVAU-CHWSQXEVSA-N -1 0 394.518 3.515 20 10 GHCDRM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190133758 917120837 /nfs/dbraw/zinc/12/08/37/917120837.db2.gz IITTXTWPOFUBMW-UHFFFAOYSA-N -1 0 392.358 3.531 20 10 GHCDRM O=C(c1ccccn1)c1cc(Cl)ccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535968 918049444 /nfs/dbraw/zinc/04/94/44/918049444.db2.gz TYUUBCCVZDLMDG-UHFFFAOYSA-N -1 0 378.881 3.898 20 10 GHCDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccc1O ZINC001191753905 918199099 /nfs/dbraw/zinc/19/90/99/918199099.db2.gz FPXUPGWWYATJEX-UHFFFAOYSA-N -1 0 390.244 3.595 20 10 GHCDRM Cc1sc([N-]S(=O)(=O)c2ccccc2F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000119875712 919665907 /nfs/dbraw/zinc/66/59/07/919665907.db2.gz RMPNDCZZNCLVKZ-UHFFFAOYSA-N -1 0 393.421 3.967 20 10 GHCDRM C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2Cl)C1 ZINC000800721040 920396390 /nfs/dbraw/zinc/39/63/90/920396390.db2.gz OEWILTBJHLDJHP-OIISXLGYSA-N -1 0 390.911 3.860 20 10 GHCDRM Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccc4c3OCO4)n2)c(C)c1 ZINC000800924787 920606068 /nfs/dbraw/zinc/60/60/68/920606068.db2.gz FQKGKCJLYAINCJ-UHFFFAOYSA-N -1 0 388.470 3.956 20 10 GHCDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c2ccccc12 ZINC000758774312 930162767 /nfs/dbraw/zinc/16/27/67/930162767.db2.gz PLGDRFHWLMQAFE-UHFFFAOYSA-N -1 0 385.441 3.948 20 10 GHCDRM CCOc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)cn1 ZINC000781647643 930924747 /nfs/dbraw/zinc/92/47/47/930924747.db2.gz XZYXLSPGFMRNFE-UHFFFAOYSA-N -1 0 397.428 3.683 20 10 GHCDRM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1O ZINC000797820251 932416819 /nfs/dbraw/zinc/41/68/19/932416819.db2.gz NOXMCFCFJJDBFR-UHFFFAOYSA-N -1 0 392.658 3.618 20 10 GHCDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1nc(-c2cccnc2)cs1 ZINC000777665336 932752878 /nfs/dbraw/zinc/75/28/78/932752878.db2.gz FTAFKDWTNUULJQ-UHFFFAOYSA-N -1 0 382.470 3.863 20 10 GHCDRM CCO[C@@H]1C[C@@](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)(C(=O)[O-])C1(C)C ZINC000799250798 932934369 /nfs/dbraw/zinc/93/43/69/932934369.db2.gz UVQXOPXJDAZACN-AUSIDOKSSA-N -1 0 398.503 3.791 20 10 GHCDRM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3Cl)cs2)cn1 ZINC000799635935 933074094 /nfs/dbraw/zinc/07/40/94/933074094.db2.gz CIRDLUYNFYINGC-UHFFFAOYSA-N -1 0 381.866 3.668 20 10 GHCDRM COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1F ZINC000799888581 933152442 /nfs/dbraw/zinc/15/24/42/933152442.db2.gz HOCLENMFHQPRAR-NTEUORMPSA-N -1 0 389.429 3.938 20 10 GHCDRM Cc1cc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(C)c1 ZINC001594386695 958680797 /nfs/dbraw/zinc/68/07/97/958680797.db2.gz VUPQHUDFXPMTNN-DNVCBOLYSA-N -1 0 383.492 3.655 20 10 GHCDRM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000210407809 959675780 /nfs/dbraw/zinc/67/57/80/959675780.db2.gz QDDWUZPPOKOHGE-DHDCSXOGSA-N -1 0 389.429 3.695 20 10 GHCDRM CCOc1ccc(CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001327206012 961149015 /nfs/dbraw/zinc/14/90/15/961149015.db2.gz JYYUUDDKMVLUSR-YFHOEESVSA-N -1 0 386.404 3.736 20 10 GHCDRM C[C@@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001592830344 979553912 /nfs/dbraw/zinc/55/39/12/979553912.db2.gz OCGUEVYEEJUDAX-ZDUSSCGKSA-N -1 0 393.892 3.887 20 10 GHCDRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC001589341864 986258302 /nfs/dbraw/zinc/25/83/02/986258302.db2.gz NTRYDNRNYFCMER-LLVKDONJSA-N -1 0 382.243 3.916 20 10 GHCDRM CCOc1ccc(N(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC2CC2)cc1 ZINC001597105163 986734372 /nfs/dbraw/zinc/73/43/72/986734372.db2.gz BELSWKIMVQRBRP-UHFFFAOYSA-N -1 0 382.460 3.947 20 10 GHCDRM CN(C)c1cc(F)c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1F ZINC001598306440 991265149 /nfs/dbraw/zinc/26/51/49/991265149.db2.gz VZDUZDYSQHPNFH-KRWDZBQOSA-N -1 0 388.336 3.706 20 10 GHCDRM CN(C)c1ccc(CN(Cc2ccco2)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001598317502 991304350 /nfs/dbraw/zinc/30/43/50/991304350.db2.gz GYEAWWRGIUWUNF-KTKRTIGZSA-N -1 0 394.427 3.879 20 10 GHCDRM CN(C)c1ccc2c(c1)OCCN2Cc1cc(C(=O)[O-])ccc1Br ZINC001598333763 991375464 /nfs/dbraw/zinc/37/54/64/991375464.db2.gz OROVZOKUBDJTBI-UHFFFAOYSA-N -1 0 391.265 3.612 20 10 GHCDRM COc1ccccc1O[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001599715077 991439003 /nfs/dbraw/zinc/43/90/03/991439003.db2.gz MNICCPVVXKSWTM-SLWQEBJJSA-N -1 0 398.415 3.749 20 10 GHCDRM CN(CC(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001598387081 991616843 /nfs/dbraw/zinc/61/68/43/991616843.db2.gz QIPLRHAHTGGTJF-HSZRJFAPSA-N -1 0 396.487 3.634 20 10 GHCDRM CN(Cc1nc(-c2cccs2)no1)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001598537454 992857144 /nfs/dbraw/zinc/85/71/44/992857144.db2.gz ZQWIRIQMLVDGFM-UHFFFAOYSA-N -1 0 395.440 3.987 20 10 GHCDRM COc1ccc(N[C@@H](C)c2cc(C(=O)[O-])ccc2O)cc1N1CCCCC1=O ZINC001599599239 993791092 /nfs/dbraw/zinc/79/10/92/993791092.db2.gz NECBARNFCRLAGW-ZDUSSCGKSA-N -1 0 384.432 3.789 20 10 GHCDRM COC[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001599193694 997176470 /nfs/dbraw/zinc/17/64/70/997176470.db2.gz WFFJZCLXZDJDPC-NRFANRHFSA-N -1 0 396.447 3.606 20 10 GHCDRM COc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001599507413 997235944 /nfs/dbraw/zinc/23/59/44/997235944.db2.gz 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COC(=O)[C@@H]1CCC[C@@H]1Oc1c(O)c([O-])cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227502949 1032445217 /nfs/dbraw/zinc/44/52/17/1032445217.db2.gz QNVVMJJRUOCVIS-CJNGLKHVSA-N -1 0 396.395 3.592 20 10 GHCDRM CCCCC(=O)[C@@H](CCCC)Oc1c([O-])c(C(=O)OC)sc1C(=O)OC ZINC001227623195 1032489007 /nfs/dbraw/zinc/48/90/07/1032489007.db2.gz QDOFUDICWHUBSU-GFCCVEGCSA-N -1 0 386.466 3.724 20 10 GHCDRM COC(=O)c1sc(C(=O)OC)c(O[C@H](c2ccc(OC)cc2)C(C)C)c1[O-] ZINC001227623722 1032490423 /nfs/dbraw/zinc/49/04/23/1032490423.db2.gz VLMVZEDGAIHWRH-AWEZNQCLSA-N -1 0 394.445 3.812 20 10 GHCDRM O=c1c2ccc([O-])cc2oc(-c2cc(O)c(O)c(O)c2)c1O[C@H]1C=CCCC1 ZINC001227649269 1032501809 /nfs/dbraw/zinc/50/18/09/1032501809.db2.gz GZIOOQPCIOZXMA-ZDUSSCGKSA-N -1 0 382.368 3.770 20 10 GHCDRM CCOC(=O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(OC)c(F)c1 ZINC000779185991 1020481295 /nfs/dbraw/zinc/48/12/95/1020481295.db2.gz MKSLRNSUNJPZMB-INIZCTEOSA-N -1 0 385.794 3.726 20 10 GHCDRM O=C(c1ccc(O)c(O)c1)c1c([O-])cc(O)cc1O[C@@H](c1cccnc1)C1CC1 ZINC001228519832 1032968478 /nfs/dbraw/zinc/96/84/78/1032968478.db2.gz SSOYQFQFRBBIRC-JOCHJYFZSA-N -1 0 393.395 3.665 20 10 GHCDRM COc1ccc(C)cc1-c1csc([N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000754693242 1022834953 /nfs/dbraw/zinc/83/49/53/1022834953.db2.gz GBMASKHTSMPHSQ-UHFFFAOYSA-N -1 0 395.893 3.976 20 10 GHCDRM CN(C)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3F)cs2)c1 ZINC000755078913 1023065334 /nfs/dbraw/zinc/06/53/34/1023065334.db2.gz DQXNWZHLTGDZJI-UHFFFAOYSA-N -1 0 377.466 3.816 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000836615424 1023170752 /nfs/dbraw/zinc/17/07/52/1023170752.db2.gz NISKQCOVVBXMHU-ZBFHGGJFSA-N -1 0 396.274 3.814 20 10 GHCDRM [O-]c1c(Br)cc(Br)cc1CN1CC2(C1)CCOCC2 ZINC000839140539 1025636439 /nfs/dbraw/zinc/63/64/39/1025636439.db2.gz DUISSCOYZCDSIX-UHFFFAOYSA-N -1 0 391.103 3.530 20 10 GHCDRM [O-]c1c(F)ccc(F)c1CN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001139681706 1026535862 /nfs/dbraw/zinc/53/58/62/1026535862.db2.gz BXEUBQCFFVLXSX-YCRPNKLZSA-N -1 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389.265 3.693 20 10 GHCDRM COc1ccc(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c([O-])c1Cl ZINC001236802293 1041904098 /nfs/dbraw/zinc/90/40/98/1041904098.db2.gz RUYBBCDQRIKVKG-HNNXBMFYSA-N -1 0 393.915 3.560 20 10 GHCDRM CCOC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])Cc2cnn(CC3CC3)c21 ZINC001237617469 1042284080 /nfs/dbraw/zinc/28/40/80/1042284080.db2.gz AEGWOBXUCJWWOE-MRXNPFEDSA-N -1 0 393.890 3.927 20 10 GHCDRM CCn1ncc2c1CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]2COCC1CC1 ZINC001237618726 1042285034 /nfs/dbraw/zinc/28/50/34/1042285034.db2.gz LKLVWQFNFBGPLO-HNNXBMFYSA-N -1 0 393.890 3.927 20 10 GHCDRM CCOCc1nn(CC2CC2)c2c1CN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237618340 1042285304 /nfs/dbraw/zinc/28/53/04/1042285304.db2.gz ICSFHLIANVRXCW-UHFFFAOYSA-N -1 0 393.890 3.886 20 10 GHCDRM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000740610284 1044028626 /nfs/dbraw/zinc/02/86/26/1044028626.db2.gz VYGZKLNWUXIPFY-UHFFFAOYSA-N -1 0 375.450 3.632 20 10 GHCDRM CCc1c(C)sc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C(N)=O ZINC001260308208 1045452427 /nfs/dbraw/zinc/45/24/27/1045452427.db2.gz IVGJBDPKYYPJHA-UHFFFAOYSA-N -1 0 393.317 3.825 20 10 GHCDRM O=S(=O)([N-]c1ccccc1SC(F)(F)F)c1cccc2nonc21 ZINC001260440919 1045496281 /nfs/dbraw/zinc/49/62/81/1045496281.db2.gz YRSYHUMBFSEDGA-UHFFFAOYSA-N -1 0 375.353 3.636 20 10 GHCDRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Cl)c2nonc21 ZINC001261066205 1045884762 /nfs/dbraw/zinc/88/47/62/1045884762.db2.gz NFKVFOLGWIATEZ-UHFFFAOYSA-N -1 0 377.731 3.696 20 10 GHCDRM O=C([O-])C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2o1 ZINC000727264850 1048236023 /nfs/dbraw/zinc/23/60/23/1048236023.db2.gz YIGJMYUPFZKXJF-PTNGSMBKSA-N -1 0 382.391 3.819 20 10 GHCDRM CCOC(=O)c1c(NC(=O)CC(C)(C)C(=O)[O-])sc2c1CC[C@@H](CC)C2 ZINC000734506064 1049722809 /nfs/dbraw/zinc/72/28/09/1049722809.db2.gz AYLPPZQKTVVKSB-LLVKDONJSA-N -1 0 381.494 3.879 20 10 GHCDRM O=C([O-])CN1C(=O)/C(=C\c2cc(C(F)(F)F)ccc2Cl)SC1=S ZINC000753683548 1049828677 /nfs/dbraw/zinc/82/86/77/1049828677.db2.gz 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CCOC(=O)c1c(NC(=O)CCNC(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000737149441 599711229 /nfs/dbraw/zinc/71/12/29/599711229.db2.gz USWFOYFNCOOXJS-UHFFFAOYSA-N -1 0 390.461 3.805 20 10 GHCDRM CC1CCN(c2ccc(CNC(=O)NCCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000736799449 599881635 /nfs/dbraw/zinc/88/16/35/599881635.db2.gz QYYUMGDQZKHETN-UHFFFAOYSA-N -1 0 395.503 3.663 20 10 GHCDRM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C(=O)[O-])ccc2O)cc1 ZINC000738017702 599942632 /nfs/dbraw/zinc/94/26/32/599942632.db2.gz LVPPQYQPZFQHNY-FQEVSTJZSA-N -1 0 390.395 3.870 20 10 GHCDRM Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738915007 599969186 /nfs/dbraw/zinc/96/91/86/599969186.db2.gz JOSQDYXWYALYSW-IQCBXXCUSA-N -1 0 390.827 3.729 20 10 GHCDRM O=C([O-])CCCN1C(=O)/C(=C\c2csc(-c3cccs3)n2)SC1=S ZINC000728569196 599991593 /nfs/dbraw/zinc/99/15/93/599991593.db2.gz QGPSMRLBYWGYJX-YRNVUSSQSA-N -1 0 396.540 3.938 20 10 GHCDRM Cc1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)n1-c1ccc(F)cc1 ZINC000738350398 600135421 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393.439 3.627 20 10 GHCDRM O=C([O-])NCc1ccc2c(c1)CCCN2Cc1ccc(Br)cn1 ZINC000740674743 602690976 /nfs/dbraw/zinc/69/09/76/602690976.db2.gz VYHMUTUAYAUNHZ-UHFFFAOYSA-N -1 0 376.254 3.565 20 10 GHCDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000825433384 603378451 /nfs/dbraw/zinc/37/84/51/603378451.db2.gz BTZQASIABBRMCQ-OAHLLOKOSA-N -1 0 382.464 3.937 20 10 GHCDRM CCCN(Cc1ccccc1O)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826912234 604620632 /nfs/dbraw/zinc/62/06/32/604620632.db2.gz UMLLNAKQCFHYBG-HNNXBMFYSA-N -1 0 385.464 3.843 20 10 GHCDRM Cc1ccc(-c2n[nH]cc2C=C2CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000685649418 835261368 /nfs/dbraw/zinc/26/13/68/835261368.db2.gz IWGAONAVMMPLIX-XNTDXEJSSA-N -1 0 398.422 3.738 20 10 GHCDRM Cc1ccccc1-c1csc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000177068145 835730193 /nfs/dbraw/zinc/73/01/93/835730193.db2.gz BGBFQBGWXWVVOP-UHFFFAOYSA-N -1 0 376.507 3.772 20 10 GHCDRM CC(=O)N1Cc2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc2C1 ZINC000376789760 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/nfs/dbraw/zinc/09/84/30/914098430.db2.gz FTHGTTYYFZCQRT-UHFFFAOYSA-N -1 0 396.827 3.990 20 10 GHCDRM CC[C@H](C)CN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000131146827 897337166 /nfs/dbraw/zinc/33/71/66/897337166.db2.gz FXVBLALWGDQPTP-ZDUSSCGKSA-N -1 0 396.534 3.763 20 10 GHCDRM COCc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccccc2OC)cs1 ZINC000778661393 898049876 /nfs/dbraw/zinc/04/98/76/898049876.db2.gz MWMQWKXSXABKDP-UHFFFAOYSA-N -1 0 390.486 3.766 20 10 GHCDRM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000822554511 898470424 /nfs/dbraw/zinc/47/04/24/898470424.db2.gz YESYOJNERKYGLZ-UHFFFAOYSA-N -1 0 385.514 3.600 20 10 GHCDRM CCOc1ccc(O)c(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000013262438 899104500 /nfs/dbraw/zinc/10/45/00/899104500.db2.gz MOEUIFUUPJYBPW-PTNGSMBKSA-N -1 0 395.502 3.637 20 10 GHCDRM O=C([O-])/C=C/c1ccc(N2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000844209714 900603961 /nfs/dbraw/zinc/60/39/61/900603961.db2.gz MASGOUONYDWAFA-OEAKIKGJSA-N -1 0 380.400 3.719 20 10 GHCDRM COc1ccsc1S(=O)(=O)[N-]c1nc(-c2ccccc2OC)cs1 ZINC000159553750 903564433 /nfs/dbraw/zinc/56/44/33/903564433.db2.gz IHGAFOHIXZQWFR-UHFFFAOYSA-N -1 0 382.488 3.690 20 10 GHCDRM COC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C)c(C)c1 ZINC000779181470 905164827 /nfs/dbraw/zinc/16/48/27/905164827.db2.gz PTWDPCGUPPHOAA-INIZCTEOSA-N -1 0 378.812 3.575 20 10 GHCDRM COc1cc(C(=O)[O-])ccc1Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001174677404 907143242 /nfs/dbraw/zinc/14/32/42/907143242.db2.gz XAVMGWMBYATKBW-UHFFFAOYSA-N -1 0 389.363 3.618 20 10 GHCDRM Nc1ccc(OC(=O)c2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 ZINC001176679053 908206658 /nfs/dbraw/zinc/20/66/58/908206658.db2.gz BALNXGBJHGFSQI-UHFFFAOYSA-N -1 0 393.355 3.838 20 10 GHCDRM Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc(C(=O)[O-])cc2)cc1 ZINC001176712185 908241515 /nfs/dbraw/zinc/24/15/15/908241515.db2.gz FRVYBPXFMQJUCZ-UHFFFAOYSA-N -1 0 382.441 3.802 20 10 GHCDRM CC[C@H]1CO[C@H](C)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC001180523204 910200238 /nfs/dbraw/zinc/20/02/38/910200238.db2.gz QLOFNYNMLNVBEJ-SKDRFNHKSA-N -1 0 393.119 3.917 20 10 GHCDRM O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1[O-] ZINC000775285966 916802258 /nfs/dbraw/zinc/80/22/58/916802258.db2.gz GYMPDOSRYCUUNI-UHFFFAOYSA-N -1 0 396.730 3.773 20 10 GHCDRM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(F)cc(F)c1F ZINC001190403499 917303398 /nfs/dbraw/zinc/30/33/98/917303398.db2.gz IZNXGDRXKUUUQX-UHFFFAOYSA-N -1 0 384.423 3.573 20 10 GHCDRM O=[N+]([O-])c1cc(Cl)cc(CNc2cc(F)c(N3CCOCC3)cc2F)c1[O-] ZINC000796529619 918072028 /nfs/dbraw/zinc/07/20/28/918072028.db2.gz OTJWYNDUBXLGHV-UHFFFAOYSA-N -1 0 399.781 3.681 20 10 GHCDRM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000800846685 920522873 /nfs/dbraw/zinc/52/28/73/920522873.db2.gz VGFMJMJHWVIXPN-UHFFFAOYSA-N -1 0 384.392 3.533 20 10 GHCDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3nc(-c4ccccn4)cs3)ccc2O1 ZINC000753155754 929231030 /nfs/dbraw/zinc/23/10/30/929231030.db2.gz QZRGBULSPRNKRR-UHFFFAOYSA-N -1 0 387.486 3.719 20 10 GHCDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3nc(-c4cccnc4)cs3)ccc2O1 ZINC000753155634 929231316 /nfs/dbraw/zinc/23/13/16/929231316.db2.gz PVHOMHVDVPCVOE-UHFFFAOYSA-N -1 0 387.486 3.719 20 10 GHCDRM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000781920553 931029599 /nfs/dbraw/zinc/02/95/99/931029599.db2.gz OQQDABDIZOVCCD-INIZCTEOSA-N -1 0 398.887 3.591 20 10 GHCDRM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)SC1=S ZINC000782179156 931110008 /nfs/dbraw/zinc/11/00/08/931110008.db2.gz MBYOPCFOTLPDER-NTMALXAHSA-N -1 0 386.476 3.503 20 10 GHCDRM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C)cc3)c(C)s2)cn1 ZINC000799636489 933073731 /nfs/dbraw/zinc/07/37/31/933073731.db2.gz QRCOZQHTMLUPGZ-UHFFFAOYSA-N -1 0 375.475 3.631 20 10 GHCDRM CCOCc1ccc(NC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC001116902797 933820196 /nfs/dbraw/zinc/82/01/96/933820196.db2.gz SVJIGPKXSRLHPL-UHFFFAOYSA-N -1 0 392.839 3.701 20 10 GHCDRM COCCN(CCC(=O)[O-])C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC001604604837 973716565 /nfs/dbraw/zinc/71/65/65/973716565.db2.gz OAZCGYXWYMKPBV-UHFFFAOYSA-N -1 0 398.463 3.731 20 10 GHCDRM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCCC(=O)[O-])cc1 ZINC000848449751 979471697 /nfs/dbraw/zinc/47/16/97/979471697.db2.gz XULRYBHNZPWHSW-UHFFFAOYSA-N -1 0 384.476 3.939 20 10 GHCDRM CCC[C@@](C)([NH2+]Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC001595560353 981448689 /nfs/dbraw/zinc/44/86/89/981448689.db2.gz WOKCAALIFSAQEB-CYBMUJFWSA-N -1 0 395.091 3.650 20 10 GHCDRM CCCN(Cc1ccccc1O)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595891519 982927280 /nfs/dbraw/zinc/92/72/80/982927280.db2.gz WCFNHWQQNUIPBD-CYBMUJFWSA-N -1 0 390.411 3.827 20 10 GHCDRM CC(=O)Nc1cccc2c1CCCN2Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001589215666 985709671 /nfs/dbraw/zinc/70/96/71/985709671.db2.gz FXUUXXIQIKWQHW-UHFFFAOYSA-N -1 0 395.434 3.927 20 10 GHCDRM C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1cccc(Cl)c1 ZINC001589341585 986253268 /nfs/dbraw/zinc/25/32/68/986253268.db2.gz HUABSSOEKIJGPI-NSHDSACASA-N -1 0 382.243 3.916 20 10 GHCDRM CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001598317692 991306107 /nfs/dbraw/zinc/30/61/07/991306107.db2.gz LZVXJOQCVHCOSZ-CSKARUKUSA-N -1 0 396.365 3.648 20 10 GHCDRM CN(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC001598328551 991351610 /nfs/dbraw/zinc/35/16/10/991351610.db2.gz RXFGURODACZMHU-UHFFFAOYSA-N -1 0 383.231 3.775 20 10 GHCDRM CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598519432 992660981 /nfs/dbraw/zinc/66/09/81/992660981.db2.gz QDSHHUPDAQYHCI-NZQKXSOJSA-N -1 0 378.472 3.504 20 10 GHCDRM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC001599584349 993592503 /nfs/dbraw/zinc/59/25/03/993592503.db2.gz NGJPSIHAESUTEO-INIZCTEOSA-N -1 0 384.476 3.795 20 10 GHCDRM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC001599597917 993772780 /nfs/dbraw/zinc/77/27/80/993772780.db2.gz AUUNKJLWLIDFGL-GFCCVEGCSA-N -1 0 388.420 3.769 20 10 GHCDRM C[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1cc(Br)cc(F)c1[O-] ZINC001593303180 994731952 /nfs/dbraw/zinc/73/19/52/994731952.db2.gz DPAQEMXMEHNNKS-SNVBAGLBSA-N -1 0 398.228 3.608 20 10 GHCDRM C[C@@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001593330522 994894565 /nfs/dbraw/zinc/89/45/65/994894565.db2.gz JBPDWUXBWJGXFD-CQSZACIVSA-N -1 0 398.484 3.644 20 10 GHCDRM COC(=O)[C@H](C)Cc1ccc(NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])cc1 ZINC001598687269 995015027 /nfs/dbraw/zinc/01/50/27/995015027.db2.gz DSGCGOAATAJGFA-CYBMUJFWSA-N -1 0 398.434 3.979 20 10 GHCDRM CO[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)[C@](C)(C(=O)[O-])C1 ZINC001599129234 997910104 /nfs/dbraw/zinc/91/01/04/997910104.db2.gz FHWCKXCJIXFWPW-CVDCTZTESA-N -1 0 398.503 3.922 20 10 GHCDRM CCCOC[C@@H](C)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227031398 1032243947 /nfs/dbraw/zinc/24/39/47/1032243947.db2.gz HFQARWFFARDWDK-GFCCVEGCSA-N -1 0 386.400 3.771 20 10 GHCDRM CCOC(=O)c1sc(C(=O)OCC)c(O[C@H](C)c2ccc(OC)cc2)c1[O-] ZINC001227494340 1032440659 /nfs/dbraw/zinc/44/06/59/1032440659.db2.gz XNAYWQDQJXQCBF-LLVKDONJSA-N -1 0 394.445 3.956 20 10 GHCDRM COC(=O)c1sc(C(=O)OC)c(O[C@H]2CCc3ccc(Cl)cc32)c1[O-] ZINC001227621252 1032489311 /nfs/dbraw/zinc/48/93/11/1032489311.db2.gz CUOCRFZJWQUVAT-NSHDSACASA-N -1 0 382.821 3.747 20 10 GHCDRM COc1cc(O[C@@H]2CCC(=O)CC2(C)C)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227657541 1032506826 /nfs/dbraw/zinc/50/68/26/1032506826.db2.gz LTPYPZDCURIZKL-QGZVFWFLSA-N -1 0 398.411 3.893 20 10 GHCDRM C[C@@H]1C[C@H](Oc2cc([O-])cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)CCO1 ZINC001227659760 1032508110 /nfs/dbraw/zinc/50/81/10/1032508110.db2.gz SUWDNQQWWOUADC-MWLCHTKSSA-N -1 0 398.367 3.756 20 10 GHCDRM C[C@H]1CC[C@@H](COc2cc([O-])cc3oc(=O)c4c5cc(O)c(O)cc5oc4c23)O1 ZINC001227664042 1032510299 /nfs/dbraw/zinc/51/02/99/1032510299.db2.gz VWFMJLQKQGBMDO-ONGXEEELSA-N -1 0 398.367 3.756 20 10 GHCDRM Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)c3cccnc3)c1C2=O ZINC001227993278 1032728412 /nfs/dbraw/zinc/72/84/12/1032728412.db2.gz AGCXXIDRNFPQKI-GFCCVEGCSA-N -1 0 375.380 3.717 20 10 GHCDRM O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1cncc(Cl)c1 ZINC000754695412 1022836754 /nfs/dbraw/zinc/83/67/54/1022836754.db2.gz XZUBUNDVZIGYKY-UHFFFAOYSA-N -1 0 379.850 3.552 20 10 GHCDRM COCc1noc2c1CN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001141369050 1024746087 /nfs/dbraw/zinc/74/60/87/1024746087.db2.gz KWEUWGVZPYRWEQ-UHFFFAOYSA-N -1 0 387.661 3.501 20 10 GHCDRM [O-]c1c(F)ccc(F)c1CN1CCN(c2cccc(Br)c2)CC1 ZINC001139683250 1026536974 /nfs/dbraw/zinc/53/69/74/1026536974.db2.gz JLDVQZCTYGDTNK-UHFFFAOYSA-N -1 0 383.236 3.755 20 10 GHCDRM Cc1oc2c(ccc([O-])c2CN2CCO[C@@H](CF)C2)c(=O)c1-c1ccccc1 ZINC000840172001 1027307257 /nfs/dbraw/zinc/30/72/57/1027307257.db2.gz LEXCKJWYEPJKAG-INIZCTEOSA-N -1 0 383.419 3.644 20 10 GHCDRM [O-]c1c(Br)cc(Br)cc1CN1Cc2ncsc2C1 ZINC001203568313 1027439396 /nfs/dbraw/zinc/43/93/96/1027439396.db2.gz KBSIVLHRZJSODT-UHFFFAOYSA-N -1 0 390.100 3.890 20 10 GHCDRM CCOCc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1OC ZINC000841800056 1028945721 /nfs/dbraw/zinc/94/57/21/1028945721.db2.gz GGVBDVFBSIDPIO-SFHVURJKSA-N -1 0 381.831 3.940 20 10 GHCDRM COc1cc(Nc2c(CC(=O)[O-])cccc2C(=O)c2ccccc2)cnc1F ZINC001216422435 1029633524 /nfs/dbraw/zinc/63/35/24/1029633524.db2.gz CEHPHYZIZZLWHI-UHFFFAOYSA-N -1 0 380.375 3.831 20 10 GHCDRM CCC(CC)[C@@H](CC)Oc1c(O)c([O-])cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229773945 1033703760 /nfs/dbraw/zinc/70/37/60/1033703760.db2.gz STJXLKVIVCYPNZ-CYBMUJFWSA-N -1 0 390.388 3.610 20 10 GHCDRM CC[C@@H](C)CC[C@@H](C)Oc1c(O)c([O-])cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229777994 1033706877 /nfs/dbraw/zinc/70/68/77/1033706877.db2.gz WRQQOTUXUGDBDZ-NXEZZACHSA-N -1 0 390.388 3.610 20 10 GHCDRM C[C@@H](Oc1c(=O)c2c(O)cc([O-])c(O)c2oc1-c1ccc(O)cc1)C(F)(F)F ZINC001230165620 1033926530 /nfs/dbraw/zinc/92/65/30/1033926530.db2.gz HCPJFVUNLNCDLA-SSDOTTSWSA-N -1 0 398.289 3.612 20 10 GHCDRM O=c1c(O[C@H]2C=CCCC2)c(-c2ccc(O)cc2)oc2c(O)c([O-])cc(O)c12 ZINC001230166813 1033926765 /nfs/dbraw/zinc/92/67/65/1033926765.db2.gz UOCITWRYNHTHMD-ZDUSSCGKSA-N -1 0 382.368 3.770 20 10 GHCDRM CCCCN1CC[C@@]2(CCCN2Cc2cc(Br)c(F)cc2[O-])C1=O ZINC001276517545 1034212206 /nfs/dbraw/zinc/21/22/06/1034212206.db2.gz CGSVYJQPGYVLSV-SFHVURJKSA-N -1 0 399.304 3.661 20 10 GHCDRM COc1cc(CN(C)Cc2cc(Cl)cc(Br)c2[O-])sn1 ZINC001207666021 1034517477 /nfs/dbraw/zinc/51/74/77/1034517477.db2.gz SNYFYHUQEFXBRF-UHFFFAOYSA-N -1 0 377.691 3.905 20 10 GHCDRM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2[O-])CC1(F)F ZINC001231912360 1034986861 /nfs/dbraw/zinc/98/68/61/1034986861.db2.gz FOMJQSBFTQBHKU-ZDUSSCGKSA-N -1 0 376.831 3.780 20 10 GHCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001160600480 1035013733 /nfs/dbraw/zinc/01/37/33/1035013733.db2.gz SXWIKATYOQTJFD-OAHLLOKOSA-N -1 0 379.243 3.580 20 10 GHCDRM Cc1ccc2ncc(C(=O)NCc3cc(Cl)cc(Cl)c3[O-])c(O)c2c1 ZINC001161442301 1035232239 /nfs/dbraw/zinc/23/22/39/1035232239.db2.gz GLTUUMJJGJAHPL-UHFFFAOYSA-N -1 0 377.227 3.779 20 10 GHCDRM CCOC(=O)CN(Cc1ccccc1)Cc1c([O-])cc(Br)cc1F ZINC001233026962 1038778697 /nfs/dbraw/zinc/77/86/97/1038778697.db2.gz JLYISBUSSWQRLT-UHFFFAOYSA-N -1 0 396.256 3.859 20 10 GHCDRM [O-]c1cc(Br)cc(F)c1CN1CCC(O)(c2ccccc2F)CC1 ZINC001233029375 1038780646 /nfs/dbraw/zinc/78/06/46/1038780646.db2.gz BUVMTRKELYDJBU-UHFFFAOYSA-N -1 0 398.247 3.917 20 10 GHCDRM [O-]c1cc(Br)cc(F)c1CN1CCO[C@@H](COc2ccccc2)C1 ZINC001233029721 1038780672 /nfs/dbraw/zinc/78/06/72/1038780672.db2.gz HQZBHPNEFNFYTN-OAHLLOKOSA-N -1 0 396.256 3.574 20 10 GHCDRM Cc1ccc2c(n1)N(Cc1ccncc1)CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001233075035 1038837864 /nfs/dbraw/zinc/83/78/64/1038837864.db2.gz PLWNKUKSGICREY-UHFFFAOYSA-N -1 0 396.441 3.791 20 10 GHCDRM [O-]c1c(CN2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)ccc(F)c1F ZINC001233074646 1038840145 /nfs/dbraw/zinc/84/01/45/1038840145.db2.gz LWWRNWQLMXNPBJ-HRAATJIYSA-N -1 0 390.430 3.516 20 10 GHCDRM CC[N@H+](Cc1ccccc1O)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308700 1039099652 /nfs/dbraw/zinc/09/96/52/1039099652.db2.gz BFGCKGQEHGJTPC-UHFFFAOYSA-N -1 0 394.265 3.669 20 10 GHCDRM CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001233496390 1039389399 /nfs/dbraw/zinc/38/93/99/1039389399.db2.gz FWFFASHYLAQXGD-UVBSCNOISA-N -1 0 391.464 3.715 20 10 GHCDRM O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001277830004 1039809941 /nfs/dbraw/zinc/80/99/41/1039809941.db2.gz LFPDFEIMIIXEHS-NSHDSACASA-N -1 0 393.261 3.682 20 10 GHCDRM C[C@H]1CC[C@H](Oc2c(=O)c3c(O)c(O)c([O-])cc3oc2-c2ccc(O)cc2)C1 ZINC001234740269 1040265019 /nfs/dbraw/zinc/26/50/19/1040265019.db2.gz VUUUGMSSDZLIKM-GWCFXTLKSA-N -1 0 384.384 3.850 20 10 GHCDRM CC(C)(C)OC(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235064014 1040552491 /nfs/dbraw/zinc/55/24/91/1040552491.db2.gz CWHDGKNBPLKFJO-UHFFFAOYSA-N -1 0 388.277 3.848 20 10 GHCDRM [O-]c1c(F)cc(Br)cc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001235069484 1040559893 /nfs/dbraw/zinc/55/98/93/1040559893.db2.gz UQABTCWJLQQOPV-UHFFFAOYSA-N -1 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