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)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000745978384 735456047 /nfs/dbraw/zinc/45/60/47/735456047.db2.gz VCUBJICGSAPCCS-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC000322405546 729753502 /nfs/dbraw/zinc/75/35/02/729753502.db2.gz QKZIACDXEALWRX-UHFFFAOYSA-N -1 2 357.819 2.860 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000324916923 729757732 /nfs/dbraw/zinc/75/77/32/729757732.db2.gz YOKAZWPCPMSAKL-UHFFFAOYSA-N -1 2 352.412 2.794 20 0 FFADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(F)c(F)c([O-])c1F ZINC000671855622 733472002 /nfs/dbraw/zinc/47/20/02/733472002.db2.gz PLTAFUQERQJDIC-UHFFFAOYSA-N -1 2 350.256 2.553 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749142051 735697838 /nfs/dbraw/zinc/69/78/38/735697838.db2.gz OCMPMTXAMLTOIO-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2cccnc2Cl)c(C(=O)[O-])c1 ZINC000758943226 736534616 /nfs/dbraw/zinc/53/46/16/736534616.db2.gz CGJMLCZFHKNUGZ-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM COc1cnc([C@H]2CCC[N@H+]2C[C@@H](O)Cc2cccc(Cl)c2)[nH]c1=O ZINC000934279981 739758795 /nfs/dbraw/zinc/75/87/95/739758795.db2.gz RBXIUEZTLADZIZ-LSDHHAIUSA-N -1 2 363.845 2.585 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1F ZINC000795381245 740013753 /nfs/dbraw/zinc/01/37/53/740013753.db2.gz PDVIBFGYNJZGKX-SECBINFHSA-N -1 2 371.361 2.826 20 0 FFADLM Cc1cccc2c(=O)c(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)c[nH]c12 ZINC001594411152 958949178 /nfs/dbraw/zinc/94/91/78/958949178.db2.gz JTIHPAZCYNYXGX-NVXWUHKLSA-N -1 2 362.385 2.880 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1C(=O)[O-] ZINC000504241570 962238219 /nfs/dbraw/zinc/23/82/19/962238219.db2.gz OVFXRRLBQSUCRB-UHFFFAOYSA-N -1 2 374.422 2.501 20 0 FFADLM Cc1[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccsc2)c(C)c1C(=O)[O-] ZINC001599948534 985570059 /nfs/dbraw/zinc/57/00/59/985570059.db2.gz PLZGIQOLCLKERQ-JTQLQIEISA-N -1 2 355.437 2.577 20 0 FFADLM Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3nnc4ccccn43)cc(=O)oc12 ZINC000172613850 985625032 /nfs/dbraw/zinc/62/50/32/985625032.db2.gz ZZHIFVVPTPHRSF-LBPRGKRZSA-N -1 2 350.378 2.701 20 0 FFADLM OC[C@@]1(F)C[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@H]1c1ccccc1 ZINC000878664642 1015157030 /nfs/dbraw/zinc/15/70/30/1015157030.db2.gz APHOKFRAEOMPMF-JXFKEZNVSA-N -1 2 369.396 2.742 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC001597942669 989919339 /nfs/dbraw/zinc/91/93/39/989919339.db2.gz AWCRXWARVDNNPX-UHFFFAOYSA-N -1 2 369.468 2.741 20 0 FFADLM COc1ccccc1S(=O)(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599718274 991494308 /nfs/dbraw/zinc/49/43/08/991494308.db2.gz PPPZBHNSOKGUQQ-UHFFFAOYSA-N -1 2 356.425 2.774 20 0 FFADLM CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001591269871 992187061 /nfs/dbraw/zinc/18/70/61/992187061.db2.gz KULHEBIQNIDYPO-UHFFFAOYSA-N -1 2 373.431 2.765 20 0 FFADLM CC(C)COc1ccccc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591409415 992485249 /nfs/dbraw/zinc/48/52/49/992485249.db2.gz GBWITJHSTCGAGU-UHFFFAOYSA-N -1 2 350.396 2.615 20 0 FFADLM COc1cc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccc1F ZINC001599459228 998242067 /nfs/dbraw/zinc/24/20/67/998242067.db2.gz HMWGVZASSVJVQC-UHFFFAOYSA-N -1 2 372.399 2.667 20 0 FFADLM CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201275993 1005193396 /nfs/dbraw/zinc/19/33/96/1005193396.db2.gz ILQNWXNCDVSQTA-SECBINFHSA-N -1 2 355.262 2.894 20 0 FFADLM Cc1cccc2ncc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)n21 ZINC001188282624 1006501029 /nfs/dbraw/zinc/50/10/29/1006501029.db2.gz SLZUCHFDZXOFCR-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM C[NH+]1CCN(c2ccc(F)cc2NC(=O)c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001188286744 1006505465 /nfs/dbraw/zinc/50/54/65/1006505465.db2.gz AAPYARRXGADGJO-UHFFFAOYSA-N -1 2 371.338 2.572 20 0 FFADLM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(Cl)cc(O)cc2Cl)O1 ZINC001142108897 1030033543 /nfs/dbraw/zinc/03/35/43/1030033543.db2.gz DQVIPIJQKNEZRO-RBSFLKMASA-N -1 2 359.253 2.519 20 0 FFADLM Cc1c(O)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220416 1039812141 /nfs/dbraw/zinc/81/21/41/1039812141.db2.gz IEATVSCHZIMETE-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cnc1OC(C)C ZINC001260210388 1040464688 /nfs/dbraw/zinc/46/46/88/1040464688.db2.gz JCGAYNBCJXJCKY-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM COc1ccc2cccnc2c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260229222 1040478114 /nfs/dbraw/zinc/47/81/14/1040478114.db2.gz WVWOCZJAMJXGBO-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001339274526 1056277885 /nfs/dbraw/zinc/27/78/85/1056277885.db2.gz MAZWXLRUHSPUNW-GFCCVEGCSA-N -1 2 359.821 2.784 20 0 FFADLM O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001587879289 1079884988 /nfs/dbraw/zinc/88/49/88/1079884988.db2.gz BVIKYWKCAQMNTB-JTQLQIEISA-N -1 2 364.179 2.528 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cnn1C1CCCC1 ZINC000277566918 256212647 /nfs/dbraw/zinc/21/26/47/256212647.db2.gz JGEZKOUZRUSJIL-UHFFFAOYSA-N -1 2 365.411 2.511 20 0 FFADLM COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000286638546 257046887 /nfs/dbraw/zinc/04/68/87/257046887.db2.gz YTBPVQHIVYTGCJ-HUUCEWRRSA-N -1 2 359.426 2.862 20 0 FFADLM CC(C)Oc1ccc([C@H](CNc2nc3[nH]ncc3c(=O)[nH]2)[NH+](C)C)cc1 ZINC000288165073 257154210 /nfs/dbraw/zinc/15/42/10/257154210.db2.gz DAMBGFKUVXBWNY-HNNXBMFYSA-N -1 2 356.430 2.561 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000326865732 258116082 /nfs/dbraw/zinc/11/60/82/258116082.db2.gz WQNMMAORVKYGDD-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM COCCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000048382686 507513633 /nfs/dbraw/zinc/51/36/33/507513633.db2.gz ZJOSDNSRNIMHPN-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c(O)cnc3ccc(Cl)cc32)C1 ZINC000367220091 512391417 /nfs/dbraw/zinc/39/14/17/512391417.db2.gz QWBTVFNCRPBLNZ-NSHDSACASA-N -1 2 356.813 2.957 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000137812599 508764857 /nfs/dbraw/zinc/76/48/57/508764857.db2.gz CLKSPCLGGJAGBE-UHFFFAOYSA-N -1 2 369.418 2.876 20 0 FFADLM CC(C)[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245560011 510006951 /nfs/dbraw/zinc/00/69/51/510006951.db2.gz IUANOWJNZTXWNT-DZGCQCFKSA-N -1 2 351.813 2.551 20 0 FFADLM CC(C)[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245560011 510006960 /nfs/dbraw/zinc/00/69/60/510006960.db2.gz IUANOWJNZTXWNT-DZGCQCFKSA-N -1 2 351.813 2.551 20 0 FFADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)on1 ZINC000265639065 510151882 /nfs/dbraw/zinc/15/18/82/510151882.db2.gz IUBGEKZTQBXTFZ-CYBMUJFWSA-N -1 2 351.410 2.976 20 0 FFADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000181786695 510591493 /nfs/dbraw/zinc/59/14/93/510591493.db2.gz QMHPJXMXVBLHPE-UHFFFAOYSA-N -1 2 361.379 2.581 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1C ZINC000270404577 510795555 /nfs/dbraw/zinc/79/55/55/510795555.db2.gz GKSLHXVDUVJKCK-UHFFFAOYSA-N -1 2 365.455 2.728 20 0 FFADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000280877538 511638266 /nfs/dbraw/zinc/63/82/66/511638266.db2.gz DFPGYPWYMNBOPL-UHFFFAOYSA-N -1 2 357.819 2.696 20 0 FFADLM CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433808169 513155519 /nfs/dbraw/zinc/15/55/19/513155519.db2.gz OFMGNAADQGYUGX-UHFFFAOYSA-N -1 2 365.407 2.894 20 0 FFADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)cccc21 ZINC000447775170 513566745 /nfs/dbraw/zinc/56/67/45/513566745.db2.gz CDBGCCQWQPMTJT-LBPRGKRZSA-N -1 2 367.379 2.557 20 0 FFADLM CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436717312 513954492 /nfs/dbraw/zinc/95/44/92/513954492.db2.gz BOEZHLZICAMKSY-UHFFFAOYSA-N -1 2 369.370 2.737 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1O ZINC000436993918 514067607 /nfs/dbraw/zinc/06/76/07/514067607.db2.gz IURDBTNCKPACPM-UHFFFAOYSA-N -1 2 350.377 2.501 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000414379446 514078285 /nfs/dbraw/zinc/07/82/85/514078285.db2.gz GHXZYMIWZMVIFX-GFCCVEGCSA-N -1 2 364.423 2.859 20 0 FFADLM COc1cc(S(=O)(=O)Nc2cnoc2C2CC2)c(Cl)cc1C(=O)[O-] ZINC000414390708 514087680 /nfs/dbraw/zinc/08/76/80/514087680.db2.gz YAXKBRFVTIWKAQ-UHFFFAOYSA-N -1 2 372.786 2.713 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cccc1-c1ncco1 ZINC000427292390 514173940 /nfs/dbraw/zinc/17/39/40/514173940.db2.gz PUGREHRKSFSHHH-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507937111 514617569 /nfs/dbraw/zinc/61/75/69/514617569.db2.gz RNMHBDFYFWDWRX-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471124320 514763277 /nfs/dbraw/zinc/76/32/77/514763277.db2.gz LBZBSLVKVGHSHG-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000489289853 514785792 /nfs/dbraw/zinc/78/57/92/514785792.db2.gz ODWZRHMPXLNOAR-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM COc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489614547 514916802 /nfs/dbraw/zinc/91/68/02/514916802.db2.gz YNXFKZIFRONAJX-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1F ZINC000471973339 515072010 /nfs/dbraw/zinc/07/20/10/515072010.db2.gz PAJIIRMBRUYJDK-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481449296 515332337 /nfs/dbraw/zinc/33/23/37/515332337.db2.gz WKHWIVZXOJJUHQ-UHFFFAOYSA-N -1 2 351.380 2.678 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)cc1C(=O)[O-] ZINC000499551098 515367527 /nfs/dbraw/zinc/36/75/27/515367527.db2.gz XMMBMAZICYLFNM-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM CC(C)(C)c1nc(=NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])s[nH]1 ZINC000499928156 515517385 /nfs/dbraw/zinc/51/73/85/515517385.db2.gz CCBIBEKYMKSJKG-UHFFFAOYSA-N -1 2 361.402 2.540 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(OC)c1 ZINC000512781847 516354862 /nfs/dbraw/zinc/35/48/62/516354862.db2.gz YUJVCLNBJFNUTC-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COC(=O)c1csc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000523185941 516405465 /nfs/dbraw/zinc/40/54/65/516405465.db2.gz HSMHKEULLNZSBK-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000548200293 516821880 /nfs/dbraw/zinc/82/18/80/516821880.db2.gz AKSLJCFIBCUPRO-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CCc1cc(=O)[nH]c(-c2ccc(NCCc3[nH]c4ccccc4[nH+]3)nc2)n1 ZINC000558887834 516988410 /nfs/dbraw/zinc/98/84/10/516988410.db2.gz KLSYKYNLBPXQRP-UHFFFAOYSA-N -1 2 360.421 3.338 20 0 FFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000537839652 517371492 /nfs/dbraw/zinc/37/14/92/517371492.db2.gz NMTKIMJENRLALZ-UHFFFAOYSA-N -1 2 372.402 2.671 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)=N2)cc1 ZINC000516927703 517920007 /nfs/dbraw/zinc/92/00/07/517920007.db2.gz WHFRTPOWQXVOHU-CZUORRHYSA-N -1 2 371.437 2.884 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)=N2)cc1 ZINC000516927701 517920286 /nfs/dbraw/zinc/92/02/86/517920286.db2.gz WHFRTPOWQXVOHU-BBRMVZONSA-N -1 2 371.437 2.884 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000530887909 518033421 /nfs/dbraw/zinc/03/34/21/518033421.db2.gz SNRKVJKFTRQNJQ-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM Cc1ccc2c([n-]cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2=O)[nH+]1 ZINC000612012660 521433181 /nfs/dbraw/zinc/43/31/81/521433181.db2.gz DSJZYOHIYOJAEH-QGZVFWFLSA-N -1 2 350.422 2.677 20 0 FFADLM CSc1ccc(O)c(C(=O)N=c2nc(C3CCOCC3)[n-]s2)c1 ZINC000629104028 521968041 /nfs/dbraw/zinc/96/80/41/521968041.db2.gz NFSBWWHYJIORHV-UHFFFAOYSA-N -1 2 351.453 2.534 20 0 FFADLM COCCOc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C)s1 ZINC000629324435 522130898 /nfs/dbraw/zinc/13/08/98/522130898.db2.gz QVMBSDBTZNFCTM-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM CCc1ncc(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630424728 522838130 /nfs/dbraw/zinc/83/81/30/522838130.db2.gz UXSUSHIVEFEHPJ-NWDGAFQWSA-N -1 2 352.437 2.694 20 0 FFADLM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)CCOC1 ZINC000634792000 523664040 /nfs/dbraw/zinc/66/40/40/523664040.db2.gz XONZAWSMAYYXCB-AWEZNQCLSA-N -1 2 367.826 2.511 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1OC ZINC000390315200 599875886 /nfs/dbraw/zinc/87/58/86/599875886.db2.gz OTJMURBZSIROTJ-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM O=C([O-])c1cccc(NC(=O)c2cccc(Br)c2O)c1O ZINC000739484397 599947098 /nfs/dbraw/zinc/94/70/98/599947098.db2.gz QZZVIMOZAPIYSR-UHFFFAOYSA-N -1 2 352.140 2.811 20 0 FFADLM CC(C)Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000320188455 600053154 /nfs/dbraw/zinc/05/31/54/600053154.db2.gz PMWOJLRCEPKZFG-UHFFFAOYSA-N -1 2 354.453 2.770 20 0 FFADLM 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602652634 /nfs/dbraw/zinc/65/26/34/602652634.db2.gz TWRFPFPASHWNGU-UHFFFAOYSA-N -1 2 367.358 2.675 20 0 FFADLM CCN(Cc1ccccc1NS(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000739445214 602653985 /nfs/dbraw/zinc/65/39/85/602653985.db2.gz ORANAVJNGYDMNO-UHFFFAOYSA-N -1 2 353.375 2.521 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000833243210 604625465 /nfs/dbraw/zinc/62/54/65/604625465.db2.gz CCGDHZJPUPAPSE-UHFFFAOYSA-N -1 2 364.807 2.754 20 0 FFADLM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156323230 728847939 /nfs/dbraw/zinc/84/79/39/728847939.db2.gz RKUSSQZXBHNERT-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM C[N@@H+](Cc1cc(F)ccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000185578022 729352317 /nfs/dbraw/zinc/35/23/17/729352317.db2.gz JQAXUQURZKTJFF-HNNXBMFYSA-N -1 2 367.218 2.952 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc(C(=O)[O-])c1F ZINC000187722837 729380221 /nfs/dbraw/zinc/38/02/21/729380221.db2.gz BSHYYZDYEBCIMZ-SNVBAGLBSA-N -1 2 367.402 2.801 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc(C(=O)[O-])c1F ZINC000187722818 729380231 /nfs/dbraw/zinc/38/02/31/729380231.db2.gz BSHYYZDYEBCIMZ-JTQLQIEISA-N -1 2 367.402 2.801 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)nc2C)cc1C(=O)[O-] ZINC000193499837 729481303 /nfs/dbraw/zinc/48/13/03/729481303.db2.gz NGCHUKRRWSCSSX-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM CC(C)[C@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(=O)[O-] ZINC000653542218 731271522 /nfs/dbraw/zinc/27/15/22/731271522.db2.gz KESAXTAZTVVNLG-NSHDSACASA-N -1 2 368.846 2.759 20 0 FFADLM CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc3c(c(=O)[nH]1)COCC3)CCC2 ZINC000878273535 732507470 /nfs/dbraw/zinc/50/74/70/732507470.db2.gz ZILIIGMPVSVXDG-AWEZNQCLSA-N -1 2 360.483 2.783 20 0 FFADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccnc3Cl)ccc12 ZINC000732047273 734714204 /nfs/dbraw/zinc/71/42/04/734714204.db2.gz KMOAUBIRGLJIHH-UHFFFAOYSA-N -1 2 351.771 2.715 20 0 FFADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000783874413 738845349 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COC(=O)Nc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000327014903 971356653 /nfs/dbraw/zinc/35/66/53/971356653.db2.gz RJLKEPOTDSHCFF-UHFFFAOYSA-N -1 2 368.367 2.574 20 0 FFADLM CC(C)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC001602982762 972001913 /nfs/dbraw/zinc/00/19/13/972001913.db2.gz BQNMADRFDGKDEG-VIFPVBQESA-N -1 2 364.623 2.895 20 0 FFADLM COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013267485 957003772 /nfs/dbraw/zinc/00/37/72/957003772.db2.gz QJJXCUNABUEMMA-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)s1 ZINC000077471899 957752277 /nfs/dbraw/zinc/75/22/77/957752277.db2.gz FPORKWLOIDZCPF-UHFFFAOYSA-N -1 2 350.377 2.902 20 0 FFADLM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2ccccc2OC(F)F)n1 ZINC000660748628 972735652 /nfs/dbraw/zinc/73/56/52/972735652.db2.gz YDGLNNJARXQEGR-UHFFFAOYSA-N -1 2 366.368 2.555 20 0 FFADLM COC(=O)c1sccc1S(=O)(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396506459 972908461 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358.375 2.742 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnc(C(F)(F)F)c2)c1 ZINC001260209307 1040464987 /nfs/dbraw/zinc/46/49/87/1040464987.db2.gz WVNKIDCTPXMFLH-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CC(C)C[C@H](CNC(=O)c1cc(Br)c(F)cc1O)C(=O)[O-] ZINC001588854717 1080219609 /nfs/dbraw/zinc/21/96/09/1080219609.db2.gz LBQSRNASLHCHOS-MRVPVSSYSA-N -1 2 362.195 2.771 20 0 FFADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000019309232 507164953 /nfs/dbraw/zinc/16/49/53/507164953.db2.gz NFXZHHBUFKETCC-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000057819631 507334152 /nfs/dbraw/zinc/33/41/52/507334152.db2.gz ZCNZSFQZHYJSKW-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM O=c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)[nH]c2scc(-c3ccco3)c21 ZINC000153840773 508660209 /nfs/dbraw/zinc/66/02/09/508660209.db2.gz YDDJCYIERJUYPE-SFHVURJKSA-N -1 2 357.435 2.857 20 0 FFADLM CCOc1cccc(CNC(=O)c2cccc3[nH]nnc32)c1OC(F)F ZINC000188362358 510728302 /nfs/dbraw/zinc/72/83/02/510728302.db2.gz QTLUMVZWZJLCNS-UHFFFAOYSA-N -1 2 362.336 2.888 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000283647769 511447499 /nfs/dbraw/zinc/44/74/99/511447499.db2.gz XZDGSHRCDUXMNT-UHFFFAOYSA-N -1 2 360.439 2.534 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2C(=O)[O-])s1 ZINC000324373771 511836790 /nfs/dbraw/zinc/83/67/90/511836790.db2.gz JZLJYGJDEWVRGM-UHFFFAOYSA-N -1 2 368.436 2.768 20 0 FFADLM Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000296871807 511930833 /nfs/dbraw/zinc/93/08/33/511930833.db2.gz ZTFKOHTWQXYUHQ-UHFFFAOYSA-N -1 2 363.439 2.967 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cn1 ZINC000281786958 511965760 /nfs/dbraw/zinc/96/57/60/511965760.db2.gz HPKDFZZMHMNFKY-UHFFFAOYSA-N -1 2 351.428 2.672 20 0 FFADLM Cc1nn(C)c2ncc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cc12 ZINC000376520011 512855555 /nfs/dbraw/zinc/85/55/55/512855555.db2.gz VLXJZPDAZJLUPM-UHFFFAOYSA-N -1 2 369.335 2.592 20 0 FFADLM C[C@]1(C(=O)[O-])CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000417789898 513208948 /nfs/dbraw/zinc/20/89/48/513208948.db2.gz MSWREHDZIMRENK-HNNXBMFYSA-N -1 2 366.830 2.609 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1F ZINC000436016534 513737320 /nfs/dbraw/zinc/73/73/20/513737320.db2.gz KVRICPSNMFJJFF-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000444424675 514225865 /nfs/dbraw/zinc/22/58/65/514225865.db2.gz MCUQUCHQOHPDOP-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000507888013 514598361 /nfs/dbraw/zinc/59/83/61/514598361.db2.gz LTZSMMRFGAMBKQ-NSHDSACASA-N -1 2 351.428 2.970 20 0 FFADLM COCCc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000466415868 514641530 /nfs/dbraw/zinc/64/15/30/514641530.db2.gz IFCVXXOFMYVHJC-UHFFFAOYSA-N -1 2 367.398 2.822 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000471137701 514766961 /nfs/dbraw/zinc/76/69/61/514766961.db2.gz VEXYPCOMSLIDEU-UHFFFAOYSA-N -1 2 352.393 2.737 20 0 FFADLM CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)CC1 ZINC000503073281 514905353 /nfs/dbraw/zinc/90/53/53/514905353.db2.gz KTVGXRBPDGNBBA-ZDUSSCGKSA-N -1 2 362.289 2.554 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000471566293 514931588 /nfs/dbraw/zinc/93/15/88/514931588.db2.gz MWNYMHUHIDFUBV-UHFFFAOYSA-N -1 2 360.391 2.686 20 0 FFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000485265878 514980330 /nfs/dbraw/zinc/98/03/30/514980330.db2.gz BPJVTTJIHCAYGX-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM COc1ccc(CN2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)cc1F ZINC000459317874 515466597 /nfs/dbraw/zinc/46/65/97/515466597.db2.gz VAQGDQVPORFVSE-UHFFFAOYSA-N -1 2 372.444 2.525 20 0 FFADLM Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000463790034 515616738 /nfs/dbraw/zinc/61/67/38/515616738.db2.gz WIRZLENBVKPIRR-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(C)s2)cc1)C(=O)[O-] ZINC000463800914 515620821 /nfs/dbraw/zinc/62/08/21/515620821.db2.gz UNFVMLBLUWNXEC-LBPRGKRZSA-N -1 2 354.453 2.906 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000506995794 516048594 /nfs/dbraw/zinc/04/85/94/516048594.db2.gz WOLPIBHXMNXFIJ-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C ZINC000537197081 517083221 /nfs/dbraw/zinc/08/32/21/517083221.db2.gz JQWTURWFGHPTIV-LLVKDONJSA-N -1 2 351.428 2.970 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1O ZINC000519741683 517155364 /nfs/dbraw/zinc/15/53/64/517155364.db2.gz HDEDXNJSLJSAOE-UHFFFAOYSA-N -1 2 367.354 2.541 20 0 FFADLM O=C([O-])[C@H]1c2ccoc2CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000530165141 517604271 /nfs/dbraw/zinc/60/42/71/517604271.db2.gz DSOBDDNLRULOGB-FXAWDEMLSA-N -1 2 370.449 2.555 20 0 FFADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1Cl ZINC000557423575 517997430 /nfs/dbraw/zinc/99/74/30/517997430.db2.gz IFDBQHLMCYDPNG-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000539398448 518027456 /nfs/dbraw/zinc/02/74/56/518027456.db2.gz HKAUPYDRUBYICO-LBPRGKRZSA-N -1 2 365.455 2.981 20 0 FFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000539398447 518027952 /nfs/dbraw/zinc/02/79/52/518027952.db2.gz HKAUPYDRUBYICO-GFCCVEGCSA-N -1 2 365.455 2.981 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000567870461 518759501 /nfs/dbraw/zinc/75/95/01/518759501.db2.gz BWFUVDADKVXTKH-SNVBAGLBSA-N -1 2 367.402 2.801 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H](CC(=O)[O-])C2)s[nH]1 ZINC000582535887 518801335 /nfs/dbraw/zinc/80/13/35/518801335.db2.gz ZVSVRFRVFQACRY-SNVBAGLBSA-N -1 2 366.468 2.716 20 0 FFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000577334950 519025779 /nfs/dbraw/zinc/02/57/79/519025779.db2.gz LNPJHTQGHKVLGI-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM COCCOc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1sccc1C ZINC000629323768 522130045 /nfs/dbraw/zinc/13/00/45/522130045.db2.gz JPPMZXYIGIQOMN-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000048325093 599851313 /nfs/dbraw/zinc/85/13/13/599851313.db2.gz ZCGUUUDUDBZOHP-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000738310149 600055995 /nfs/dbraw/zinc/05/59/95/600055995.db2.gz IMUYSOOFYAVJKF-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736492527 600233280 /nfs/dbraw/zinc/23/32/80/600233280.db2.gz CNHOQIKBJSRUHW-UHFFFAOYSA-N -1 2 372.349 2.646 20 0 FFADLM Cc1ccc(-c2cc(C(=O)Nc3nnc(CCC(=O)[O-])s3)on2)cc1 ZINC000738488185 600628280 /nfs/dbraw/zinc/62/82/80/600628280.db2.gz JLWPWMYMJSDIGP-UHFFFAOYSA-N -1 2 358.379 2.771 20 0 FFADLM COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000326895576 600808714 /nfs/dbraw/zinc/80/87/14/600808714.db2.gz JLIBLCIQLVZIJH-UHFFFAOYSA-N -1 2 366.439 2.830 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1C(=O)[O-] ZINC000390280298 600827004 /nfs/dbraw/zinc/82/70/04/600827004.db2.gz LVDWEWUYBVXFRB-UHFFFAOYSA-N -1 2 371.827 2.787 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000324773123 601324497 /nfs/dbraw/zinc/32/44/97/601324497.db2.gz ZXSGHTRKTVUELE-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)ccc1F ZINC000833306246 601362100 /nfs/dbraw/zinc/36/21/00/601362100.db2.gz JANQIZJNFRLFDZ-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000749876641 601388013 /nfs/dbraw/zinc/38/80/13/601388013.db2.gz UHUISVUOUBZHAF-UHFFFAOYSA-N -1 2 363.366 2.844 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)c(F)cc1F ZINC000832904538 601831285 /nfs/dbraw/zinc/83/12/85/601831285.db2.gz QXYIPFIQCWEQOW-UHFFFAOYSA-N -1 2 357.334 2.537 20 0 FFADLM CC(C)c1cccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC000827134278 602104568 /nfs/dbraw/zinc/10/45/68/602104568.db2.gz OOQDBKIBAKHGNG-UHFFFAOYSA-N -1 2 369.468 2.870 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)s1 ZINC000833324256 602307478 /nfs/dbraw/zinc/30/74/78/602307478.db2.gz QSUYMNZJCWRMCA-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000740096000 602544710 /nfs/dbraw/zinc/54/47/10/602544710.db2.gz DXPKLQLQOIPCFD-CQSZACIVSA-N -1 2 351.366 2.728 20 0 FFADLM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000740529972 603182963 /nfs/dbraw/zinc/18/29/63/603182963.db2.gz RCKWSHDSBHFYSF-UHFFFAOYSA-N -1 2 368.361 2.802 20 0 FFADLM Cc1ccc(Br)c(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000833747217 604536070 /nfs/dbraw/zinc/53/60/70/604536070.db2.gz DPLHCRHOBFULKY-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM C[C@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824711336 604823417 /nfs/dbraw/zinc/82/34/17/604823417.db2.gz VAIMYGCHTPSDIX-SNVBAGLBSA-N -1 2 363.443 2.888 20 0 FFADLM O=C([O-])N[C@@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000834131221 605604732 /nfs/dbraw/zinc/60/47/32/605604732.db2.gz WCXWIAGEUOPNQT-NSHDSACASA-N -1 2 357.395 2.871 20 0 FFADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000834119712 605877761 /nfs/dbraw/zinc/87/77/61/605877761.db2.gz HCPSGVKSDCTCFT-UHFFFAOYSA-N -1 2 373.843 2.633 20 0 FFADLM O=C([O-])N(CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)CC1CC1 ZINC000834069272 605971175 /nfs/dbraw/zinc/97/11/75/605971175.db2.gz QRQJYMXXKFTKCE-HNNXBMFYSA-N -1 2 369.425 2.525 20 0 FFADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000160223336 728919275 /nfs/dbraw/zinc/91/92/75/728919275.db2.gz SMMAWVWPUIDRMO-UHFFFAOYSA-N -1 2 367.251 2.881 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000054830134 728092086 /nfs/dbraw/zinc/09/20/86/728092086.db2.gz BIXQYAACGUXOCV-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM Cc1cc([C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])ccc1Cl ZINC000275259319 729699908 /nfs/dbraw/zinc/69/99/08/729699908.db2.gz LYDFNHYNSDTDII-XVKPBYJWSA-N -1 2 359.753 2.644 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000326163403 729789482 /nfs/dbraw/zinc/78/94/82/729789482.db2.gz QDSQBNUEAZFZHE-UHFFFAOYSA-N -1 2 355.318 2.666 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccc(F)cc2OC(C)C)cc1C(=O)[O-] ZINC000484102005 729913374 /nfs/dbraw/zinc/91/33/74/729913374.db2.gz HDDIDMLGYBVEHX-UHFFFAOYSA-N -1 2 370.402 2.933 20 0 FFADLM CCc1ccccc1[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000864448495 730847359 /nfs/dbraw/zinc/84/73/59/730847359.db2.gz PVVKMMLHQCRYHE-CABZTGNLSA-N -1 2 353.362 2.635 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000650418866 730994453 /nfs/dbraw/zinc/99/44/53/730994453.db2.gz NYPFLNRMGMUZKF-UHFFFAOYSA-N -1 2 364.423 2.688 20 0 FFADLM COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753769785 736093391 /nfs/dbraw/zinc/09/33/91/736093391.db2.gz JYELVEFCQQLZFB-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000794756808 739926985 /nfs/dbraw/zinc/92/69/85/739926985.db2.gz FTDJKRZBGOVKAV-UHFFFAOYSA-N -1 2 367.354 2.501 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc(C(=O)[O-])c1Cl ZINC000759100458 736546776 /nfs/dbraw/zinc/54/67/76/736546776.db2.gz BKFOGNKBRGQZFI-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000929577022 739000605 /nfs/dbraw/zinc/00/06/05/739000605.db2.gz BWUGIASCPRVMJZ-UHFFFAOYSA-N -1 2 372.208 2.599 20 0 FFADLM Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000931321536 739244556 /nfs/dbraw/zinc/24/45/56/739244556.db2.gz TVNIJWMENNDLSR-LLVKDONJSA-N -1 2 370.236 2.553 20 0 FFADLM COc1cc(Cl)c(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000790390013 739446525 /nfs/dbraw/zinc/44/65/25/739446525.db2.gz OHMYLZPUVIQUBS-UHFFFAOYSA-N -1 2 373.818 2.625 20 0 FFADLM COc1cc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2O)cc1C(=O)[O-] ZINC000790393879 739447178 /nfs/dbraw/zinc/44/71/78/739447178.db2.gz LTMAQCIFEKJOBP-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c(OC)c1 ZINC000799928806 740465096 /nfs/dbraw/zinc/46/50/96/740465096.db2.gz VBPHXPWTHKQHNG-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000830028858 745296603 /nfs/dbraw/zinc/29/66/03/745296603.db2.gz SXAKCUICRJDZFJ-UHFFFAOYSA-N -1 2 368.386 2.735 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000832867726 745764976 /nfs/dbraw/zinc/76/49/76/745764976.db2.gz DAEDTPSWIOAEEW-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000325864975 971249850 /nfs/dbraw/zinc/24/98/50/971249850.db2.gz ZGMPURHOHOCIHN-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM CC(C)Oc1ccc(F)cc1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC001591778078 975936731 /nfs/dbraw/zinc/93/67/31/975936731.db2.gz MCHPUGDGROUVJU-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1C ZINC001595025691 979131017 /nfs/dbraw/zinc/13/10/17/979131017.db2.gz BADWLLHJJRRFHG-QMMMGPOBSA-N -1 2 372.834 2.710 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)s1 ZINC001595798294 982609676 /nfs/dbraw/zinc/60/96/76/982609676.db2.gz CFYANNKOSXTDFT-UHFFFAOYSA-N -1 2 373.431 2.827 20 0 FFADLM CSc1ccccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001599826408 988604518 /nfs/dbraw/zinc/60/45/18/988604518.db2.gz NMXXBNCESXEHIY-UHFFFAOYSA-N -1 2 358.466 2.683 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(OC)cc(OC)c1C ZINC001597785226 989301142 /nfs/dbraw/zinc/30/11/42/989301142.db2.gz DNWLPCCUMRQQOT-UHFFFAOYSA-N -1 2 369.395 2.667 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n[nH]1 ZINC001590363446 989824710 /nfs/dbraw/zinc/82/47/10/989824710.db2.gz ZSGRBAQDGJPWCR-UHFFFAOYSA-N -1 2 359.382 2.635 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[nH]n1 ZINC001590363446 989824721 /nfs/dbraw/zinc/82/47/21/989824721.db2.gz ZSGRBAQDGJPWCR-UHFFFAOYSA-N -1 2 359.382 2.635 20 0 FFADLM CN(C)c1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1F ZINC001598300976 991250922 /nfs/dbraw/zinc/25/09/22/991250922.db2.gz HRKATGWLMJYSDO-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM CC(C)OCCO[N-]C(=O)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000812806718 995543440 /nfs/dbraw/zinc/54/34/40/995543440.db2.gz MVUYMQGJSADIME-UHFFFAOYSA-N -1 2 373.331 2.683 20 0 FFADLM C[C@@H](Oc1ccccc1C[NH2+][C@@H](C)c1nc(C(=O)[O-])cs1)C(=O)[O-] ZINC001593649278 996000837 /nfs/dbraw/zinc/00/08/37/996000837.db2.gz QWDMAQWXFMBNPJ-VHSXEESVSA-N -1 2 350.396 2.544 20 0 FFADLM C[C@H]([NH2+]Cc1ccccc1O[C@@H](C)C(=O)[O-])c1nc(C(=O)[O-])cs1 ZINC001593649277 996001130 /nfs/dbraw/zinc/00/11/30/996001130.db2.gz QWDMAQWXFMBNPJ-UWVGGRQHSA-N -1 2 350.396 2.544 20 0 FFADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC001599388202 996983565 /nfs/dbraw/zinc/98/35/65/996983565.db2.gz XPRKRYKIDMABBT-UHFFFAOYSA-N -1 2 360.413 2.541 20 0 FFADLM COCc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599295369 997131634 /nfs/dbraw/zinc/13/16/34/997131634.db2.gz ZZZYAFRAKKGESC-UHFFFAOYSA-N -1 2 371.436 2.711 20 0 FFADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599418383 997550237 /nfs/dbraw/zinc/55/02/37/997550237.db2.gz GNPIMLRNEFVWLF-UHFFFAOYSA-N -1 2 370.814 2.859 20 0 FFADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C)ccc1O ZINC001599329851 997728969 /nfs/dbraw/zinc/72/89/69/997728969.db2.gz HLYOIZMCRCBBAG-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)cn2)cc1C(=O)[O-] ZINC001184660243 1002678346 /nfs/dbraw/zinc/67/83/46/1002678346.db2.gz XVMJIICYNLMEMJ-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739512 1004717623 /nfs/dbraw/zinc/71/76/23/1004717623.db2.gz VWQPPLYLTRBICZ-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM Cc1nc(Cl)cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188276803 1006498421 /nfs/dbraw/zinc/49/84/21/1006498421.db2.gz KRBLDKKTTKDVJT-UHFFFAOYSA-N -1 2 362.194 2.591 20 0 FFADLM O=c1ccn(-c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3F)cc2)[n-]1 ZINC001190405058 1007615667 /nfs/dbraw/zinc/61/56/67/1007615667.db2.gz RGLWQLWGDKTYPL-UHFFFAOYSA-N -1 2 369.324 2.796 20 0 FFADLM CCc1cc2c(C[N@@H+]3CCOC[C@H]3C[C@H]3CCOC3)cc(=O)oc2cc1O ZINC000933665621 1021063223 /nfs/dbraw/zinc/06/32/23/1021063223.db2.gz HSIOQPZMFVCIDD-RHSMWYFYSA-N -1 2 373.449 2.688 20 0 FFADLM CCON(CC1CCCCC1)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000837197779 1025649216 /nfs/dbraw/zinc/64/92/16/1025649216.db2.gz BNCBJOVOSIRYHR-UHFFFAOYSA-N -1 2 360.414 2.718 20 0 FFADLM O=C(CCC[NH+]1CCN(Cc2ncccc2O)CC1)c1ccc(F)cc1 ZINC001138396052 1034235386 /nfs/dbraw/zinc/23/53/86/1034235386.db2.gz GTUQHIWESQGBJJ-UHFFFAOYSA-N -1 2 357.429 2.707 20 0 FFADLM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001139162400 1034986944 /nfs/dbraw/zinc/98/69/44/1034986944.db2.gz QIJNIBMWPFTMQY-SSDOTTSWSA-N -1 2 357.197 2.543 20 0 FFADLM Cc1nc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c(C)c(=O)[nH]1 ZINC001229692147 1036834883 /nfs/dbraw/zinc/83/48/83/1036834883.db2.gz VPEMGGWLXHBBHR-NSHDSACASA-N -1 2 354.863 2.952 20 0 FFADLM CC(C)(C)OC(=O)N1CCC(Oc2ccc(O[P@@](=O)([O-])O)cc2)CC1 ZINC001234333855 1036991030 /nfs/dbraw/zinc/99/10/30/1036991030.db2.gz CBWXCXHTTDKHDH-UHFFFAOYSA-N -1 2 373.342 2.936 20 0 FFADLM CC(C)(C)OC(=O)N1CCC(Oc2ccc(O[P@](=O)([O-])O)cc2)CC1 ZINC001234333855 1036991043 /nfs/dbraw/zinc/99/10/43/1036991043.db2.gz CBWXCXHTTDKHDH-UHFFFAOYSA-N -1 2 373.342 2.936 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(CCO)cc2)c(F)cc1Cl ZINC001259219411 1039810542 /nfs/dbraw/zinc/81/05/42/1039810542.db2.gz ZFGWCIAYLZGKQD-UHFFFAOYSA-N -1 2 373.789 2.513 20 0 FFADLM Cc1nc(C(F)(F)F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001260221660 1040473348 /nfs/dbraw/zinc/47/33/48/1040473348.db2.gz MKTKBHZPNXQWAA-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1O ZINC001324989484 1046323912 /nfs/dbraw/zinc/32/39/12/1046323912.db2.gz TZWWCPOMSUHHJR-UHFFFAOYSA-N -1 2 363.178 2.593 20 0 FFADLM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2O)C1 ZINC001574679835 1078057788 /nfs/dbraw/zinc/05/77/88/1078057788.db2.gz KVYVQTKMJOZILJ-MRVPVSSYSA-N -1 2 360.179 2.621 20 0 FFADLM C=Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1 ZINC001588921268 1080265948 /nfs/dbraw/zinc/26/59/48/1080265948.db2.gz DXAWHCDUQMYMKO-NSHDSACASA-N -1 2 364.448 2.776 20 0 FFADLM C=Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC001588922136 1080267824 /nfs/dbraw/zinc/26/78/24/1080267824.db2.gz TYSXZFVVXXVETC-UHFFFAOYSA-N -1 2 352.437 2.994 20 0 FFADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC001589656859 1080654459 /nfs/dbraw/zinc/65/44/59/1080654459.db2.gz BFRRRDTVFWMAIA-UHFFFAOYSA-N -1 2 360.844 2.960 20 0 FFADLM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001590284161 1081140136 /nfs/dbraw/zinc/14/01/36/1081140136.db2.gz WVYGLXQJKAJSSW-VFZGTOFNSA-N -1 2 372.816 2.653 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)sc1C(=O)[O-] ZINC000042796015 506669330 /nfs/dbraw/zinc/66/93/30/506669330.db2.gz HFXRSXMQLATFOO-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM O=C(c1ccc(O)cc1)N1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000292815315 511730942 /nfs/dbraw/zinc/73/09/42/511730942.db2.gz NMHQPEXBUFUSQY-GOSISDBHSA-N -1 2 366.417 2.630 20 0 FFADLM Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC000366034003 511798523 /nfs/dbraw/zinc/79/85/23/511798523.db2.gz POQKTDDWZGABHO-UHFFFAOYSA-N -1 2 361.379 2.581 20 0 FFADLM CC(C)COc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000324163057 511833947 /nfs/dbraw/zinc/83/39/47/511833947.db2.gz DCPABPLLHZBHMC-UHFFFAOYSA-N -1 2 352.412 2.559 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000324287989 511835522 /nfs/dbraw/zinc/83/55/22/511835522.db2.gz MOWVKQBDJLBSKY-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000324404408 511836653 /nfs/dbraw/zinc/83/66/53/511836653.db2.gz UEKXGJBLQJWBIV-UHFFFAOYSA-N -1 2 372.830 2.966 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c(F)c1 ZINC000327234094 511870705 /nfs/dbraw/zinc/87/07/05/511870705.db2.gz BQFZDTLLMTYOPY-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1 ZINC000327292074 511871900 /nfs/dbraw/zinc/87/19/00/511871900.db2.gz KFYVRNUOPOHYGW-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 ZINC000285079471 511991727 /nfs/dbraw/zinc/99/17/27/511991727.db2.gz MHIYIXGFHPRPHW-UHFFFAOYSA-N -1 2 369.830 2.680 20 0 FFADLM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000372286536 512796394 /nfs/dbraw/zinc/79/63/94/512796394.db2.gz BTXLUYIDYSFSSB-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000451067578 513495834 /nfs/dbraw/zinc/49/58/34/513495834.db2.gz GLEYIFNRWYKIOW-UHFFFAOYSA-N -1 2 364.423 2.605 20 0 FFADLM CC(=O)c1ccc(O)c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000436675174 513938344 /nfs/dbraw/zinc/93/83/44/513938344.db2.gz UZRRBJTWSIURFF-UHFFFAOYSA-N -1 2 352.412 2.822 20 0 FFADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436724101 513958660 /nfs/dbraw/zinc/95/86/60/513958660.db2.gz PCLNNPIBULSVRF-UHFFFAOYSA-N -1 2 365.407 2.907 20 0 FFADLM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)c(F)c2O)CCCCC1 ZINC000414383846 514081055 /nfs/dbraw/zinc/08/10/55/514081055.db2.gz OHBDJPXGDLPEJV-UHFFFAOYSA-N -1 2 363.382 2.536 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1OC(C)C ZINC000433505946 514505742 /nfs/dbraw/zinc/50/57/42/514505742.db2.gz CYILYGXAMYHXHL-UHFFFAOYSA-N -1 2 365.407 2.987 20 0 FFADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1c(F)cccc1Cl)OCO2 ZINC000484559590 514690912 /nfs/dbraw/zinc/69/09/12/514690912.db2.gz UZFQNROXNHDXKJ-UHFFFAOYSA-N -1 2 373.745 2.707 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1F ZINC000489347685 514808140 /nfs/dbraw/zinc/80/81/40/514808140.db2.gz ZWIZSUZWEJJDJO-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C)cc(F)c2)c1OC ZINC000484980083 514863245 /nfs/dbraw/zinc/86/32/45/514863245.db2.gz WZMLPHKXVZGVJT-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C ZINC000480225056 514888818 /nfs/dbraw/zinc/88/88/18/514888818.db2.gz LWCYIUOZYXHCIH-LBPRGKRZSA-N -1 2 365.455 2.981 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C ZINC000480240646 514891967 /nfs/dbraw/zinc/89/19/67/514891967.db2.gz LLZSTUYPMGGAEI-JTQLQIEISA-N -1 2 367.427 2.670 20 0 FFADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485397429 515022182 /nfs/dbraw/zinc/02/21/82/515022182.db2.gz VYMDGMHHHNSISY-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481483847 515343069 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O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cc(F)cc2n[nH]nc21 ZINC000554581917 516523125 /nfs/dbraw/zinc/52/31/25/516523125.db2.gz SZLQYVDEBKCBMU-UHFFFAOYSA-N -1 2 373.819 2.539 20 0 FFADLM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000544094464 516577265 /nfs/dbraw/zinc/57/72/65/516577265.db2.gz URHUINAYNCSOMS-VIFPVBQESA-N -1 2 355.441 2.723 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cn1 ZINC000544098170 516578913 /nfs/dbraw/zinc/57/89/13/516578913.db2.gz HEYCNGUCBUORGR-GFCCVEGCSA-N -1 2 351.428 2.843 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1-c1ccccc1 ZINC000537837868 517369815 /nfs/dbraw/zinc/36/98/15/517369815.db2.gz ZDTORULHIYMAOT-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000560006911 517530639 /nfs/dbraw/zinc/53/06/39/517530639.db2.gz DVUKFFFNEKBDLQ-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C1CC1 ZINC000534237456 517797746 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VRKHEWLFKQIAQF-UHFFFAOYSA-N -1 2 362.379 2.629 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000830084376 601835873 /nfs/dbraw/zinc/83/58/73/601835873.db2.gz AXBSHMGFJJHPLZ-UHFFFAOYSA-N -1 2 362.816 2.694 20 0 FFADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000759706469 602196663 /nfs/dbraw/zinc/19/66/63/602196663.db2.gz OLBRBLGPYRBLMZ-UHFFFAOYSA-N -1 2 365.798 2.726 20 0 FFADLM CCc1nc(NS(=O)(=O)/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833675790 604991749 /nfs/dbraw/zinc/99/17/49/604991749.db2.gz SOIWCLKUDUTFAO-FPLPWBNLSA-N -1 2 356.400 2.955 20 0 FFADLM CC(C)Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])[nH]n1 ZINC000833491461 605181505 /nfs/dbraw/zinc/18/15/05/605181505.db2.gz XGUFNUKAUHJSHY-UHFFFAOYSA-N -1 2 374.422 2.655 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000126806644 728704715 /nfs/dbraw/zinc/70/47/15/728704715.db2.gz WZMOJLKOWARBET-UHFFFAOYSA-N -1 2 354.359 2.807 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 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2.585 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000391129520 972318998 /nfs/dbraw/zinc/31/89/98/972318998.db2.gz FSEKMXKBPLJIQK-UHFFFAOYSA-N -1 2 360.731 2.649 20 0 FFADLM COC(=O)c1sccc1S(=O)(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396506461 972908108 /nfs/dbraw/zinc/90/81/08/972908108.db2.gz QCNPVEWQEXMAHA-VIFPVBQESA-N -1 2 369.420 2.524 20 0 FFADLM CCSCc1ccnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC001597268390 987309813 /nfs/dbraw/zinc/30/98/13/987309813.db2.gz XUZOVMPFPSDQGY-UHFFFAOYSA-N -1 2 370.427 2.973 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC001597791785 989324966 /nfs/dbraw/zinc/32/49/66/989324966.db2.gz SXMGPUADMLTYDG-UHFFFAOYSA-N -1 2 369.399 2.772 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])cc1OC ZINC001599617786 994039268 /nfs/dbraw/zinc/03/92/68/994039268.db2.gz DDAUBGLHWNMRCO-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM CC1(C)CCc2sc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC001593924605 996852536 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O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2C(=O)CC3)c(F)cc1F ZINC001195236062 1004913481 /nfs/dbraw/zinc/91/34/81/1004913481.db2.gz GQDUXYIABAQWCR-UHFFFAOYSA-N -1 2 367.329 2.593 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(O)cc(Cl)c2)c(F)cc1F ZINC001195235753 1004913600 /nfs/dbraw/zinc/91/36/00/1004913600.db2.gz ABHFNGIAIFNWDG-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnccc2C2CC2)c(F)cc1F ZINC001195202228 1004915598 /nfs/dbraw/zinc/91/55/98/1004915598.db2.gz UFTUNBPTCJFFPL-UHFFFAOYSA-N -1 2 354.334 2.736 20 0 FFADLM CC(C)S(=O)(=O)c1ccccc1NC(=O)c1ncc(C(F)(F)F)[nH]1 ZINC001188286838 1006504506 /nfs/dbraw/zinc/50/45/06/1006504506.db2.gz AFXWCSPXFSFJNG-UHFFFAOYSA-N -1 2 361.345 2.863 20 0 FFADLM Cc1nc2cc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)ccc2s1 ZINC000781223148 1029079807 /nfs/dbraw/zinc/07/98/07/1029079807.db2.gz RTAZTSJCQCVPBQ-UHFFFAOYSA-N -1 2 367.390 2.915 20 0 FFADLM CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cc(O)c(F)c(F)c1)C2 ZINC001232970219 1036198066 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FFADLM CN1C(=O)CCc2cc(-c3ccc([P@](=O)([O-])O)cc3)cc(Cl)c21 ZINC001240919172 1044464106 /nfs/dbraw/zinc/46/41/06/1044464106.db2.gz XUIMMBRQHKKKCI-UHFFFAOYSA-N -1 2 351.726 2.719 20 0 FFADLM CCN(CC)C(=O)c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(OC)c1 ZINC001243499128 1044939141 /nfs/dbraw/zinc/93/91/41/1044939141.db2.gz LWXBMMFVBIGLDG-UHFFFAOYSA-N -1 2 363.350 2.647 20 0 FFADLM CCN(CC)C(=O)c1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(OC)c1 ZINC001243499128 1044939152 /nfs/dbraw/zinc/93/91/52/1044939152.db2.gz LWXBMMFVBIGLDG-UHFFFAOYSA-N -1 2 363.350 2.647 20 0 FFADLM COc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC001320140299 1045355641 /nfs/dbraw/zinc/35/56/41/1045355641.db2.gz OTUOBLGRTCSLQP-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CC(=Cc1cc(C(=O)[O-])c(C)cc1C)c1nc(C)c(-c2nn[nH]n2)c(=O)[nH]1 ZINC001588768543 1080186330 /nfs/dbraw/zinc/18/63/30/1080186330.db2.gz OTFJMPRSEUMBMW-POHAHGRESA-N -1 2 366.381 2.546 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1C ZINC000270388647 251534195 /nfs/dbraw/zinc/53/41/95/251534195.db2.gz BFGQIGNONMBEKR-UHFFFAOYSA-N -1 2 371.846 2.981 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000272457762 252042057 /nfs/dbraw/zinc/04/20/57/252042057.db2.gz XOSSYLDJXXNUQK-UHFFFAOYSA-N -1 2 359.354 2.772 20 0 FFADLM CC(C)c1nc(NCCNS(=O)(=O)c2ccc(Cl)s2)cc[nH+]1 ZINC000128754897 508638554 /nfs/dbraw/zinc/63/85/54/508638554.db2.gz HFSWQFMQNYPJDY-UHFFFAOYSA-N -1 2 360.892 2.705 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)s1 ZINC000179434338 509442501 /nfs/dbraw/zinc/44/25/01/509442501.db2.gz NKXXWGZGSFSVPH-UHFFFAOYSA-N -1 2 354.453 2.968 20 0 FFADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000267874249 509653005 /nfs/dbraw/zinc/65/30/05/509653005.db2.gz NCWPDWKTAUBITK-UHFFFAOYSA-N -1 2 367.427 2.752 20 0 FFADLM CCn1nc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1C1CC1 ZINC000268670313 510063137 /nfs/dbraw/zinc/06/31/37/510063137.db2.gz ZQXWJRWWQDALIO-UHFFFAOYSA-N -1 2 367.402 2.727 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000269106535 510239243 /nfs/dbraw/zinc/23/92/43/510239243.db2.gz VXIYTIBZUSMOLZ-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1C1CCCC1 ZINC000194229910 510271041 /nfs/dbraw/zinc/27/10/41/510271041.db2.gz JGQWMIDOONGKHD-UHFFFAOYSA-N -1 2 363.439 2.735 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187718042 510400466 /nfs/dbraw/zinc/40/04/66/510400466.db2.gz NPNZZAKSYZPBSC-LLVKDONJSA-N -1 2 363.439 2.916 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1C1CCCCC1 ZINC000290431314 511140161 /nfs/dbraw/zinc/14/01/61/511140161.db2.gz AVIWVWUMZVRYSK-UHFFFAOYSA-N -1 2 366.443 2.534 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000392032910 512920035 /nfs/dbraw/zinc/92/00/35/512920035.db2.gz AIKXJQAKVLPZCH-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000392856588 512929324 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O=C(c1cc(F)cc2nn[nH]c21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000502827716 514795659 /nfs/dbraw/zinc/79/56/59/514795659.db2.gz NNQVPUIXFJRFHP-UHFFFAOYSA-N -1 2 356.405 2.626 20 0 FFADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnn1C(CC)CC ZINC000480224645 514886094 /nfs/dbraw/zinc/88/60/94/514886094.db2.gz JJYFTDXGMDZUAF-UHFFFAOYSA-N -1 2 368.459 2.644 20 0 FFADLM CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000498499977 514933105 /nfs/dbraw/zinc/93/31/05/514933105.db2.gz QTPSTIXYBRGODB-UHFFFAOYSA-N -1 2 356.375 2.830 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471983284 515075767 /nfs/dbraw/zinc/07/57/67/515075767.db2.gz ARBUXAWCZAZYSJ-UHFFFAOYSA-N -1 2 364.354 2.815 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc2[nH]ncc21 ZINC000499273845 515265475 /nfs/dbraw/zinc/26/54/75/515265475.db2.gz PJUFHGKAZNUBIH-UHFFFAOYSA-N -1 2 359.407 2.987 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C)OCO3)sc1C(=O)[O-] ZINC000510095885 515432928 /nfs/dbraw/zinc/43/29/28/515432928.db2.gz UEUSJHRXCDPJFS-UHFFFAOYSA-N -1 2 355.393 2.593 20 0 FFADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491588075 515456823 /nfs/dbraw/zinc/45/68/23/515456823.db2.gz DYODIUDOPTVXBD-UHFFFAOYSA-N -1 2 365.455 2.991 20 0 FFADLM CC1(C)Cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2O1 ZINC000468959753 515601459 /nfs/dbraw/zinc/60/14/59/515601459.db2.gz MJLDJAJEGJHKFM-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000474392746 516027585 /nfs/dbraw/zinc/02/75/85/516027585.db2.gz OBELSCPJJSMAOE-UHFFFAOYSA-N -1 2 361.322 2.731 20 0 FFADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000474418907 516037956 /nfs/dbraw/zinc/03/79/56/516037956.db2.gz XCBYMCOAVHFRGX-UHFFFAOYSA-N -1 2 360.395 2.580 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000479187826 516096993 /nfs/dbraw/zinc/09/69/93/516096993.db2.gz KNUJAIMNAQQGBV-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000531384344 516441201 /nfs/dbraw/zinc/44/12/01/516441201.db2.gz VZDHEXXVNAQQKM-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)o1 ZINC000544639396 516850603 /nfs/dbraw/zinc/85/06/03/516850603.db2.gz FADMPNNBQQVFIE-UHFFFAOYSA-N -1 2 373.770 2.527 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000541303729 516976206 /nfs/dbraw/zinc/97/62/06/516976206.db2.gz GNTLDBFXMRIVCY-SNVBAGLBSA-N -1 2 367.402 2.801 20 0 FFADLM CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000552186384 517128789 /nfs/dbraw/zinc/12/87/89/517128789.db2.gz RTRWGBNVPSHXGN-QGZVFWFLSA-N -1 2 367.421 2.673 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)c(F)c1 ZINC000537394513 517169415 /nfs/dbraw/zinc/16/94/15/517169415.db2.gz MWLRFHDFOMYSHL-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C(=O)[O-] ZINC000539843435 518171034 /nfs/dbraw/zinc/17/10/34/518171034.db2.gz SLCOTSGCLMBUJY-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000576680265 518708495 /nfs/dbraw/zinc/70/84/95/518708495.db2.gz DATVSKUMEOZWPW-UHFFFAOYSA-N -1 2 351.428 2.659 20 0 FFADLM CCC[C@H]1C[NH2+]CCN1C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000576942019 518838589 /nfs/dbraw/zinc/83/85/89/518838589.db2.gz RLYLZWJKTZFPIB-KRWDZBQOSA-N -1 2 356.470 2.915 20 0 FFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000582760318 518907189 /nfs/dbraw/zinc/90/71/89/518907189.db2.gz CZJISOOQPHBRGI-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM COc1cccc(S(=O)(=O)Nc2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000589435380 519002778 /nfs/dbraw/zinc/00/27/78/519002778.db2.gz VFPWGAWFSREOOL-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)s[nH]1 ZINC000575312417 519582803 /nfs/dbraw/zinc/58/28/03/519582803.db2.gz QSICMCBYWWUJCX-PSASIEDQSA-N -1 2 366.468 2.571 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000740178013 599886339 /nfs/dbraw/zinc/88/63/39/599886339.db2.gz ZRBPOIFHJJYDCX-UHFFFAOYSA-N -1 2 367.770 2.618 20 0 FFADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000738280797 600054947 /nfs/dbraw/zinc/05/49/47/600054947.db2.gz LFTQQSYCRFOJQC-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000320577802 600103104 /nfs/dbraw/zinc/10/31/04/600103104.db2.gz AAABKGXIMUBFJT-UHFFFAOYSA-N -1 2 352.437 2.847 20 0 FFADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736493721 600233326 /nfs/dbraw/zinc/23/33/26/600233326.db2.gz BOHFSHVPLLMZGX-UHFFFAOYSA-N -1 2 372.349 2.646 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c(Br)c1 ZINC000096703752 600514180 /nfs/dbraw/zinc/51/41/80/600514180.db2.gz UHDCQCXJSOOMMW-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cc1ccc(C)c2sc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nc21 ZINC000832925655 600827793 /nfs/dbraw/zinc/82/77/93/600827793.db2.gz RNPFTGCJBPHLSS-UHFFFAOYSA-N -1 2 365.436 2.751 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000832868536 600988174 /nfs/dbraw/zinc/98/81/74/600988174.db2.gz OEDKCZXOPUWGJP-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c1C ZINC000392334292 601361116 /nfs/dbraw/zinc/36/11/16/601361116.db2.gz USGJLWIIRGLCIO-UHFFFAOYSA-N -1 2 351.428 2.823 20 0 FFADLM CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000826528119 601502912 /nfs/dbraw/zinc/50/29/12/601502912.db2.gz JPKOYINVXIZCGT-TWGQIWQCSA-N -1 2 367.452 2.734 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)ccc1C(=O)[O-] ZINC000832904564 601503780 /nfs/dbraw/zinc/50/37/80/601503780.db2.gz SWCZDCUKQMPCNJ-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000833345612 601831453 /nfs/dbraw/zinc/83/14/53/601831453.db2.gz FEHXXDPBRCHEQP-UHFFFAOYSA-N -1 2 367.452 2.632 20 0 FFADLM O=C([O-])N1CCc2nc(NS(=O)(=O)c3ccccc3Cl)sc2C1 ZINC000740530705 601977451 /nfs/dbraw/zinc/97/74/51/601977451.db2.gz XFXKDAIEJTWBTF-UHFFFAOYSA-N -1 2 373.843 2.633 20 0 FFADLM CC(=O)c1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833402005 604757839 /nfs/dbraw/zinc/75/78/39/604757839.db2.gz YALHLBRDBXWQDN-UHFFFAOYSA-N -1 2 366.420 2.722 20 0 FFADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000833741971 605127408 /nfs/dbraw/zinc/12/74/08/605127408.db2.gz YBJJGMOEEQZZEH-UHFFFAOYSA-N -1 2 365.388 2.662 20 0 FFADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000187034764 729371715 /nfs/dbraw/zinc/37/17/15/729371715.db2.gz XOGNPYLOQLDXJF-UHFFFAOYSA-N -1 2 359.407 2.689 20 0 FFADLM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000325827464 729759522 /nfs/dbraw/zinc/75/95/22/729759522.db2.gz OOZSNAOSJHRTAY-UHFFFAOYSA-N -1 2 357.334 2.610 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1C(C)=O ZINC000783878111 738845798 /nfs/dbraw/zinc/84/57/98/738845798.db2.gz ZMYGEURVOGJCBO-UHFFFAOYSA-N -1 2 367.354 2.536 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1C(=O)[O-] ZINC000735027238 734925857 /nfs/dbraw/zinc/92/58/57/734925857.db2.gz HBWUBOQCDXOEFF-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000917864522 737780379 /nfs/dbraw/zinc/78/03/79/737780379.db2.gz UKTBEUROQRUDHW-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccc1Cl ZINC000315270568 845794961 /nfs/dbraw/zinc/79/49/61/845794961.db2.gz DRFQHMXFLMNYFN-UHFFFAOYSA-N -1 2 358.828 2.784 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000392031714 845850009 /nfs/dbraw/zinc/85/00/09/845850009.db2.gz HUPYGPQJUVIRIW-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM CCC(CC)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC001595122168 979502471 /nfs/dbraw/zinc/50/24/71/979502471.db2.gz SNYZOMXGUFRUPQ-UHFFFAOYSA-N -1 2 359.429 2.842 20 0 FFADLM CCCc1cccc(C(C)C)c1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001596069167 983383400 /nfs/dbraw/zinc/38/34/00/983383400.db2.gz ROLFQJCDCBICLF-UHFFFAOYSA-N -1 2 365.455 2.844 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C1CC1 ZINC001596120064 983453365 /nfs/dbraw/zinc/45/33/65/983453365.db2.gz CGAUCBSZXJJOED-UHFFFAOYSA-N -1 2 367.402 2.809 20 0 FFADLM C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001599936384 985401556 /nfs/dbraw/zinc/40/15/56/985401556.db2.gz ZSVFWLCPTDGHRI-ZANVPECISA-N -1 2 362.323 2.555 20 0 FFADLM OC[C@]1(F)C[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@H]1c1ccccc1 ZINC000878664655 1015156801 /nfs/dbraw/zinc/15/68/01/1015156801.db2.gz APHOKFRAEOMPMF-OXJNMPFZSA-N -1 2 369.396 2.742 20 0 FFADLM CCc1nc(NS(=O)(=O)Cc2cccc(Cl)c2)sc1C(=O)[O-] ZINC001597685158 988828494 /nfs/dbraw/zinc/82/84/94/988828494.db2.gz CWJDNUIJSFTXEH-UHFFFAOYSA-N -1 2 360.844 2.999 20 0 FFADLM COCc1ccnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC001599296221 997147984 /nfs/dbraw/zinc/14/79/84/997147984.db2.gz GKHNSJJCYAWNJJ-UHFFFAOYSA-N -1 2 370.814 2.689 20 0 FFADLM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001599377673 998514825 /nfs/dbraw/zinc/51/48/25/998514825.db2.gz JHNFHHNETBEAKN-UHFFFAOYSA-N -1 2 364.354 2.815 20 0 FFADLM C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC001594451029 999649535 /nfs/dbraw/zinc/64/95/35/999649535.db2.gz SJDOUZWSSRDTRU-SNVBAGLBSA-N -1 2 366.464 2.696 20 0 FFADLM Cc1ncc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196068691 1003659949 /nfs/dbraw/zinc/65/99/49/1003659949.db2.gz YPVMLYREWFHHTL-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM Cc1ccc(Br)nc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746693 1004721193 /nfs/dbraw/zinc/72/11/93/1004721193.db2.gz ISUHLZUYBYKXEK-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2ccccc2C[NH+]2CCCCC2)cn1 ZINC001195716619 1005028576 /nfs/dbraw/zinc/02/85/76/1005028576.db2.gz GTXUDPPCQMAJPP-UHFFFAOYSA-N -1 2 361.467 2.877 20 0 FFADLM COc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC001187545025 1006135634 /nfs/dbraw/zinc/13/56/34/1006135634.db2.gz ABLPMAKLEFZCKQ-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2C(=O)CC3)c1 ZINC001187583207 1006141859 /nfs/dbraw/zinc/14/18/59/1006141859.db2.gz SUHVXQCCWXNVIO-UHFFFAOYSA-N -1 2 365.794 2.968 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2CC2CCC2)ccc1Cl ZINC001188282788 1006503573 /nfs/dbraw/zinc/50/35/73/1006503573.db2.gz WIWDKASADHZYNE-UHFFFAOYSA-N -1 2 369.830 2.836 20 0 FFADLM Cc1cc(-c2ncco2)ccc1NC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 ZINC001141410701 1026211414 /nfs/dbraw/zinc/21/14/14/1026211414.db2.gz GGSXNLRNGRZQMK-UHFFFAOYSA-N -1 2 363.333 2.652 20 0 FFADLM Cc1cc(-c2ncco2)ccc1NC(=O)c1cnc2nc(=O)[nH]c([O-])c2c1 ZINC001141410701 1026211428 /nfs/dbraw/zinc/21/14/28/1026211428.db2.gz GGSXNLRNGRZQMK-UHFFFAOYSA-N -1 2 363.333 2.652 20 0 FFADLM Oc1cc(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cc(F)c1F ZINC001232970397 1036196566 /nfs/dbraw/zinc/19/65/66/1036196566.db2.gz QSYIYQHEQQEHSX-LIRRHRJNSA-N -1 2 362.376 2.878 20 0 FFADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234337492 1036989600 /nfs/dbraw/zinc/98/96/00/1036989600.db2.gz IGFFBXRLJMQFFN-LLVKDONJSA-N -1 2 373.342 2.792 20 0 FFADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234337492 1036989611 /nfs/dbraw/zinc/98/96/11/1036989611.db2.gz IGFFBXRLJMQFFN-LLVKDONJSA-N -1 2 373.342 2.792 20 0 FFADLM Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(O)c2Cl)n(C)n1 ZINC001278910650 1038382952 /nfs/dbraw/zinc/38/29/52/1038382952.db2.gz MJVKYZXDIQUIST-IYBDPMFKSA-N -1 2 360.889 2.936 20 0 FFADLM O=S(=O)(NC1CC[NH+](CCF)CC1)c1c(Cl)cccc1Cl ZINC001257780446 1038972508 /nfs/dbraw/zinc/97/25/08/1038972508.db2.gz QRCIUWALHZHEMN-UHFFFAOYSA-N -1 2 355.262 2.706 20 0 FFADLM CCC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC001260215941 1040466464 /nfs/dbraw/zinc/46/64/64/1040466464.db2.gz IWKHWWCJZRMMGU-UHFFFAOYSA-N -1 2 351.355 2.917 20 0 FFADLM O=C([O-])c1cccc(-c2ccc(S(=O)(=O)Nc3nccs3)cn2)c1 ZINC001241358245 1044505300 /nfs/dbraw/zinc/50/53/00/1044505300.db2.gz JZCSLKYNTARNEI-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM O=S(=O)([N-]c1nccs1)c1ccc(-c2cc(F)cc(F)c2O)nc1 ZINC001243501614 1044939006 /nfs/dbraw/zinc/93/90/06/1044939006.db2.gz LKFGFLOASCNDAL-UHFFFAOYSA-N -1 2 369.374 2.990 20 0 FFADLM CC(=O)Nc1cc(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])ccc1C ZINC001589182821 1080400861 /nfs/dbraw/zinc/40/08/61/1080400861.db2.gz ZUJZYCSAQPJFHU-UHFFFAOYSA-N -1 2 368.436 2.822 20 0 FFADLM C[C@@H](C(=O)[O-])c1cccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC001589539578 1080592648 /nfs/dbraw/zinc/59/26/48/1080592648.db2.gz JECQFLIWUSJOCJ-LLVKDONJSA-N -1 2 365.455 2.707 20 0 FFADLM CC(C)(C)c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000420436964 514147497 /nfs/dbraw/zinc/14/74/97/514147497.db2.gz BRUQROHZKPRRFY-SNVBAGLBSA-N -1 2 352.472 2.569 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)sc1C(=O)[O-] ZINC000042791763 506666731 /nfs/dbraw/zinc/66/67/31/506666731.db2.gz WHEQQEQXXWUSBC-UHFFFAOYSA-N -1 2 363.420 2.741 20 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CCOc1ncc(C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000451075062 513499663 /nfs/dbraw/zinc/49/96/63/513499663.db2.gz ZMODYFFMORUGLN-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM COc1cccc(C)c1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000435732012 513671229 /nfs/dbraw/zinc/67/12/29/513671229.db2.gz NVHUGIREBIVSQO-UHFFFAOYSA-N -1 2 353.371 2.950 20 0 FFADLM COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438793893 514443832 /nfs/dbraw/zinc/44/38/32/514443832.db2.gz TUPAWCXSGMIELV-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CSCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433510594 514506753 /nfs/dbraw/zinc/50/67/53/514506753.db2.gz ODMYNRLIPWURLM-UHFFFAOYSA-N -1 2 353.421 2.754 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(O)c1 ZINC000484492534 514666841 /nfs/dbraw/zinc/66/68/41/514666841.db2.gz AKJDJZQYZDQQBB-UHFFFAOYSA-N -1 2 350.377 2.501 20 0 FFADLM COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1C ZINC000476435378 515049449 /nfs/dbraw/zinc/04/94/49/515049449.db2.gz 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ZINC000540495705 516586955 /nfs/dbraw/zinc/58/69/55/516586955.db2.gz FMKYYNVZMCQJOX-VIFPVBQESA-N -1 2 355.391 2.801 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2ccc(Br)cn2)c(C(=O)[O-])c1 ZINC000547866028 516607816 /nfs/dbraw/zinc/60/78/16/516607816.db2.gz MTAAIZDGNFPYLZ-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)c(Cl)c1 ZINC000536109629 516636895 /nfs/dbraw/zinc/63/68/95/516636895.db2.gz ZZJYPZLUYHVPTL-UHFFFAOYSA-N -1 2 369.782 2.610 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000531781590 516637554 /nfs/dbraw/zinc/63/75/54/516637554.db2.gz PUNBFXMIILNFJD-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(O)cc(Br)c1 ZINC000528895541 516779148 /nfs/dbraw/zinc/77/91/48/516779148.db2.gz YVXIVEQIUAZLRR-ZDUSSCGKSA-N -1 2 362.227 2.558 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Br)cn1 ZINC000548210943 516827654 /nfs/dbraw/zinc/82/76/54/516827654.db2.gz AVLUQMOGWZENPV-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000546073779 517528999 /nfs/dbraw/zinc/52/89/99/517528999.db2.gz ZYXAOJSELBVTFO-UHFFFAOYSA-N -1 2 353.421 2.754 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1-c1ccccc1 ZINC000584861242 518511915 /nfs/dbraw/zinc/51/19/15/518511915.db2.gz CLPBBNPNPHYTER-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM CC(C)(C)CS(=O)(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000579117864 518530972 /nfs/dbraw/zinc/53/09/72/518530972.db2.gz WNLBAUNPJMRWHF-NSHDSACASA-N -1 2 353.362 2.954 20 0 FFADLM CC(C)CCc1cc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000579503361 518712477 /nfs/dbraw/zinc/71/24/77/518712477.db2.gz OJOVFIVKTNHVAB-UHFFFAOYSA-N -1 2 350.488 2.861 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000577734481 519230165 /nfs/dbraw/zinc/23/01/65/519230165.db2.gz SGQHEZSTPKPZMH-GFCCVEGCSA-N -1 2 363.439 2.590 20 0 FFADLM O=C([O-])c1c[nH]c(=O)c2cc(NS(=O)(=O)c3cccs3)ccc12 ZINC000572450306 519614410 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20 0 FFADLM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738418504 599885956 /nfs/dbraw/zinc/88/59/56/599885956.db2.gz HNRICRYSLLTMCO-UHFFFAOYSA-N -1 2 351.428 2.508 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)s1 ZINC000740304867 599927051 /nfs/dbraw/zinc/92/70/51/599927051.db2.gz YTCCXOOFZGVSKE-UHFFFAOYSA-N -1 2 366.420 2.522 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000738463659 600052166 /nfs/dbraw/zinc/05/21/66/600052166.db2.gz OLLDNUCFEHKJOS-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccnn1C1CCCC1 ZINC000740143618 600054890 /nfs/dbraw/zinc/05/48/90/600054890.db2.gz HZODZIGLHOGHED-UHFFFAOYSA-N -1 2 353.375 2.636 20 0 FFADLM COc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738015320 600092559 /nfs/dbraw/zinc/09/25/59/600092559.db2.gz HETBRLUJALWRIO-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])COc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000739843077 600100803 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CCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000829574193 601503519 /nfs/dbraw/zinc/50/35/19/601503519.db2.gz SNEIVHDKYSJZKZ-UHFFFAOYSA-N -1 2 361.832 2.643 20 0 FFADLM CSc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000832790599 601577412 /nfs/dbraw/zinc/57/74/12/601577412.db2.gz NNQIPTCPZDQBQN-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM Cc1nc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2s1 ZINC000833006673 601831463 /nfs/dbraw/zinc/83/14/63/601831463.db2.gz RTUHOTJUZIXGQW-UHFFFAOYSA-N -1 2 355.422 2.560 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000829373352 601847858 /nfs/dbraw/zinc/84/78/58/601847858.db2.gz SQWSBENWPZASBQ-UHFFFAOYSA-N -1 2 373.431 2.909 20 0 FFADLM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1OC ZINC000831967440 602116000 /nfs/dbraw/zinc/11/60/00/602116000.db2.gz XIFIPDGFNCHPJY-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM O=C([O-])c1nscc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000833347340 602158560 /nfs/dbraw/zinc/15/85/60/602158560.db2.gz ZAUMBEVJIPVUAW-UHFFFAOYSA-N -1 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O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)c(F)c1 ZINC000327434523 971399002 /nfs/dbraw/zinc/39/90/02/971399002.db2.gz NQMNFCJVRMEGOX-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM C[NH+]1CCN(c2ccc(-c3noc(-c4cc(Cl)ccc4O)n3)nc2)CC1 ZINC000664942459 966030747 /nfs/dbraw/zinc/03/07/47/966030747.db2.gz LXSCNXDBSJVRBL-UHFFFAOYSA-N -1 2 371.828 2.909 20 0 FFADLM COc1ccc(COCC[N@@H+]2CCC[C@H]2c2ncc(OC)c(=O)[nH]2)cc1 ZINC000934272987 966180606 /nfs/dbraw/zinc/18/06/06/966180606.db2.gz BRFZFXKJHHDISO-INIZCTEOSA-N -1 2 359.426 2.553 20 0 FFADLM CCCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000393077447 972560760 /nfs/dbraw/zinc/56/07/60/972560760.db2.gz JBDVUSKNMNBJAI-UHFFFAOYSA-N -1 2 365.407 2.983 20 0 FFADLM CCSCc1cccnc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597267209 987301160 /nfs/dbraw/zinc/30/11/60/987301160.db2.gz HIMFLYXDYVATAK-UHFFFAOYSA-N -1 2 352.437 2.834 20 0 FFADLM CCSCc1ccnc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001597267565 987304612 /nfs/dbraw/zinc/30/46/12/987304612.db2.gz 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FFADLM O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc(O)cn1 ZINC001464852841 1062869387 /nfs/dbraw/zinc/86/93/87/1062869387.db2.gz MJKFPDNCEXJDJM-UHFFFAOYSA-N -1 2 351.410 2.902 20 0 FFADLM O=C([O-])c1cc(NC(=O)c2cc(Br)c(F)cc2O)ccn1 ZINC001574790423 1078082366 /nfs/dbraw/zinc/08/23/66/1078082366.db2.gz SPCUMMCJGABRHZ-UHFFFAOYSA-N -1 2 355.119 2.639 20 0 FFADLM Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000299504307 258000713 /nfs/dbraw/zinc/00/07/13/258000713.db2.gz LMGLUSGASZVRDT-UHFFFAOYSA-N -1 2 350.396 2.669 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000042793798 506669079 /nfs/dbraw/zinc/66/90/79/506669079.db2.gz COTMPOKZMABGEU-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000068175813 507137750 /nfs/dbraw/zinc/13/77/50/507137750.db2.gz BDYIKWBUIPFXIB-UHFFFAOYSA-N -1 2 368.436 2.538 20 0 FFADLM C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188788092 509263746 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COc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000433503667 514506087 /nfs/dbraw/zinc/50/60/87/514506087.db2.gz WKXICKYRMGKECH-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000471121860 514761643 /nfs/dbraw/zinc/76/16/43/514761643.db2.gz UPOFJQRLWNKRLC-UHFFFAOYSA-N -1 2 371.361 2.791 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000489291697 514786162 /nfs/dbraw/zinc/78/61/62/514786162.db2.gz RZQNHRGBRIFURC-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000489384314 514824346 /nfs/dbraw/zinc/82/43/46/514824346.db2.gz IYOZQXCXGJMKHN-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)sc1C(=O)[O-] ZINC000475837382 514830837 /nfs/dbraw/zinc/83/08/37/514830837.db2.gz VJGIMNPHAGKRDX-UHFFFAOYSA-N -1 2 355.441 2.544 20 0 FFADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000485024743 514879847 /nfs/dbraw/zinc/87/98/47/514879847.db2.gz 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COC(=O)c1csc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000547550825 516403943 /nfs/dbraw/zinc/40/39/43/516403943.db2.gz QLHIOJLOPIQDFC-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000536491402 516787764 /nfs/dbraw/zinc/78/77/64/516787764.db2.gz KMPXZOMUXFOHJJ-UHFFFAOYSA-N -1 2 354.409 2.528 20 0 FFADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000548193749 516818875 /nfs/dbraw/zinc/81/88/75/516818875.db2.gz YWGIOTKDYLLMIU-UHFFFAOYSA-N -1 2 369.782 2.610 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000548194067 516819323 /nfs/dbraw/zinc/81/93/23/516819323.db2.gz SHXWZWABRVLGCN-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM CC(C)(C)c1nc(=NC(=O)c2cccc(Br)c2[O-])s[nH]1 ZINC000519332966 516963874 /nfs/dbraw/zinc/96/38/74/516963874.db2.gz QQMYUGAYPBXRSA-UHFFFAOYSA-N -1 2 356.245 2.978 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000541802819 517222949 /nfs/dbraw/zinc/22/29/49/517222949.db2.gz 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20 0 FFADLM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000121470342 509175642 /nfs/dbraw/zinc/17/56/42/509175642.db2.gz AAKKEOUKFQIACS-UHFFFAOYSA-N -1 2 374.404 2.577 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)cc1 ZINC000165498103 509573106 /nfs/dbraw/zinc/57/31/06/509573106.db2.gz OZGVUXFOZCKTBD-CQSZACIVSA-N -1 2 357.410 2.638 20 0 FFADLM Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)ccc1NS(C)(=O)=O ZINC000173984089 509889057 /nfs/dbraw/zinc/88/90/57/509889057.db2.gz BJODNWNBENPHNI-UHFFFAOYSA-N -1 2 372.450 2.663 20 0 FFADLM O=C(NCc1ccc(O)c(Br)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000374460312 512842641 /nfs/dbraw/zinc/84/26/41/512842641.db2.gz FWWPZPYOLBLVNK-LBPRGKRZSA-N -1 2 365.231 2.755 20 0 FFADLM Cc1ncc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000391140964 512914321 /nfs/dbraw/zinc/91/43/21/512914321.db2.gz KOMDYLWABRWVMI-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000372790031 513044296 /nfs/dbraw/zinc/04/42/96/513044296.db2.gz ZKAGONGNYPPBKI-UHFFFAOYSA-N -1 2 363.391 2.519 20 0 FFADLM C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000448357630 513740578 /nfs/dbraw/zinc/74/05/78/513740578.db2.gz ZIMSCBXZPGEVTH-JKSUJKDBSA-N -1 2 353.470 3.386 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)ccc1F ZINC000436159513 513778376 /nfs/dbraw/zinc/77/83/76/513778376.db2.gz GFSGSRCELJYTOE-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000436172909 513782316 /nfs/dbraw/zinc/78/23/16/513782316.db2.gz OJPXXSAFABWTAG-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000436524781 513886309 /nfs/dbraw/zinc/88/63/09/513886309.db2.gz BHBGBISUTWAKIX-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM COc1c(Cl)cccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436726306 513958670 /nfs/dbraw/zinc/95/86/70/513958670.db2.gz VLAAKWCGLBIJGE-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000489022545 514677151 /nfs/dbraw/zinc/67/71/51/514677151.db2.gz NNOQQOHJHWTEGV-UHFFFAOYSA-N -1 2 356.425 2.522 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc(C(=O)[O-])c1C ZINC000471119105 514759504 /nfs/dbraw/zinc/75/95/04/514759504.db2.gz OQFLVAQCLVJQBY-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000484955725 514854401 /nfs/dbraw/zinc/85/44/01/514854401.db2.gz HYKCZZKFNQUFIO-UHFFFAOYSA-N -1 2 371.361 2.791 20 0 FFADLM CC(=O)N(C)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000467080065 514891277 /nfs/dbraw/zinc/89/12/77/514891277.db2.gz RVMHCEKCZQAHEC-UHFFFAOYSA-N -1 2 368.436 2.538 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489582960 514905958 /nfs/dbraw/zinc/90/59/58/514905958.db2.gz IMPUONIAWJEWSI-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)cc1C ZINC000471578874 514936165 /nfs/dbraw/zinc/93/61/65/514936165.db2.gz VECBUWXWSLPQQU-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C)cc2F)c1OC ZINC000467301941 514970422 /nfs/dbraw/zinc/97/04/22/514970422.db2.gz UFRSKELPISOBSD-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509091402 515019677 /nfs/dbraw/zinc/01/96/77/515019677.db2.gz YMOQLJPFSMIXEK-UHFFFAOYSA-N -1 2 369.782 2.876 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(O)c1 ZINC000471940876 515060903 /nfs/dbraw/zinc/06/09/03/515060903.db2.gz DFJNCAAXQSPOLB-UHFFFAOYSA-N -1 2 350.327 2.512 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2OC2CCCC2)c[nH]1 ZINC000509583506 515245979 /nfs/dbraw/zinc/24/59/79/515245979.db2.gz BBFVZLFWWNVQFR-UHFFFAOYSA-N -1 2 350.396 2.835 20 0 FFADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000504507570 515317506 /nfs/dbraw/zinc/31/75/06/515317506.db2.gz JPKUAUGUGVFQCG-UHFFFAOYSA-N -1 2 357.334 2.619 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc3c2OCCC3)sc1C(=O)[O-] ZINC000464537471 515866753 /nfs/dbraw/zinc/86/67/53/515866753.db2.gz KARWSTSVJLRXGO-UHFFFAOYSA-N -1 2 353.421 2.881 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc(OCCF)c2)sc1C(=O)[O-] ZINC000470451212 516255601 /nfs/dbraw/zinc/25/56/01/516255601.db2.gz ITJASQJQRQPQGY-UHFFFAOYSA-N -1 2 359.400 2.904 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cs1 ZINC000460841129 516263861 /nfs/dbraw/zinc/26/38/61/516263861.db2.gz SIVWXAIOZBTTJG-UHFFFAOYSA-N -1 2 367.326 2.988 20 0 FFADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000547608518 516432212 /nfs/dbraw/zinc/43/22/12/516432212.db2.gz FVUPIFJVHHGYDY-UHFFFAOYSA-N -1 2 370.402 2.748 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547883276 516617260 /nfs/dbraw/zinc/61/72/60/516617260.db2.gz OXQFUPMXHFMVQL-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000547934649 516641757 /nfs/dbraw/zinc/64/17/57/516641757.db2.gz HEHNCIWYUGUFOP-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc2[nH]ncc21 ZINC000551948576 516980699 /nfs/dbraw/zinc/98/06/99/516980699.db2.gz FLDGZOGEWQZGGT-UHFFFAOYSA-N -1 2 359.407 2.987 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000522358543 518087195 /nfs/dbraw/zinc/08/71/95/518087195.db2.gz AIEAHQYLDCQMBR-UHFFFAOYSA-N -1 2 373.381 2.858 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000591679664 519994689 /nfs/dbraw/zinc/99/46/89/519994689.db2.gz XWAJIZJESWVFPU-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM COC(=O)c1csc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000611443515 521160124 /nfs/dbraw/zinc/16/01/24/521160124.db2.gz ABWAIPQTKQXLGM-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000521913352 562186292 /nfs/dbraw/zinc/18/62/92/562186292.db2.gz SHNZVSCRBNHRFJ-UHFFFAOYSA-N -1 2 371.403 2.862 20 0 FFADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000819626071 597313732 /nfs/dbraw/zinc/31/37/32/597313732.db2.gz DPPDXKVSDCZIAX-UHFFFAOYSA-N -1 2 361.206 2.816 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1 ZINC000737266380 599813247 /nfs/dbraw/zinc/81/32/47/599813247.db2.gz LHHVTFSCPIDPCA-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000325509186 599852693 /nfs/dbraw/zinc/85/26/93/599852693.db2.gz NNCZWMBKBAQBDK-UHFFFAOYSA-N -1 2 359.325 2.922 20 0 FFADLM COc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC000320078217 600049295 /nfs/dbraw/zinc/04/92/95/600049295.db2.gz XGZBFABHKSHJID-UHFFFAOYSA-N -1 2 370.433 2.865 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(-c2ccccc2)n1 ZINC000738463804 600052511 /nfs/dbraw/zinc/05/25/11/600052511.db2.gz NTNWBJQFBWHKCB-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738753617 600244592 /nfs/dbraw/zinc/24/45/92/600244592.db2.gz DCRCBWADLFGFCB-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000738735345 600361256 /nfs/dbraw/zinc/36/12/56/600361256.db2.gz ANQXOIRAEZMNCY-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1C(=O)[O-] ZINC000833055166 600828198 /nfs/dbraw/zinc/82/81/98/600828198.db2.gz AHQIRMJXQOFZRQ-UHFFFAOYSA-N -1 2 369.468 2.640 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1C(=O)[O-] ZINC000832973154 600988916 /nfs/dbraw/zinc/98/89/16/600988916.db2.gz XBZZESTZZYHYOQ-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829373484 601201623 /nfs/dbraw/zinc/20/16/23/601201623.db2.gz YJRFBARCDHONEG-UHFFFAOYSA-N -1 2 351.428 2.881 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1C(=O)[O-] ZINC000743266125 601334465 /nfs/dbraw/zinc/33/44/65/601334465.db2.gz HEZIBCIIUALBLB-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1C ZINC000832866655 601502845 /nfs/dbraw/zinc/50/28/45/601502845.db2.gz PSAQDPRJJQWIBB-UHFFFAOYSA-N -1 2 353.425 2.531 20 0 FFADLM CCCc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829574094 601843920 /nfs/dbraw/zinc/84/39/20/601843920.db2.gz PXDDLMGGPXISLA-UHFFFAOYSA-N -1 2 361.832 2.643 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1 ZINC000833324517 602103598 /nfs/dbraw/zinc/10/35/98/602103598.db2.gz UGICDFSBUFQDHZ-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000831851683 602119618 /nfs/dbraw/zinc/11/96/18/602119618.db2.gz FRAQCRKVPMIOMW-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1-c1ncco1 ZINC000832950726 602201897 /nfs/dbraw/zinc/20/18/97/602201897.db2.gz XSYUNXUKPZQZBE-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000740529897 603182755 /nfs/dbraw/zinc/18/27/55/603182755.db2.gz OTWQJNBABZEAMT-UHFFFAOYSA-N -1 2 368.361 2.802 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000833244222 604623283 /nfs/dbraw/zinc/62/32/83/604623283.db2.gz WYTROIYYPHSSQH-UHFFFAOYSA-N -1 2 364.807 2.754 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000833243165 604625011 /nfs/dbraw/zinc/62/50/11/604625011.db2.gz ASNKJOAKCIVZRD-FPLPWBNLSA-N -1 2 356.400 2.712 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnc1Cl ZINC000156358555 728848911 /nfs/dbraw/zinc/84/89/11/728848911.db2.gz AXUDYJDMGYHIRJ-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000160031923 728916221 /nfs/dbraw/zinc/91/62/21/728916221.db2.gz GSHIFUMKWOSYHP-UHFFFAOYSA-N -1 2 352.318 2.945 20 0 FFADLM COCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000325867531 729759646 /nfs/dbraw/zinc/75/96/46/729759646.db2.gz XZYTWBHHZMDKTC-UHFFFAOYSA-N -1 2 357.334 2.610 20 0 FFADLM CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)s1 ZINC000486110838 729914299 /nfs/dbraw/zinc/91/42/99/729914299.db2.gz SHSHRKXEQZYOBK-UHFFFAOYSA-N -1 2 357.457 2.724 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC000507595972 729926681 /nfs/dbraw/zinc/92/66/81/729926681.db2.gz MOGVZQYVARXXAA-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCOC3)sc1C(=O)[O-] ZINC000656635871 731617236 /nfs/dbraw/zinc/61/72/36/731617236.db2.gz LJLRABIHLSTXDD-UHFFFAOYSA-N -1 2 353.421 2.628 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663038140 732374727 /nfs/dbraw/zinc/37/47/27/732374727.db2.gz MOJXUZIQHJNKNG-UHFFFAOYSA-N -1 2 363.439 2.781 20 0 FFADLM COCc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000766580294 737244068 /nfs/dbraw/zinc/24/40/68/737244068.db2.gz LVPXIWDECKTXQX-UHFFFAOYSA-N -1 2 353.371 2.780 20 0 FFADLM COc1cc(Cl)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000775358188 738086895 /nfs/dbraw/zinc/08/68/95/738086895.db2.gz IWBDMFQAKMTFSP-UHFFFAOYSA-N -1 2 360.757 2.659 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1 ZINC000795387053 740014925 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Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001184668725 1002681901 /nfs/dbraw/zinc/68/19/01/1002681901.db2.gz ZLDXRUKZQFRUSW-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C ZINC001185876352 1003090164 /nfs/dbraw/zinc/09/01/64/1003090164.db2.gz MWSWFHJUUKRAKD-UHFFFAOYSA-N -1 2 351.428 2.525 20 0 FFADLM COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739171 1004717543 /nfs/dbraw/zinc/71/75/43/1004717543.db2.gz MJHDIENOKAWJMK-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1cnn(-c2cccc(C)c2)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746853 1004721242 /nfs/dbraw/zinc/72/12/42/1004721242.db2.gz NTMHLGQRBWOJTM-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc3occc3c2)c(F)cc1F ZINC001195205119 1004916286 /nfs/dbraw/zinc/91/62/86/1004916286.db2.gz HDMXXDHZRUOHHQ-UHFFFAOYSA-N -1 2 354.290 2.605 20 0 FFADLM CC(C)(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001187545833 1006135237 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SKYGTZYQPBIQBH-VDISTLRHSA-N -1 2 373.342 2.935 20 0 FFADLM C[N@@H+]1CC[C@@H](Oc2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)C1 ZINC001234725858 1037159028 /nfs/dbraw/zinc/15/90/28/1037159028.db2.gz PPVMPMGSCPQDPB-CYBMUJFWSA-N -1 2 353.374 2.954 20 0 FFADLM Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(O)c2Cl)C3)n(C)n1 ZINC001278910392 1038379266 /nfs/dbraw/zinc/37/92/66/1038379266.db2.gz DSAZPLSKLVASGO-PBHICJAKSA-N -1 2 360.889 2.794 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC001257090222 1038705770 /nfs/dbraw/zinc/70/57/70/1038705770.db2.gz ZLRSMANGWACNEI-UHFFFAOYSA-N -1 2 373.434 2.749 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213914 1039808080 /nfs/dbraw/zinc/80/80/80/1039808080.db2.gz STZCPHJERHVZQH-UHFFFAOYSA-N -1 2 374.777 2.690 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001260220863 1040470471 /nfs/dbraw/zinc/47/04/71/1040470471.db2.gz RPZURPFESJJZCC-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CC(C)c1c(Cl)ncnc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222774 1040472810 /nfs/dbraw/zinc/47/28/10/1040472810.db2.gz CZPMYQGKQNTSMG-UHFFFAOYSA-N -1 2 355.803 2.752 20 0 FFADLM COC(=O)c1nc2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2[nH]1 ZINC001241989551 1044654520 /nfs/dbraw/zinc/65/45/20/1044654520.db2.gz WNNYNFAJTRAWCX-UHFFFAOYSA-N -1 2 351.406 2.849 20 0 FFADLM COC(=O)c1nc2ccc(-c3ccccc3C[NH+]3CCOCC3)cc2[nH]1 ZINC001241989551 1044654529 /nfs/dbraw/zinc/65/45/29/1044654529.db2.gz WNNYNFAJTRAWCX-UHFFFAOYSA-N -1 2 351.406 2.849 20 0 FFADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001242889361 1044817506 /nfs/dbraw/zinc/81/75/06/1044817506.db2.gz NNNJPKBTQMROEK-UHFFFAOYSA-N -1 2 353.742 2.647 20 0 FFADLM O=[P@]([O-])(O)c1ccc(-c2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001242889361 1044817525 /nfs/dbraw/zinc/81/75/25/1044817525.db2.gz NNNJPKBTQMROEK-UHFFFAOYSA-N -1 2 353.742 2.647 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCCCC(=O)[O-] ZINC001329939350 1048977422 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C[C@H](C(F)(F)F)S(=O)(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000899950031 735573614 /nfs/dbraw/zinc/57/36/14/735573614.db2.gz MQVFSZROPQKZSO-MRVPVSSYSA-N -1 2 365.329 2.544 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000755978810 736295141 /nfs/dbraw/zinc/29/51/41/736295141.db2.gz KSMXMVAASDYNHL-UHFFFAOYSA-N -1 2 370.814 2.562 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc(C(=O)[O-])c1Cl ZINC000759104050 736547207 /nfs/dbraw/zinc/54/72/07/736547207.db2.gz WEBXXLWJWXWPRT-UHFFFAOYSA-N -1 2 371.846 3.000 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnc(Cl)cc2C)c1 ZINC000765141962 737086445 /nfs/dbraw/zinc/08/64/45/737086445.db2.gz RKKKIERRJDYOLZ-UHFFFAOYSA-N -1 2 356.787 2.556 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000766328780 737219579 /nfs/dbraw/zinc/21/95/79/737219579.db2.gz FWSORZIZFNFWAS-UHFFFAOYSA-N -1 2 367.333 2.649 20 0 FFADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1O ZINC000778567556 738394639 /nfs/dbraw/zinc/39/46/39/738394639.db2.gz WAVIRWMIMFDYOK-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CCc1cc2c(C[N@@H+]3CCO[C@@]4(CCSC4)C3)cc(=O)oc2cc1O ZINC000829285540 745188434 /nfs/dbraw/zinc/18/84/34/745188434.db2.gz DSTYZOWKGFVYLP-IBGZPJMESA-N -1 2 361.463 2.769 20 0 FFADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)sc1C ZINC000321377577 970766414 /nfs/dbraw/zinc/76/64/14/970766414.db2.gz WKOBBCDDRZHQEB-UHFFFAOYSA-N -1 2 356.425 2.522 20 0 FFADLM Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1c(C)cc(O)cc1O)C2 ZINC001279106495 960165330 /nfs/dbraw/zinc/16/53/30/960165330.db2.gz BYTPBAOPTPWVHF-OKILXGFUSA-N -1 2 373.478 2.660 20 0 FFADLM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000660747231 972735939 /nfs/dbraw/zinc/73/59/39/972735939.db2.gz RMKJZMZHCUHJCB-UHFFFAOYSA-N -1 2 368.359 2.973 20 0 FFADLM CCc1nc(NS(=O)(=O)c2ccc3nc(C)oc3c2)sc1C(=O)[O-] ZINC001597685319 988833184 /nfs/dbraw/zinc/83/31/84/988833184.db2.gz ISPJCIAJSPLBAT-UHFFFAOYSA-N -1 2 367.408 2.654 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCCF ZINC001597791179 989319262 /nfs/dbraw/zinc/31/92/62/989319262.db2.gz MQQNKTHVWFXQFX-UHFFFAOYSA-N -1 2 357.359 2.689 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(CC2CCC2)n1 ZINC001184666881 1002681188 /nfs/dbraw/zinc/68/11/88/1002681188.db2.gz CJRHHMJICRLAEE-UHFFFAOYSA-N -1 2 363.439 2.799 20 0 FFADLM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(F)ncc1C(F)(F)F ZINC001185708275 1003050817 /nfs/dbraw/zinc/05/08/17/1003050817.db2.gz OQLYGHDUBHQSIB-UHFFFAOYSA-N -1 2 352.251 2.672 20 0 FFADLM Cc1cc(C)c(NC(=O)c2ncc(C(F)(F)F)[nH]2)c(S(=O)(=O)[O-])c1 ZINC001188288934 1006480989 /nfs/dbraw/zinc/48/09/89/1006480989.db2.gz PHMMLTMOZVPWSJ-UHFFFAOYSA-N -1 2 363.317 2.544 20 0 FFADLM O=C1C[C@]2(CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CN1c1ccccn1 ZINC001233395087 1036595590 /nfs/dbraw/zinc/59/55/90/1036595590.db2.gz LNZNYZQSSPDOJM-IBGZPJMESA-N -1 2 359.376 2.694 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2CCO3)c(F)cc1Cl ZINC001259220053 1039813896 /nfs/dbraw/zinc/81/38/96/1039813896.db2.gz QVKZUYXWHWCPLG-UHFFFAOYSA-N -1 2 371.773 2.913 20 0 FFADLM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cc(F)cc(F)c3O)nc2)no1 ZINC001243500991 1044939883 /nfs/dbraw/zinc/93/98/83/1044939883.db2.gz AWIVYBNUWNZVMN-UHFFFAOYSA-N -1 2 367.333 2.830 20 0 FFADLM CCCOc1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1F ZINC001586492126 1079639217 /nfs/dbraw/zinc/63/92/17/1079639217.db2.gz MUSCQYHFUQTABN-UHFFFAOYSA-N -1 2 372.356 2.925 20 0 FFADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001589640828 1080645835 /nfs/dbraw/zinc/64/58/35/1080645835.db2.gz IQIWFHDCFQDWEA-UHFFFAOYSA-N -1 2 363.439 2.771 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)cc1C(=O)[O-] ZINC000273408535 252300272 /nfs/dbraw/zinc/30/02/72/252300272.db2.gz MFKKWGNONRUWMB-UHFFFAOYSA-N -1 2 359.354 2.717 20 0 FFADLM Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000278066338 256273058 /nfs/dbraw/zinc/27/30/58/256273058.db2.gz KSWKRFLEQUFKPH-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM CCOc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1OC ZINC000042795564 506669295 /nfs/dbraw/zinc/66/92/95/506669295.db2.gz XGLWPKNUFCYNDT-UHFFFAOYSA-N -1 2 371.436 2.963 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000055582532 506788321 /nfs/dbraw/zinc/78/83/21/506788321.db2.gz JGXNSUZLEIPNFD-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM COc1cccc([C@@H]2[C@H](NS(=O)(=O)c3ccco3)CC[N@H+]2C2CC2)c1 ZINC000188814110 509276113 /nfs/dbraw/zinc/27/61/13/509276113.db2.gz BRMDTGXAXLOAOZ-SJLPKXTDSA-N -1 2 362.451 2.545 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1C ZINC000266111997 510414870 /nfs/dbraw/zinc/41/48/70/510414870.db2.gz WHLHTYBRNXVPGU-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000181675367 510534591 /nfs/dbraw/zinc/53/45/91/510534591.db2.gz XVDDULSAMAOVHC-UHFFFAOYSA-N -1 2 369.418 2.794 20 0 FFADLM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1cccc2[nH]nnc21 ZINC000188588264 510836295 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CCOc1ncc(C)cc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000451075059 513499157 /nfs/dbraw/zinc/49/91/57/513499157.db2.gz ZLPOLAFVXKDDFB-UHFFFAOYSA-N -1 2 364.423 2.850 20 0 FFADLM CCOC(=O)c1coc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)n1 ZINC000418864679 513676428 /nfs/dbraw/zinc/67/64/28/513676428.db2.gz ILZFNKJTYABEPP-OAHLLOKOSA-N -1 2 373.453 3.163 20 0 FFADLM CC[C@H]1CCCC[N@@H+]1CCNC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000448365324 513743720 /nfs/dbraw/zinc/74/37/20/513743720.db2.gz XCZFAUPDOZTKPK-KRWDZBQOSA-N -1 2 353.470 3.530 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436934656 514039037 /nfs/dbraw/zinc/03/90/37/514039037.db2.gz YFJZZUJPICAXHP-JTQLQIEISA-N -1 2 365.411 2.503 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccccc2OCC2CC2)c1 ZINC000436994426 514068036 /nfs/dbraw/zinc/06/80/36/514068036.db2.gz MVTKXYJGFCCSDG-UHFFFAOYSA-N -1 2 363.391 2.680 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1O ZINC000436998185 514070260 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COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000509104033 515027109 /nfs/dbraw/zinc/02/71/09/515027109.db2.gz SLLLXVNGLCWALD-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2[nH]ncc2c(C)c1 ZINC000499265287 515261363 /nfs/dbraw/zinc/26/13/63/515261363.db2.gz JYWYYCDMCJAIGH-UHFFFAOYSA-N -1 2 359.407 2.933 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c[nH]1 ZINC000481466804 515337052 /nfs/dbraw/zinc/33/70/52/515337052.db2.gz OIHCMROZSXEENG-UHFFFAOYSA-N -1 2 372.362 2.650 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000477423063 515451012 /nfs/dbraw/zinc/45/10/12/515451012.db2.gz OBPQLQXBAGPEKH-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000463777007 515612223 /nfs/dbraw/zinc/61/22/23/515612223.db2.gz WFEJMZIQOQBEPE-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COCCCOc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000511194805 515824328 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COc1cc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)ccc1C(=O)[O-] ZINC000567175939 518390164 /nfs/dbraw/zinc/39/01/64/518390164.db2.gz AMSGTWZJJMFRPQ-UHFFFAOYSA-N -1 2 367.427 2.588 20 0 FFADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)[nH]1 ZINC000570058322 518422017 /nfs/dbraw/zinc/42/20/17/518422017.db2.gz ZUYSMVQWNDATHU-GFCCVEGCSA-N -1 2 374.832 2.636 20 0 FFADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CCC(F)(F)F ZINC000574142382 519008147 /nfs/dbraw/zinc/00/81/47/519008147.db2.gz XSKJZABMRJNVII-UHFFFAOYSA-N -1 2 359.297 2.617 20 0 FFADLM C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000575000495 519445497 /nfs/dbraw/zinc/44/54/97/519445497.db2.gz DUNYUXUENHYFRU-ZDUSSCGKSA-N -1 2 370.453 2.995 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630424183 522837515 /nfs/dbraw/zinc/83/75/15/522837515.db2.gz QZRXFWDKIABWPQ-NWDGAFQWSA-N -1 2 353.421 2.746 20 0 FFADLM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737275602 599813981 /nfs/dbraw/zinc/81/39/81/599813981.db2.gz ZVTHJRZSXLKUFN-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000740147080 600052212 /nfs/dbraw/zinc/05/22/12/600052212.db2.gz YUEWXHJXGZHDOC-UHFFFAOYSA-N -1 2 356.400 2.660 20 0 FFADLM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737834536 600232210 /nfs/dbraw/zinc/23/22/10/600232210.db2.gz FUHDPVUNIHFSOH-UHFFFAOYSA-N -1 2 357.334 2.610 20 0 FFADLM O=C([O-])CCc1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000739777206 600633417 /nfs/dbraw/zinc/63/34/17/600633417.db2.gz KWIWHCMUGSMBMV-UHFFFAOYSA-N -1 2 362.342 2.602 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899944 600827655 /nfs/dbraw/zinc/82/76/55/600827655.db2.gz VROKRLHDCRWGKV-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737221949 600890757 /nfs/dbraw/zinc/89/07/57/600890757.db2.gz GDLMXFBFVYGUTA-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CCOc1ccc2nc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2c1 ZINC000324018426 600974272 /nfs/dbraw/zinc/97/42/72/600974272.db2.gz LIXISICWWNOUNO-UHFFFAOYSA-N -1 2 367.408 2.522 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccc2)n1 ZINC000832899832 600974942 /nfs/dbraw/zinc/97/49/42/600974942.db2.gz RKYHTSRDMORNTL-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000829508531 601232771 /nfs/dbraw/zinc/23/27/71/601232771.db2.gz URUKWVWKRPOTBU-UHFFFAOYSA-N -1 2 364.423 2.813 20 0 FFADLM CCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000829508531 601232772 /nfs/dbraw/zinc/23/27/72/601232772.db2.gz URUKWVWKRPOTBU-UHFFFAOYSA-N -1 2 364.423 2.813 20 0 FFADLM Cc1ccc(F)cc1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000321751020 601771080 /nfs/dbraw/zinc/77/10/80/601771080.db2.gz MJZRPZFOZXZMLD-UHFFFAOYSA-N -1 2 358.416 2.799 20 0 FFADLM CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830049816 601835972 /nfs/dbraw/zinc/83/59/72/601835972.db2.gz QIMKCCNHMYAGKO-UHFFFAOYSA-N -1 2 374.777 2.772 20 0 FFADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832887012 602158889 /nfs/dbraw/zinc/15/88/89/602158889.db2.gz QXXIYIIIRMJRIW-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000827718385 603400408 /nfs/dbraw/zinc/40/04/08/603400408.db2.gz ZGXUXUJURNLRRI-JTQLQIEISA-N -1 2 366.443 2.649 20 0 FFADLM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccccc1Cl)OCO2 ZINC000832829186 603889396 /nfs/dbraw/zinc/88/93/96/603889396.db2.gz PAGFQGREGGLZJU-UHFFFAOYSA-N -1 2 370.770 2.959 20 0 FFADLM CC1(C)Cc2cc(S(=O)(=O)Nc3sccc3C(=O)[O-])ccc2O1 ZINC000833562117 605204147 /nfs/dbraw/zinc/20/41/47/605204147.db2.gz IODFPNCJDIVLPV-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833733817 605240230 /nfs/dbraw/zinc/24/02/30/605240230.db2.gz RKVNPGHFJOJOKZ-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000833747635 605344001 /nfs/dbraw/zinc/34/40/01/605344001.db2.gz AXQODFGQVIKYNW-UHFFFAOYSA-N -1 2 364.427 2.591 20 0 FFADLM COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000746055451 735460411 /nfs/dbraw/zinc/46/04/11/735460411.db2.gz LWSUQLAOXDSEKP-UHFFFAOYSA-N -1 2 373.770 2.527 20 0 FFADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c(F)c1 ZINC000032596982 727924090 /nfs/dbraw/zinc/92/40/90/727924090.db2.gz BQTRVEMMYFTMDY-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C)c1O ZINC000325860893 729759580 /nfs/dbraw/zinc/75/95/80/729759580.db2.gz WKAFAKGRNNJNJU-UHFFFAOYSA-N -1 2 357.334 2.786 20 0 FFADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656631915 731615569 /nfs/dbraw/zinc/61/55/69/731615569.db2.gz QZUGYHMRJALBCD-KRWDZBQOSA-N -1 2 355.456 2.932 20 0 FFADLM Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000685902302 734351104 /nfs/dbraw/zinc/35/11/04/734351104.db2.gz CEGVWBQVZUCNRO-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000774013931 737953282 /nfs/dbraw/zinc/95/32/82/737953282.db2.gz XQYVMEUGQLRRCE-UHFFFAOYSA-N -1 2 358.778 2.809 20 0 FFADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000793406323 739778174 /nfs/dbraw/zinc/77/81/74/739778174.db2.gz RLGVFBFDINDVQY-UHFFFAOYSA-N -1 2 355.391 2.654 20 0 FFADLM CCCn1cc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000794864427 739936911 /nfs/dbraw/zinc/93/69/11/739936911.db2.gz FCIBZMYIYCSVDB-UHFFFAOYSA-N -1 2 357.819 2.754 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1O ZINC000821101842 742588260 /nfs/dbraw/zinc/58/82/60/742588260.db2.gz GVLXEPMCCVXSKP-UHFFFAOYSA-N -1 2 369.782 2.747 20 0 FFADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000394908227 845863478 /nfs/dbraw/zinc/86/34/78/845863478.db2.gz VOQGRLKVQBBGPJ-UHFFFAOYSA-N -1 2 369.345 2.789 20 0 FFADLM CCCN(Cc1nc(C(=O)[O-])cs1)Cc1nc(=O)c2sccc2[nH]1 ZINC001595890735 982921475 /nfs/dbraw/zinc/92/14/75/982921475.db2.gz BEHFGAMOJYEWHZ-UHFFFAOYSA-N -1 2 364.452 2.964 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCCC2=O ZINC001597790498 989312388 /nfs/dbraw/zinc/31/23/88/989312388.db2.gz FRHSRPJKDQYBJS-UHFFFAOYSA-N -1 2 363.391 2.860 20 0 FFADLM CN(C)c1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC001598300767 991248779 /nfs/dbraw/zinc/24/87/79/991248779.db2.gz AXDBRCDOSMTSQL-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001599390582 997027695 /nfs/dbraw/zinc/02/76/95/997027695.db2.gz DXAFULQUTXULEX-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC001599292844 997090518 /nfs/dbraw/zinc/09/05/18/997090518.db2.gz JBTIOJAHXRMRRD-UHFFFAOYSA-N -1 2 370.452 2.912 20 0 FFADLM COc1c(F)cccc1S(=O)(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599335596 997830365 /nfs/dbraw/zinc/83/03/65/997830365.db2.gz MSAXXMOHLUAFCR-UHFFFAOYSA-N -1 2 372.399 2.667 20 0 FFADLM O=S(=O)(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(O)cc(F)c1 ZINC001184639965 1002674182 /nfs/dbraw/zinc/67/41/82/1002674182.db2.gz MPSYLBJZKGQZJU-HNNXBMFYSA-N -1 2 370.471 2.708 20 0 FFADLM COc1cccc(OC)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185905973 1003110147 /nfs/dbraw/zinc/11/01/47/1003110147.db2.gz IDJUCTOVXLBDBM-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM COc1cccc(C(C)=O)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186187922 1003210328 /nfs/dbraw/zinc/21/03/28/1003210328.db2.gz CLUNTZYEOHUBSP-UHFFFAOYSA-N -1 2 367.354 2.536 20 0 FFADLM CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195447 1004914029 /nfs/dbraw/zinc/91/40/29/1004914029.db2.gz ZBURNLOCXAKPPX-UHFFFAOYSA-N -1 2 356.350 2.982 20 0 FFADLM CCOc1cncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187553268 1006141781 /nfs/dbraw/zinc/14/17/81/1006141781.db2.gz MBVXYLJLAXRPME-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CCCOC[C@H](C)Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001230188377 1037134059 /nfs/dbraw/zinc/13/40/59/1037134059.db2.gz JGUJKISODUJBCY-HNNXBMFYSA-N -1 2 357.454 2.934 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn3ccccc23)c(F)cc1Cl ZINC001259214221 1039807179 /nfs/dbraw/zinc/80/71/79/1039807179.db2.gz IDWWIFBDNPSMEM-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM Cc1c(CO)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220207 1039813934 /nfs/dbraw/zinc/81/39/34/1039813934.db2.gz ZMQQLPXWKRIRNY-UHFFFAOYSA-N -1 2 373.789 2.779 20 0 FFADLM O=S(=O)([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001259457541 1040023686 /nfs/dbraw/zinc/02/36/86/1040023686.db2.gz AIXWORBPTOJHAQ-UHFFFAOYSA-N -1 2 365.791 2.527 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc3c(cccc3O)s2)c1 ZINC001260207939 1040462135 /nfs/dbraw/zinc/46/21/35/1040462135.db2.gz BVZWZVPUWSGQFT-UHFFFAOYSA-N -1 2 368.367 2.640 20 0 FFADLM C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001590194708 1081084617 /nfs/dbraw/zinc/08/46/17/1081084617.db2.gz YCZPGMOLUZGKHM-SECBINFHSA-N -1 2 370.791 2.578 20 0 FFADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000192604751 251294259 /nfs/dbraw/zinc/29/42/59/251294259.db2.gz JHXXLTJDYXWIFS-ZDUSSCGKSA-N -1 2 354.410 2.567 20 0 FFADLM CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3O)c2O1 ZINC000410042293 512189556 /nfs/dbraw/zinc/18/95/56/512189556.db2.gz LNWBMWHQOBJLFA-UHFFFAOYSA-N -1 2 363.391 2.605 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000013301737 506936060 /nfs/dbraw/zinc/93/60/60/506936060.db2.gz WXQJXUQGPWLSBE-UHFFFAOYSA-N -1 2 357.409 2.654 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1C ZINC000187748373 510416731 /nfs/dbraw/zinc/41/67/31/510416731.db2.gz KXXJYRKMMIRAPQ-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000184635425 510432440 /nfs/dbraw/zinc/43/24/40/510432440.db2.gz CPHMOPYGCFFODD-UHFFFAOYSA-N -1 2 351.428 2.655 20 0 FFADLM COc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1O ZINC000184854679 510548101 /nfs/dbraw/zinc/54/81/01/510548101.db2.gz XMMYBJWTOIMNFA-UHFFFAOYSA-N -1 2 367.405 2.950 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000313212226 511788828 /nfs/dbraw/zinc/78/88/28/511788828.db2.gz AZAJKVHCEDPVDR-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 ZINC000324273556 511835127 /nfs/dbraw/zinc/83/51/27/511835127.db2.gz ZAJPCCCUEPWGAE-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000327141540 511869720 /nfs/dbraw/zinc/86/97/20/511869720.db2.gz CLYZDCQLJOIOHQ-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM O=C(NCc1ccc(O)c(Br)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000374460310 512843002 /nfs/dbraw/zinc/84/30/02/512843002.db2.gz FWWPZPYOLBLVNK-GFCCVEGCSA-N -1 2 365.231 2.755 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cnc1OC(C)C ZINC000451096814 513517220 /nfs/dbraw/zinc/51/72/20/513517220.db2.gz PIBZMYYHSQXUNZ-UHFFFAOYSA-N -1 2 374.802 2.923 20 0 FFADLM Cc1c(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cccc1C(=O)[O-] ZINC000436000362 513734457 /nfs/dbraw/zinc/73/44/57/513734457.db2.gz COQLIFDISBSPBA-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CC1 ZINC000436473942 513863652 /nfs/dbraw/zinc/86/36/52/513863652.db2.gz ARIWIJGCMJURKT-UHFFFAOYSA-N -1 2 368.238 2.927 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc3c2OCCC3)c1 ZINC000436699169 513947860 /nfs/dbraw/zinc/94/78/60/513947860.db2.gz QKQHDYSLUUDBHS-UHFFFAOYSA-N -1 2 363.391 2.525 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2c(C(F)F)c(C)nn2C)c(C(=O)[O-])c1 ZINC000414174952 513996934 /nfs/dbraw/zinc/99/69/34/513996934.db2.gz YOYRNTUPWJCKSO-UHFFFAOYSA-N -1 2 373.381 2.728 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000436997549 514069646 /nfs/dbraw/zinc/06/96/46/514069646.db2.gz WNUVHYKHYKYOTG-UHFFFAOYSA-N -1 2 374.374 2.910 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000436996676 514069871 /nfs/dbraw/zinc/06/98/71/514069871.db2.gz UUILTWIYHADOMG-UHFFFAOYSA-N -1 2 363.391 2.680 20 0 FFADLM c1ccc(N2CC[NH+](CCCCN=c3[nH]nc(C4CC4)s3)CC2)cc1 ZINC000432143144 514107518 /nfs/dbraw/zinc/10/75/18/514107518.db2.gz IMIJYAOUFGLYRA-UHFFFAOYSA-N -1 2 357.527 3.430 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000444417753 514223263 /nfs/dbraw/zinc/22/32/63/514223263.db2.gz GPPYYZUFBDLDKM-UHFFFAOYSA-N -1 2 373.390 2.584 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1F ZINC000489436091 514845344 /nfs/dbraw/zinc/84/53/44/514845344.db2.gz WPSWWJIJIGTMTF-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC ZINC000484961882 514857212 /nfs/dbraw/zinc/85/72/12/514857212.db2.gz RKMSIBZVFQNSAI-UHFFFAOYSA-N -1 2 365.407 2.522 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000484981459 514863416 /nfs/dbraw/zinc/86/34/16/514863416.db2.gz SSSOTLOTKHHZNP-UHFFFAOYSA-N -1 2 371.361 2.791 20 0 FFADLM COc1ccc2c(c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)CCC2 ZINC000480226954 514889238 /nfs/dbraw/zinc/88/92/38/514889238.db2.gz IIZWXOYSEQKJPK-UHFFFAOYSA-N -1 2 365.382 2.822 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000480245601 514895241 /nfs/dbraw/zinc/89/52/41/514895241.db2.gz JKDQBJBVVFYFJK-NSHDSACASA-N -1 2 351.428 2.590 20 0 FFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000476435398 515048642 /nfs/dbraw/zinc/04/86/42/515048642.db2.gz XNHVTMLPSGTGTR-UHFFFAOYSA-N -1 2 371.846 3.000 20 0 FFADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481469544 515338908 /nfs/dbraw/zinc/33/89/08/515338908.db2.gz YPOWNQCOWIVHRD-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CCCc1nc(C)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000486122064 515343343 /nfs/dbraw/zinc/34/33/43/515343343.db2.gz NYZDWXRRTLOYLG-UHFFFAOYSA-N -1 2 354.453 2.832 20 0 FFADLM O=C(c1cc(O)ccc1Cl)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000511847423 516052118 /nfs/dbraw/zinc/05/21/18/516052118.db2.gz YHSUVMYKHNROOQ-MOPGFXCFSA-N -1 2 372.852 2.771 20 0 FFADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000470437245 516245706 /nfs/dbraw/zinc/24/57/06/516245706.db2.gz HXZCWBBNGKLLDV-UHFFFAOYSA-N -1 2 369.370 2.819 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000554431089 516434870 /nfs/dbraw/zinc/43/48/70/516434870.db2.gz YWRYLOMKSPWJJO-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000537194766 517080611 /nfs/dbraw/zinc/08/06/11/517080611.db2.gz HNIXTIARPZZODO-SECBINFHSA-N -1 2 355.391 2.801 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NC3(C(=O)[O-])CCCC3)=N2)cc1 ZINC000532863303 517174546 /nfs/dbraw/zinc/17/45/46/517174546.db2.gz UCORIGXUODBXGW-UHFFFAOYSA-N -1 2 357.410 2.829 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1C ZINC000543165460 517941552 /nfs/dbraw/zinc/94/15/52/517941552.db2.gz FFCCOOWJGNVYEE-NSHDSACASA-N -1 2 365.455 2.899 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1Cl ZINC000534792354 518035746 /nfs/dbraw/zinc/03/57/46/518035746.db2.gz SESVRQBDWKQPFE-UHFFFAOYSA-N -1 2 369.708 2.581 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(=O)[O-])s1 ZINC000572793217 518363242 /nfs/dbraw/zinc/36/32/42/518363242.db2.gz QDGDTGPTUGDMNQ-UHFFFAOYSA-N -1 2 354.453 2.930 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000577734482 519229580 /nfs/dbraw/zinc/22/95/80/519229580.db2.gz SGQHEZSTPKPZMH-LBPRGKRZSA-N -1 2 363.439 2.590 20 0 FFADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnccc1C ZINC000578197705 519468995 /nfs/dbraw/zinc/46/89/95/519468995.db2.gz VERVAOBHFSZMKX-UHFFFAOYSA-N -1 2 350.396 2.678 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(F)c1 ZINC000608343494 519938036 /nfs/dbraw/zinc/93/80/36/519938036.db2.gz ZEFOERARBCMCRO-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000819018802 597315369 /nfs/dbraw/zinc/31/53/69/597315369.db2.gz XQBODEXOCHKDKB-UHFFFAOYSA-N -1 2 351.428 2.509 20 0 FFADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737203643 599853172 /nfs/dbraw/zinc/85/31/72/599853172.db2.gz PRXUDQJHNHQMPO-UHFFFAOYSA-N -1 2 357.409 2.654 20 0 FFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)n1 ZINC000740144447 600247339 /nfs/dbraw/zinc/24/73/39/600247339.db2.gz OQAKZBKVKVSQRC-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CCCCCc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000829373334 600672251 /nfs/dbraw/zinc/67/22/51/600672251.db2.gz RWLXDRAZWQSKBJ-UHFFFAOYSA-N -1 2 351.428 2.501 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)ccc1C(=O)[O-] ZINC000832904320 600988894 /nfs/dbraw/zinc/98/88/94/600988894.db2.gz HCHBRDMOPJWSTA-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000827213813 601328826 /nfs/dbraw/zinc/32/88/26/601328826.db2.gz SGAAGLVZHZFFNN-REPPVQDKSA-N -1 2 361.423 2.753 20 0 FFADLM Cc1cn2cc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)ccc2[nH+]1 ZINC000832985100 601361784 /nfs/dbraw/zinc/36/17/84/601361784.db2.gz BAPFSERHFXBCJB-RUDMXATFSA-N -1 2 357.391 2.541 20 0 FFADLM CCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000830104747 601843877 /nfs/dbraw/zinc/84/38/77/601843877.db2.gz PKZKJCQFTNTBFE-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000833293742 601847625 /nfs/dbraw/zinc/84/76/25/601847625.db2.gz GUGSHBHRTKQDFZ-UHFFFAOYSA-N -1 2 356.400 2.660 20 0 FFADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)[nH]n1 ZINC000829216637 602102282 /nfs/dbraw/zinc/10/22/82/602102282.db2.gz QCPYOXJZYWJJTM-SNVBAGLBSA-N -1 2 367.427 2.821 20 0 FFADLM O=C([O-])Nc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000740712891 602645713 /nfs/dbraw/zinc/64/57/13/602645713.db2.gz GFILSFSYIFWOHL-UHFFFAOYSA-N -1 2 372.406 2.822 20 0 FFADLM CC(C)(C)c1nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833450639 605584210 /nfs/dbraw/zinc/58/42/10/605584210.db2.gz GXBBJPXKAORSDX-UHFFFAOYSA-N -1 2 359.791 2.520 20 0 FFADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000187718726 729380309 /nfs/dbraw/zinc/38/03/09/729380309.db2.gz HYLJHJLBTWALEE-MRVPVSSYSA-N -1 2 371.365 2.631 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000504223265 729924214 /nfs/dbraw/zinc/92/42/14/729924214.db2.gz OFIKQDBNIXGDHZ-UHFFFAOYSA-N -1 2 364.423 2.796 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc(C(=O)[O-])c1Cl ZINC000769869409 737576427 /nfs/dbraw/zinc/57/64/27/737576427.db2.gz PCRXQGMJKHKKBC-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM CC(C)(C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000756935602 736374468 /nfs/dbraw/zinc/37/44/68/736374468.db2.gz GQJWGUKLUKYSGE-UHFFFAOYSA-N -1 2 371.365 2.551 20 0 FFADLM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000935795197 740011915 /nfs/dbraw/zinc/01/19/15/740011915.db2.gz WDTXLUNSNFWZMQ-SSDOTTSWSA-N -1 2 358.181 2.807 20 0 FFADLM CN1CCCc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])s3)cc21 ZINC000833697329 745792161 /nfs/dbraw/zinc/79/21/61/745792161.db2.gz GDCVPJSEPXMVBW-UHFFFAOYSA-N -1 2 352.437 2.630 20 0 FFADLM C[C@@H]1CN(c2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC001176236238 1013656167 /nfs/dbraw/zinc/65/61/67/1013656167.db2.gz JOUGXWDUGVRIJP-TXEJJXNPSA-N -1 2 371.393 2.835 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604194768 972627773 /nfs/dbraw/zinc/62/77/73/972627773.db2.gz GHJNXNMJXPEDQU-UHFFFAOYSA-N -1 2 358.379 2.759 20 0 FFADLM CCc1cc(C(=O)[O-])c(NS(=O)(=O)c2cc(F)ccc2OC)s1 ZINC001597446002 987820252 /nfs/dbraw/zinc/82/02/52/987820252.db2.gz VKVAGSSMIBTASB-UHFFFAOYSA-N -1 2 359.400 2.957 20 0 FFADLM CCc1oncc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001597816824 989449683 /nfs/dbraw/zinc/44/96/83/989449683.db2.gz ZUTCYUDEEUEFFU-UHFFFAOYSA-N -1 2 352.393 2.951 20 0 FFADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cn2C)c1C(C)C ZINC001591533555 992711983 /nfs/dbraw/zinc/71/19/83/992711983.db2.gz MKTIJYZIIZZZSX-UHFFFAOYSA-N -1 2 368.459 2.500 20 0 FFADLM COCc1ccc(OC)c(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC001599295357 997130608 /nfs/dbraw/zinc/13/06/08/997130608.db2.gz YYSQFGCTAOJVCY-UHFFFAOYSA-N -1 2 371.436 2.711 20 0 FFADLM COC(=O)c1cc(C)sc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598927954 997685648 /nfs/dbraw/zinc/68/56/48/997685648.db2.gz FWTNZUBPLTYQOB-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(NC(=O)c2cc(F)cc(F)c2O)c(C(=O)[O-])cc1OC ZINC001599441646 997938401 /nfs/dbraw/zinc/93/84/01/997938401.db2.gz VOZQHBIATNEZHP-UHFFFAOYSA-N -1 2 353.277 2.638 20 0 FFADLM COc1cc(Cl)nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185880074 1003116220 /nfs/dbraw/zinc/11/62/20/1003116220.db2.gz ZWEGYNQOFWYVDB-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM Cc1nn(C)cc1NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196068696 1003660426 /nfs/dbraw/zinc/66/04/26/1003660426.db2.gz YVFRFUNTPZRUCF-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)o1 ZINC001192394080 1004160532 /nfs/dbraw/zinc/16/05/32/1004160532.db2.gz PLWKRGGFYNNZRU-UHFFFAOYSA-N -1 2 351.167 2.789 20 0 FFADLM Cc1nc(Cl)ncc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276843 1006498410 /nfs/dbraw/zinc/49/84/10/1006498410.db2.gz NCSKSCFZKZHQHI-UHFFFAOYSA-N -1 2 362.194 2.591 20 0 FFADLM [S-]c1ccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001233260400 1036471660 /nfs/dbraw/zinc/47/16/60/1036471660.db2.gz BXPJGXPQEGBRSW-UHFFFAOYSA-N -1 2 357.527 2.611 20 0 FFADLM CC(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(F)c(O)c3F)C2)C1=O ZINC001277992562 1038170402 /nfs/dbraw/zinc/17/04/02/1038170402.db2.gz JYDZCIPVIBFRJJ-IBGZPJMESA-N -1 2 366.408 2.668 20 0 FFADLM Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001259212343 1039805236 /nfs/dbraw/zinc/80/52/36/1039805236.db2.gz MPXGFGFRMFGAHI-UHFFFAOYSA-N -1 2 350.780 2.743 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn3nccc3c2)c(F)cc1Cl ZINC001259213888 1039806882 /nfs/dbraw/zinc/80/68/82/1039806882.db2.gz RMGBNFWHLHJILO-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM Cc1cccc(CO)c1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220855 1039813305 /nfs/dbraw/zinc/81/33/05/1039813305.db2.gz KJKMCIXSCBICMU-UHFFFAOYSA-N -1 2 373.789 2.779 20 0 FFADLM Cc1cc(CO)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220682 1039814313 /nfs/dbraw/zinc/81/43/13/1039814313.db2.gz GNYGQGSJIKGHFJ-UHFFFAOYSA-N -1 2 373.789 2.779 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(C)=O ZINC001260215910 1040466347 /nfs/dbraw/zinc/46/63/47/1040466347.db2.gz HDCLHLSNQIUIBM-UHFFFAOYSA-N -1 2 367.354 2.536 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001347681311 1054221021 /nfs/dbraw/zinc/22/10/21/1054221021.db2.gz XPOOKEBNJPWUBO-ZDUSSCGKSA-N -1 2 357.796 2.608 20 0 FFADLM Clc1nc(-c2nnc(N3CCCCCCC3)n2C[C@@H]2CCOC2)n[nH]1 ZINC001519771508 1059049626 /nfs/dbraw/zinc/04/96/26/1059049626.db2.gz JFINJTXWNGJCTF-LBPRGKRZSA-N -1 2 365.869 2.524 20 0 FFADLM Clc1nc(-c2nnc(N3CCCCCCC3)n2C[C@H]2CCOC2)n[nH]1 ZINC001519771507 1059050415 /nfs/dbraw/zinc/05/04/15/1059050415.db2.gz JFINJTXWNGJCTF-GFCCVEGCSA-N -1 2 365.869 2.524 20 0 FFADLM COc1cccc(SC)c1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC001469112061 1064093193 /nfs/dbraw/zinc/09/31/93/1064093193.db2.gz AMCQSEBBNRKVDW-UHFFFAOYSA-N -1 2 372.406 2.727 20 0 FFADLM C[C@@H](NS(=O)(=O)c1cc(O)cc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001561495706 1076384262 /nfs/dbraw/zinc/38/42/62/1076384262.db2.gz UYGYUWYZSCHLKE-PXAZEXFGSA-N -1 2 352.431 2.501 20 0 FFADLM CCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3cn4c([nH+]3)CCCC4)nc2)n1 ZINC000372988775 512120595 /nfs/dbraw/zinc/12/05/95/512120595.db2.gz FQLGDSJSSZAWCP-UHFFFAOYSA-N -1 2 364.453 2.976 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000273383488 252294899 /nfs/dbraw/zinc/29/48/99/252294899.db2.gz GMRWDVRIPWSOBA-UHFFFAOYSA-N -1 2 359.354 2.772 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000078734020 507902555 /nfs/dbraw/zinc/90/25/55/507902555.db2.gz ZMSNENSSUQPCMO-UHFFFAOYSA-N -1 2 355.391 2.719 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccccc2Br)c1O ZINC000124647807 508864124 /nfs/dbraw/zinc/86/41/24/508864124.db2.gz WMVYNITUTWFQKU-UHFFFAOYSA-N -1 2 372.196 2.654 20 0 FFADLM O=C(c1ccc(O)cc1)N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000130977049 508872040 /nfs/dbraw/zinc/87/20/40/508872040.db2.gz XQXBBOIRBXZXRM-UHFFFAOYSA-N -1 2 362.376 2.952 20 0 FFADLM COc1cccc([C@H]2[C@@H](NS(=O)(=O)c3ccco3)CC[N@H+]2C2CC2)c1 ZINC000188814169 509276727 /nfs/dbraw/zinc/27/67/27/509276727.db2.gz BRMDTGXAXLOAOZ-WMZOPIPTSA-N -1 2 362.451 2.545 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)nn(CC)c1C ZINC000265995272 510347906 /nfs/dbraw/zinc/34/79/06/510347906.db2.gz BVNHSQBICUAISU-UHFFFAOYSA-N -1 2 351.428 2.581 20 0 FFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000184631492 510429133 /nfs/dbraw/zinc/42/91/33/510429133.db2.gz XXVGHJXLNYUBBO-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000390037661 512905327 /nfs/dbraw/zinc/90/53/27/512905327.db2.gz INOAHWXOLLCCTC-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cnn1C ZINC000446624245 513299097 /nfs/dbraw/zinc/29/90/97/513299097.db2.gz MXOCEKPKCJMETO-UHFFFAOYSA-N -1 2 357.457 2.587 20 0 FFADLM O=C(N=c1ccc(-c2ccccc2)n[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448364204 513742932 /nfs/dbraw/zinc/74/29/32/513742932.db2.gz FGVHRUACEFCQAT-LJQANCHMSA-N -1 2 373.460 3.540 20 0 FFADLM CCn1cc(S(=O)(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)nc1C ZINC000416478952 513793229 /nfs/dbraw/zinc/79/32/29/513793229.db2.gz GCKLGPUHTFTHBZ-UHFFFAOYSA-N -1 2 373.482 2.683 20 0 FFADLM CC(=O)c1ccc(O)c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000436881008 514017266 /nfs/dbraw/zinc/01/72/66/514017266.db2.gz QNAPSANVRZQRRK-UHFFFAOYSA-N -1 2 353.371 2.555 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000436903700 514028519 /nfs/dbraw/zinc/02/85/19/514028519.db2.gz URIKNNBNFDFUHI-UHFFFAOYSA-N -1 2 358.375 2.886 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 ZINC000444418851 514224642 /nfs/dbraw/zinc/22/46/42/514224642.db2.gz MFDRZBXYTFQTRP-UHFFFAOYSA-N -1 2 373.390 2.590 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000438774658 514440877 /nfs/dbraw/zinc/44/08/77/514440877.db2.gz FFVFYAPSKBZNCE-UHFFFAOYSA-N -1 2 363.439 2.527 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC(F)F ZINC000433491973 514504182 /nfs/dbraw/zinc/50/41/82/514504182.db2.gz RHOHFZFRYUKIQL-UHFFFAOYSA-N -1 2 373.333 2.801 20 0 FFADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C)c1 ZINC000433512982 514507307 /nfs/dbraw/zinc/50/73/07/514507307.db2.gz YAHPWOWTAQDLJA-UHFFFAOYSA-N -1 2 365.407 2.988 20 0 FFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507967808 514626363 /nfs/dbraw/zinc/62/63/63/514626363.db2.gz HZJGSBDEKRTHQL-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1c(NS(=O)(=O)c2cccnc2C(F)(F)F)cccc1C(=O)[O-] ZINC000489435102 514845186 /nfs/dbraw/zinc/84/51/86/514845186.db2.gz UVUVSYZMSMMNQP-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2sccc2C)c1OC ZINC000484961282 514856315 /nfs/dbraw/zinc/85/63/15/514856315.db2.gz FIZHNFJQNVOEAF-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM Cn1nccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000485042728 514887449 /nfs/dbraw/zinc/88/74/49/514887449.db2.gz NHVXXRJAPPSJHS-UHFFFAOYSA-N -1 2 373.390 2.711 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000467750782 515101783 /nfs/dbraw/zinc/10/17/83/515101783.db2.gz BSEVSECDHSFGHY-UHFFFAOYSA-N -1 2 365.285 2.828 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000467759781 515105816 /nfs/dbraw/zinc/10/58/16/515105816.db2.gz QOGXFCTYHFMQKA-UHFFFAOYSA-N -1 2 366.395 2.803 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc2[nH]ncc21 ZINC000499267967 515262063 /nfs/dbraw/zinc/26/20/63/515262063.db2.gz QZAFQONRDPISFC-UHFFFAOYSA-N -1 2 359.407 2.689 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1C(=O)[O-] ZINC000463784423 515614916 /nfs/dbraw/zinc/61/49/16/515614916.db2.gz SLPVIJXBZKPHSH-UHFFFAOYSA-N -1 2 366.395 2.758 20 0 FFADLM Cn1ncc2c1[n-]cc(C(=O)Nc1cc(Cl)cc(Cl)c1O)c2=O ZINC000512001905 516110725 /nfs/dbraw/zinc/11/07/25/516110725.db2.gz LVGBJOSBYQEYQJ-UHFFFAOYSA-N -1 2 353.165 2.939 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000470449967 516252447 /nfs/dbraw/zinc/25/24/47/516252447.db2.gz QXLDCUOKHACWOR-UHFFFAOYSA-N -1 2 365.285 2.828 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c([N+](=O)[O-])c1 ZINC000547547935 516401520 /nfs/dbraw/zinc/40/15/20/516401520.db2.gz GBGVCTXELTVHKJ-UHFFFAOYSA-N -1 2 350.352 2.711 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])c1 ZINC000547547094 516402280 /nfs/dbraw/zinc/40/22/80/516402280.db2.gz MNCTZKGAWFEVBX-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000547557044 516406612 /nfs/dbraw/zinc/40/66/12/516406612.db2.gz IUDWMOMZKCXPMH-UHFFFAOYSA-N -1 2 368.342 2.850 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000541303701 516976235 /nfs/dbraw/zinc/97/62/35/516976235.db2.gz DGEZJAFUEOPHKJ-LBPRGKRZSA-N -1 2 363.439 2.590 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000552029031 517038065 /nfs/dbraw/zinc/03/80/65/517038065.db2.gz QHOFDPWDRSYODJ-GFCCVEGCSA-N -1 2 363.439 2.970 20 0 FFADLM Cc1ccn(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000556342617 517378711 /nfs/dbraw/zinc/37/87/11/517378711.db2.gz XNWXTGZROMCMKK-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C)cc1F ZINC000534401668 517881267 /nfs/dbraw/zinc/88/12/67/517881267.db2.gz VBDJSZYQKFCYHA-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM C[N@@H+]1CC[C@H](NS(=O)(=O)c2cscn2)[C@H]1c1ccc(Cl)cc1 ZINC000572873740 518402981 /nfs/dbraw/zinc/40/29/81/518402981.db2.gz DQGGYXZZYCLPGT-GXTWGEPZSA-N -1 2 357.888 2.520 20 0 FFADLM C[C@H](C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000579807078 518862506 /nfs/dbraw/zinc/86/25/06/518862506.db2.gz OGDRKSSQIRPZKD-FRRDWIJNSA-N -1 2 361.877 2.757 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1-c1ccccc1 ZINC000570982030 518870302 /nfs/dbraw/zinc/87/03/02/518870302.db2.gz JXZXRXZUOIOCQV-UHFFFAOYSA-N -1 2 371.418 2.609 20 0 FFADLM CC(C)(C)c1nc(=NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)s[nH]1 ZINC000583815641 519449892 /nfs/dbraw/zinc/44/98/92/519449892.db2.gz UYTSRYMHOJPTTJ-UHFFFAOYSA-N -1 2 357.439 2.754 20 0 FFADLM Cc1ccc2c([n-]cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)[nH+]1 ZINC000612004943 521430908 /nfs/dbraw/zinc/43/09/08/521430908.db2.gz YEADMVUPVAGGAQ-INIZCTEOSA-N -1 2 362.433 2.648 20 0 FFADLM Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)c2=O ZINC000612004943 521430912 /nfs/dbraw/zinc/43/09/12/521430912.db2.gz YEADMVUPVAGGAQ-INIZCTEOSA-N -1 2 362.433 2.648 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)sc1C(=O)[O-] ZINC000323900397 599876108 /nfs/dbraw/zinc/87/61/08/599876108.db2.gz PKTXVJWVKOYHJG-UHFFFAOYSA-N -1 2 369.420 2.717 20 0 FFADLM COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)c1C ZINC000737712235 599905075 /nfs/dbraw/zinc/90/50/75/599905075.db2.gz GPSUOBAVJQTNAK-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1C ZINC000736161427 600634052 /nfs/dbraw/zinc/63/40/52/600634052.db2.gz QXOCQEVWZICKCJ-UHFFFAOYSA-N -1 2 368.436 2.822 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000826917686 600687452 /nfs/dbraw/zinc/68/74/52/600687452.db2.gz HQXCDJMSLOITSY-UHFFFAOYSA-N -1 2 357.819 2.692 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)cc1C(=O)[O-] ZINC000833055639 600830369 /nfs/dbraw/zinc/83/03/69/600830369.db2.gz LGCWKAYDDZFHMC-UHFFFAOYSA-N -1 2 373.390 2.711 20 0 FFADLM Cc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000097992096 600831295 /nfs/dbraw/zinc/83/12/95/600831295.db2.gz MXFCGAOPSBKSKN-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c[nH]1 ZINC000833306404 600978450 /nfs/dbraw/zinc/97/84/50/600978450.db2.gz QNRQKHDWHJRZLB-UHFFFAOYSA-N -1 2 363.420 2.561 20 0 FFADLM O=C([O-])[C@@H](NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000833168037 601281583 /nfs/dbraw/zinc/28/15/83/601281583.db2.gz SLARFZKYANPZHX-ZETCQYMHSA-N -1 2 358.085 2.591 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nnc(C(C)C)s2)c1C ZINC000832866186 601504015 /nfs/dbraw/zinc/50/40/15/601504015.db2.gz IGPRWYUQVJEHNK-UHFFFAOYSA-N -1 2 355.441 2.777 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(Cl)cc1F ZINC000728509711 601840194 /nfs/dbraw/zinc/84/01/94/601840194.db2.gz SGITVHSTXOEMBQ-UHFFFAOYSA-N -1 2 371.777 2.646 20 0 FFADLM O=C([O-])N1CCc2c1cccc2NS(=O)(=O)c1cc(F)ccc1F ZINC000832080494 604015033 /nfs/dbraw/zinc/01/50/33/604015033.db2.gz XDRPWYVZLCMDKX-UHFFFAOYSA-N -1 2 354.334 2.806 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000833747715 605013466 /nfs/dbraw/zinc/01/34/66/605013466.db2.gz GFAZGKDGOQIVPX-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000833494282 605167412 /nfs/dbraw/zinc/16/74/12/605167412.db2.gz LUUACNJQTJWEAI-UHFFFAOYSA-N -1 2 357.819 2.692 20 0 FFADLM C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821593970 607058635 /nfs/dbraw/zinc/05/86/35/607058635.db2.gz RXSKJBVCZIVKMK-UHFFFAOYSA-N -1 2 374.807 2.730 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1O ZINC000745997661 735456752 /nfs/dbraw/zinc/45/67/52/735456752.db2.gz HUVCZMLNMYEXKK-UHFFFAOYSA-N -1 2 363.178 2.593 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000055587061 728097562 /nfs/dbraw/zinc/09/75/62/728097562.db2.gz HJWUKFQJHULPBW-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM Cc1cc(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)cn2cc[nH+]c12 ZINC000906065075 736449723 /nfs/dbraw/zinc/44/97/23/736449723.db2.gz AZPNLQXNSSIBDD-QHCPKHFHSA-N -1 2 370.500 2.730 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3oc(CO)cc3c2)sc1C(=O)[O-] ZINC000647918979 730773223 /nfs/dbraw/zinc/77/32/23/730773223.db2.gz GGMDYPQPYJVFFX-UHFFFAOYSA-N -1 2 367.404 2.794 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3c2OCO3)c1Cl ZINC000782261479 738703846 /nfs/dbraw/zinc/70/38/46/738703846.db2.gz MBNWEYYAZXPVGF-UHFFFAOYSA-N -1 2 369.782 2.876 20 0 FFADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1F)OCO2 ZINC000673901318 733657860 /nfs/dbraw/zinc/65/78/60/733657860.db2.gz UXHQMTXHHQTPAG-UHFFFAOYSA-N -1 2 373.745 2.707 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1C(=O)[O-] ZINC000682896774 734107770 /nfs/dbraw/zinc/10/77/70/734107770.db2.gz ROINXDVTOOGMJD-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000904053806 736212670 /nfs/dbraw/zinc/21/26/70/736212670.db2.gz WUFLMZQBRMKZKO-NSHDSACASA-N -1 2 374.340 2.846 20 0 FFADLM COc1cnc([C@@H]2CCC[N@H+]2C[C@@H](O)Cc2cccc(Cl)c2)[nH]c1=O ZINC000934279979 739759026 /nfs/dbraw/zinc/75/90/26/739759026.db2.gz RBXIUEZTLADZIZ-GJZGRUSLSA-N -1 2 363.845 2.585 20 0 FFADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000793364545 739774404 /nfs/dbraw/zinc/77/44/04/739774404.db2.gz WURYRMHAIGMKHS-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000324620282 971139750 /nfs/dbraw/zinc/13/97/50/971139750.db2.gz CEBKWQNZFSLIJG-UHFFFAOYSA-N -1 2 365.392 2.661 20 0 FFADLM Cc1cc(C(=O)Nc2ccccc2NC2CCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000652788682 967394593 /nfs/dbraw/zinc/39/45/93/967394593.db2.gz JFDYVWGUROSJFN-UHFFFAOYSA-N -1 2 365.393 2.961 20 0 FFADLM CC(C)n1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cn1 ZINC000320210092 970630020 /nfs/dbraw/zinc/63/00/20/970630020.db2.gz XOEJWICFWZQNLU-UHFFFAOYSA-N -1 2 361.782 2.756 20 0 FFADLM CCc1cc(C(=O)[O-])c(NS(=O)(=O)c2cc(OC)ccc2OC)s1 ZINC001597446109 987822058 /nfs/dbraw/zinc/82/20/58/987822058.db2.gz YKNLWYSVBNAMHH-UHFFFAOYSA-N -1 2 371.436 2.827 20 0 FFADLM CCn1ncc2ccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc21 ZINC001597963333 990000350 /nfs/dbraw/zinc/00/03/50/990000350.db2.gz ZFFMHAZRMQPDDZ-UHFFFAOYSA-N -1 2 363.395 2.765 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c(F)c1 ZINC001599618057 994043699 /nfs/dbraw/zinc/04/36/99/994043699.db2.gz XJFCOGHILRZNNR-UHFFFAOYSA-N -1 2 374.415 2.913 20 0 FFADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC001195234346 1004913025 /nfs/dbraw/zinc/91/30/25/1004913025.db2.gz IBWVILQAGWBLKZ-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CCOC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001195483374 1004973965 /nfs/dbraw/zinc/97/39/65/1004973965.db2.gz CHHLVYGFBKSNHU-UHFFFAOYSA-N -1 2 356.879 2.535 20 0 FFADLM C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201276164 1005193385 /nfs/dbraw/zinc/19/33/85/1005193385.db2.gz IQDUVIFULKAYEP-SECBINFHSA-N -1 2 355.262 2.895 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn3cc(F)ccc23)ccc1Cl ZINC001188282433 1006501412 /nfs/dbraw/zinc/50/14/12/1006501412.db2.gz NZVMHUHTHAVGGA-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM CC(=O)c1cccc(O)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188314616 1006507980 /nfs/dbraw/zinc/50/79/80/1006507980.db2.gz RNEXYQHBLKRHLS-UHFFFAOYSA-N -1 2 369.782 2.747 20 0 FFADLM Cc1nc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c(C)c(=O)[nH]1 ZINC001229692146 1036834328 /nfs/dbraw/zinc/83/43/28/1036834328.db2.gz VPEMGGWLXHBBHR-LLVKDONJSA-N -1 2 354.863 2.952 20 0 FFADLM O=S(=O)([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001259511187 1040077166 /nfs/dbraw/zinc/07/71/66/1040077166.db2.gz KSPAWTABFQUXAP-UHFFFAOYSA-N -1 2 365.791 2.527 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc3ncoc32)cc1 ZINC001260229100 1040477297 /nfs/dbraw/zinc/47/72/97/1040477297.db2.gz PTFSQCOTWZWEDH-UHFFFAOYSA-N -1 2 352.755 2.980 20 0 FFADLM CCc1nnc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)s1 ZINC001260866526 1040857927 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369.830 2.758 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000045713046 507006849 /nfs/dbraw/zinc/00/68/49/507006849.db2.gz XBPBUXHOOLRCMV-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045945810 507050841 /nfs/dbraw/zinc/05/08/41/507050841.db2.gz ZTFIBPVVQZTLJK-UHFFFAOYSA-N -1 2 354.409 2.514 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000160182174 508950635 /nfs/dbraw/zinc/95/06/35/508950635.db2.gz IUCAYYWWMDSDLH-UHFFFAOYSA-N -1 2 357.457 2.861 20 0 FFADLM Cc1ccc(-n2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191898916 509235628 /nfs/dbraw/zinc/23/56/28/509235628.db2.gz PNEIVSBVDQABHB-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCn1nc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1C1CC1 ZINC000267488880 509512695 /nfs/dbraw/zinc/51/26/95/509512695.db2.gz CFVSXBCMNBILKD-UHFFFAOYSA-N -1 2 371.365 2.558 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)s1 ZINC000268236420 509828822 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Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000510110486 515438034 /nfs/dbraw/zinc/43/80/34/515438034.db2.gz USSHDZQAHKUXRE-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCOc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc(Br)c1O ZINC000459303435 515458416 /nfs/dbraw/zinc/45/84/16/515458416.db2.gz KUYDRHNCKOOGIM-UHFFFAOYSA-N -1 2 373.291 2.900 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000544098367 516579614 /nfs/dbraw/zinc/57/96/14/516579614.db2.gz KSKDKRXHWBIGQP-LLVKDONJSA-N -1 2 365.407 2.780 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2sc(C)nc2C)c(C(=O)[O-])c1 ZINC000547938815 516645408 /nfs/dbraw/zinc/64/54/08/516645408.db2.gz KOANBUXEABYFPO-UHFFFAOYSA-N -1 2 356.425 2.576 20 0 FFADLM O=C([O-])[C@@H]1c2ccoc2CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000530165143 517603717 /nfs/dbraw/zinc/60/37/17/517603717.db2.gz DSOBDDNLRULOGB-PXNSSMCTSA-N -1 2 370.449 2.555 20 0 FFADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000543022124 517867778 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Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)ccc1C(=O)[O-] ZINC000832904635 600977010 /nfs/dbraw/zinc/97/70/10/600977010.db2.gz WIKZEZAFAQJRIK-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000391968599 601358397 /nfs/dbraw/zinc/35/83/97/601358397.db2.gz QSYIBOJELCGRQQ-UHFFFAOYSA-N -1 2 370.452 2.948 20 0 FFADLM COc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832264489 601382998 /nfs/dbraw/zinc/38/29/98/601382998.db2.gz DTMVCJZGWDIWLX-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000829373136 601501854 /nfs/dbraw/zinc/50/18/54/601501854.db2.gz HCDSMUNAJPFQAJ-UHFFFAOYSA-N -1 2 373.431 2.909 20 0 FFADLM O=C([O-])c1nscc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000833346852 601603261 /nfs/dbraw/zinc/60/32/61/601603261.db2.gz PZTNMJORZQBORP-UHFFFAOYSA-N -1 2 352.315 2.661 20 0 FFADLM Cc1c2nc(NS(=O)(=O)c3csnc3C(=O)[O-])sc2ccc1F ZINC000832854529 601627908 /nfs/dbraw/zinc/62/79/08/601627908.db2.gz LKMBYPPIZKHGCP-UHFFFAOYSA-N -1 2 373.412 2.699 20 0 FFADLM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cn[nH]c1-c1ccccc1F ZINC000811684512 601776297 /nfs/dbraw/zinc/77/62/97/601776297.db2.gz MPBKQGHINQYEJM-MRXNPFEDSA-N -1 2 353.353 2.642 20 0 FFADLM C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C(=O)[O-] ZINC000828386403 601801136 /nfs/dbraw/zinc/80/11/36/601801136.db2.gz NAAVQCSVSSMFJJ-RCOVLWMOSA-N -1 2 362.607 2.601 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1C(=O)[O-] ZINC000832956467 602101745 /nfs/dbraw/zinc/10/17/45/602101745.db2.gz CSINKFBLOIYVLW-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])[nH]n1 ZINC000829217042 602102457 /nfs/dbraw/zinc/10/24/57/602102457.db2.gz XJXIBZJXWNNTOP-SECBINFHSA-N -1 2 355.391 2.951 20 0 FFADLM CCCc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000829566102 602104272 /nfs/dbraw/zinc/10/42/72/602104272.db2.gz DZOWCIOXELNKQW-UHFFFAOYSA-N -1 2 369.468 2.699 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000831852042 602119797 /nfs/dbraw/zinc/11/97/97/602119797.db2.gz OEQMTUMICRKFAQ-QPJJXVBHSA-N -1 2 369.345 2.872 20 0 FFADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c1 ZINC000828580220 604775435 /nfs/dbraw/zinc/77/54/35/604775435.db2.gz CQSBDGGOMUBVHN-UHFFFAOYSA-N -1 2 354.409 2.543 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1C(=O)[O-] ZINC000833734630 604947292 /nfs/dbraw/zinc/94/72/92/604947292.db2.gz QKONRDSYKVWSDF-UHFFFAOYSA-N -1 2 373.390 2.584 20 0 FFADLM CC(=O)N(C)c1ccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC000833388064 605125821 /nfs/dbraw/zinc/12/58/21/605125821.db2.gz GTQUJRSWBIFLTL-UHFFFAOYSA-N -1 2 368.436 2.538 20 0 FFADLM CCc1csc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC000833676622 605182220 /nfs/dbraw/zinc/18/22/20/605182220.db2.gz PCZSHFDHDLPUHC-UHFFFAOYSA-N -1 2 363.420 2.753 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 ZINC000090166686 728449733 /nfs/dbraw/zinc/44/97/33/728449733.db2.gz RGLJYVDICMIJTC-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM Cc1c(NS(=O)(=O)c2c(Cl)nc3ccccn32)cccc1C(=O)[O-] ZINC000193619210 729484920 /nfs/dbraw/zinc/48/49/20/729484920.db2.gz UZKBICNMHMTEGB-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000324769171 729757494 /nfs/dbraw/zinc/75/74/94/729757494.db2.gz BXIGPEJVRYEYNT-UHFFFAOYSA-N -1 2 356.375 2.545 20 0 FFADLM COc1cc(S(=O)(=O)Nc2cccc(C)c2O)c(Cl)cc1C(=O)[O-] ZINC000674755471 733730666 /nfs/dbraw/zinc/73/06/66/733730666.db2.gz ZGSJBLUCHVXPMS-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CC(C)C ZINC000677417395 733944218 /nfs/dbraw/zinc/94/42/18/733944218.db2.gz AYFNCEKMKINHOY-UHFFFAOYSA-N -1 2 369.418 2.740 20 0 FFADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753775409 736093658 /nfs/dbraw/zinc/09/36/58/736093658.db2.gz VBYBJPQWSYOEQE-UHFFFAOYSA-N -1 2 353.371 2.950 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1C(=O)[O-] ZINC000753775163 736093768 /nfs/dbraw/zinc/09/37/68/736093768.db2.gz RNNVRVCYINWRNW-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(OCCF)c2)cc1C(=O)[O-] ZINC000753781487 736094101 /nfs/dbraw/zinc/09/41/01/736094101.db2.gz AYFMTNZDFNKXNU-UHFFFAOYSA-N -1 2 371.361 2.981 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc(Cl)c1F ZINC000766371373 737223518 /nfs/dbraw/zinc/22/35/18/737223518.db2.gz XKAUEAWPUUHZCH-UHFFFAOYSA-N -1 2 369.708 2.570 20 0 FFADLM COc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000766576076 737243652 /nfs/dbraw/zinc/24/36/52/737243652.db2.gz BDTLDOWXDZPMTD-UHFFFAOYSA-N -1 2 353.371 2.950 20 0 FFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794774373 739928736 /nfs/dbraw/zinc/92/87/36/739928736.db2.gz FOZXBFNLSAYOLX-QPUJVOFHSA-N -1 2 357.394 2.526 20 0 FFADLM CN1CCCc2ccc(S(=O)(=O)Nc3sccc3C(=O)[O-])cc21 ZINC000833697768 745792149 /nfs/dbraw/zinc/79/21/49/745792149.db2.gz RMURCORJSYHEHM-UHFFFAOYSA-N -1 2 352.437 2.630 20 0 FFADLM CCOc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1OC ZINC000320918867 970729291 /nfs/dbraw/zinc/72/92/91/970729291.db2.gz DXKNIGOEXPTLQR-UHFFFAOYSA-N -1 2 357.409 2.654 20 0 FFADLM CCCCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)[nH]n1 ZINC001595793855 982597121 /nfs/dbraw/zinc/59/71/21/982597121.db2.gz QBCNIWHCWPLONY-UHFFFAOYSA-N -1 2 355.391 2.699 20 0 FFADLM CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC001594717387 987194574 /nfs/dbraw/zinc/19/45/74/987194574.db2.gz WTRFBNLLAOAHTJ-UHFFFAOYSA-N -1 2 368.798 2.827 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1CC ZINC001597562756 988309147 /nfs/dbraw/zinc/30/91/47/988309147.db2.gz OTNOJHKXKVQYKN-UHFFFAOYSA-N -1 2 354.453 2.696 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001597939277 989917820 /nfs/dbraw/zinc/91/78/20/989917820.db2.gz PBDMYOWUEWZWRE-UHFFFAOYSA-N -1 2 374.422 2.567 20 0 FFADLM COC(=O)[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001598692603 995088759 /nfs/dbraw/zinc/08/87/59/995088759.db2.gz QTWVADBROZRCAQ-VIFPVBQESA-N -1 2 369.420 2.524 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(F)(F)F)cs1 ZINC001185871168 1003089108 /nfs/dbraw/zinc/08/91/08/1003089108.db2.gz LVWZNWWADGEMGK-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM COc1nc(Cl)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192113180 1004056693 /nfs/dbraw/zinc/05/66/93/1004056693.db2.gz KJDNTICUXVWQLL-UHFFFAOYSA-N -1 2 370.814 2.562 20 0 FFADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2cccnc2)ccn1 ZINC001198738616 1004717493 /nfs/dbraw/zinc/71/74/93/1004717493.db2.gz BDYMOGNEHLZXAP-UHFFFAOYSA-N -1 2 355.375 2.643 20 0 FFADLM Cc1cnn(-c2ccc(C)cc2)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747008 1004721972 /nfs/dbraw/zinc/72/19/72/1004721972.db2.gz QKVWFKSPFZASHO-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1cnc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195194987 1004914568 /nfs/dbraw/zinc/91/45/68/1004914568.db2.gz NBGYEXUEGSJPAC-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc(Cl)n1 ZINC001195202076 1004915418 /nfs/dbraw/zinc/91/54/18/1004915418.db2.gz MOUKBYRXZBOBAN-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM Cn1cc2c(cccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001187582498 1006164203 /nfs/dbraw/zinc/16/42/03/1006164203.db2.gz SSJQAAQAFCJELC-UHFFFAOYSA-N -1 2 365.798 2.726 20 0 FFADLM COc1cccc(O)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188314533 1006508998 /nfs/dbraw/zinc/50/89/98/1006508998.db2.gz OJEYCBJQTFMMKD-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000795068683 1011711536 /nfs/dbraw/zinc/71/15/36/1011711536.db2.gz SMZFWAFXEZIYGT-UHFFFAOYSA-N -1 2 374.784 2.602 20 0 FFADLM Cc1c(O)ccc2c(C[N@@H+]3CCOc4ccccc4[C@H]3CO)cc(=O)oc12 ZINC000933388539 1021004276 /nfs/dbraw/zinc/00/42/76/1021004276.db2.gz UFEYIBVPFUMNQC-QGZVFWFLSA-N -1 2 367.401 2.735 20 0 FFADLM O=C([O-])c1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1N1CCCCC1 ZINC000841502026 1030320126 /nfs/dbraw/zinc/32/01/26/1030320126.db2.gz SZPCBERCLJRYKZ-UHFFFAOYSA-N -1 2 365.393 2.899 20 0 FFADLM Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc2c(cnn2C)c(=O)[nH]1 ZINC001166524631 1030432930 /nfs/dbraw/zinc/43/29/30/1030432930.db2.gz SEJYUIQOKAJLCT-UHFFFAOYSA-N -1 2 352.423 2.855 20 0 FFADLM C[C@@H]1[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335897 1036990162 /nfs/dbraw/zinc/99/01/62/1036990162.db2.gz NJIRAAUCCAIVMY-ZWNOBZJWSA-N -1 2 359.315 2.545 20 0 FFADLM C[C@@H]1[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335897 1036990172 /nfs/dbraw/zinc/99/01/72/1036990172.db2.gz NJIRAAUCCAIVMY-ZWNOBZJWSA-N -1 2 359.315 2.545 20 0 FFADLM O=c1c(-c2ccc(OC3CC3)c(S(=O)(=O)[O-])c2)coc2cc(O)ccc12 ZINC001230179617 1037131279 /nfs/dbraw/zinc/13/12/79/1037131279.db2.gz UXYKNCOWKWBYGY-UHFFFAOYSA-N -1 2 374.370 2.954 20 0 FFADLM O=S(=O)([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC001259511398 1040076631 /nfs/dbraw/zinc/07/66/31/1040076631.db2.gz BYTPPQGKIFLPIL-UHFFFAOYSA-N -1 2 365.791 2.527 20 0 FFADLM COc1ccc(Cn2cc(-c3ccc([P@@](=O)([O-])O)cc3)c(C)n2)cc1 ZINC001240657856 1044407163 /nfs/dbraw/zinc/40/71/63/1044407163.db2.gz WETAYMIWPWWIGB-UHFFFAOYSA-N -1 2 358.334 2.718 20 0 FFADLM COc1ccc(Cn2cc(-c3ccc([P@](=O)([O-])O)cc3)c(C)n2)cc1 ZINC001240657856 1044407165 /nfs/dbraw/zinc/40/71/65/1044407165.db2.gz WETAYMIWPWWIGB-UHFFFAOYSA-N -1 2 358.334 2.718 20 0 FFADLM CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001339274528 1056277782 /nfs/dbraw/zinc/27/77/82/1056277782.db2.gz MAZWXLRUHSPUNW-LBPRGKRZSA-N -1 2 359.821 2.784 20 0 FFADLM COc1cc(C)c(C)cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC001453308738 1059356525 /nfs/dbraw/zinc/35/65/25/1059356525.db2.gz ZJZICRJKFKEYET-UHFFFAOYSA-N -1 2 354.366 2.622 20 0 FFADLM O=S(=O)(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1c(F)cccc1F ZINC001464356322 1062565186 /nfs/dbraw/zinc/56/51/86/1062565186.db2.gz FGNVQEKEFKXJCX-INIZCTEOSA-N -1 2 363.389 2.881 20 0 FFADLM CC(C)(C)Cc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC001589793365 1080747278 /nfs/dbraw/zinc/74/72/78/1080747278.db2.gz RSLHQDOKGOATTI-UHFFFAOYSA-N -1 2 373.818 2.811 20 0 FFADLM C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cscc2-c2nn[nH]n2)CC1 ZINC001590054378 1080982612 /nfs/dbraw/zinc/98/26/12/1080982612.db2.gz RPZLWNHBEMNNTI-LLVKDONJSA-N -1 2 374.495 2.509 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000055582549 506788093 /nfs/dbraw/zinc/78/80/93/506788093.db2.gz LYBQDQBLFKRGKG-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055617858 506799916 /nfs/dbraw/zinc/79/99/16/506799916.db2.gz VFRVVOVTAUOZBI-UHFFFAOYSA-N -1 2 350.396 2.713 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000014097451 506965260 /nfs/dbraw/zinc/96/52/60/506965260.db2.gz SFYWDNXDVPFJBP-UHFFFAOYSA-N -1 2 366.420 2.596 20 0 FFADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000134612230 508551140 /nfs/dbraw/zinc/55/11/40/508551140.db2.gz IEYROPPWWKNHRP-UHFFFAOYSA-N -1 2 371.846 2.590 20 0 FFADLM COc1ccc(F)cc1C[NH+]1CCN([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192523828 509545953 /nfs/dbraw/zinc/54/59/53/509545953.db2.gz GEAGTVZFZABPJC-AWEZNQCLSA-N -1 2 360.433 2.517 20 0 FFADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc21 ZINC000195328455 510786570 /nfs/dbraw/zinc/78/65/70/510786570.db2.gz JVMDUHRZIOWVQZ-UHFFFAOYSA-N -1 2 351.409 2.617 20 0 FFADLM O=C(NN1CCCCC1=O)c1csc(Nc2cc(F)cc(F)c2)n1 ZINC000294774030 511173233 /nfs/dbraw/zinc/17/32/33/511173233.db2.gz CDMJSGNWMCSYQD-UHFFFAOYSA-N -1 2 352.366 2.822 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000281245778 511773383 /nfs/dbraw/zinc/77/33/83/511773383.db2.gz VMQHKSUJOKGYSP-UHFFFAOYSA-N -1 2 351.428 2.605 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000324849458 511841377 /nfs/dbraw/zinc/84/13/77/511841377.db2.gz DTRXDKPRDVGVQD-UHFFFAOYSA-N -1 2 365.285 2.986 20 0 FFADLM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000325026195 511844484 /nfs/dbraw/zinc/84/44/84/511844484.db2.gz KJLUITTWSCMBLU-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000326372490 511856800 /nfs/dbraw/zinc/85/68/00/511856800.db2.gz GHAPWEVWSQFASO-UHFFFAOYSA-N -1 2 364.423 2.687 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)cn1 ZINC000285227133 512043986 /nfs/dbraw/zinc/04/39/86/512043986.db2.gz SPQKANWWUHDGSO-LLVKDONJSA-N -1 2 369.468 2.830 20 0 FFADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000377970300 512531790 /nfs/dbraw/zinc/53/17/90/512531790.db2.gz WEHPGBVVQMTZIA-UHFFFAOYSA-N -1 2 369.331 2.887 20 0 FFADLM O=C([O-])C1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000417779852 513203959 /nfs/dbraw/zinc/20/39/59/513203959.db2.gz BVYCWAQAZRKZHO-UHFFFAOYSA-N -1 2 366.830 2.609 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000436473997 513862831 /nfs/dbraw/zinc/86/28/31/513862831.db2.gz BEHZIGZHHJTYCZ-UHFFFAOYSA-N -1 2 364.423 2.643 20 0 FFADLM CC(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(O)c1 ZINC000443535203 513988811 /nfs/dbraw/zinc/98/88/11/513988811.db2.gz ZULZHJACQSXNFB-UHFFFAOYSA-N -1 2 365.407 2.894 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])nn1CC(F)(F)F ZINC000416963272 514071362 /nfs/dbraw/zinc/07/13/62/514071362.db2.gz VNUGNIJVZHXSAM-UHFFFAOYSA-N -1 2 369.752 2.914 20 0 FFADLM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2O)nn1CC(F)(F)F ZINC000416963272 514071368 /nfs/dbraw/zinc/07/13/68/514071368.db2.gz VNUGNIJVZHXSAM-UHFFFAOYSA-N -1 2 369.752 2.914 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000466286155 514597158 /nfs/dbraw/zinc/59/71/58/514597158.db2.gz FWFQBTOPBUXTID-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000498482945 514921756 /nfs/dbraw/zinc/92/17/56/514921756.db2.gz GJSKKJDSFUEKMK-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CC(C)C ZINC000499296164 515273211 /nfs/dbraw/zinc/27/32/11/515273211.db2.gz NKNJWJCEUBTXHV-UHFFFAOYSA-N -1 2 371.846 3.000 20 0 FFADLM Oc1cccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1Br ZINC000459569923 515655921 /nfs/dbraw/zinc/65/59/21/515655921.db2.gz LKMIAHWGWUXXFO-BXKDBHETSA-N -1 2 354.166 2.900 20 0 FFADLM Cc1c(NS(=O)(=O)c2cnccc2C(F)(F)F)cccc1C(=O)[O-] ZINC000479199052 516105364 /nfs/dbraw/zinc/10/53/64/516105364.db2.gz ZNRKNSDVXYRTOT-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547544208 516398909 /nfs/dbraw/zinc/39/89/09/516398909.db2.gz HFMYWWABRKFDOC-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000547550413 516403956 /nfs/dbraw/zinc/40/39/56/516403956.db2.gz UTRYGJAQEJPVAM-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000547869827 516611418 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O=C([O-])Cc1cccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 ZINC000578002816 519364853 /nfs/dbraw/zinc/36/48/53/519364853.db2.gz MOLPQUXEKVFHLS-UHFFFAOYSA-N -1 2 358.375 2.770 20 0 FFADLM Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(F)c1F ZINC000625096414 523164586 /nfs/dbraw/zinc/16/45/86/523164586.db2.gz NSTQTCHTXTVJPZ-AWEZNQCLSA-N -1 2 352.406 2.738 20 0 FFADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000736191565 600228817 /nfs/dbraw/zinc/22/88/17/600228817.db2.gz IVDFCQHZXTUEET-UHFFFAOYSA-N -1 2 355.318 2.666 20 0 FFADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000322679326 600390968 /nfs/dbraw/zinc/39/09/68/600390968.db2.gz LYPXDPJRCBADKJ-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cn1 ZINC000739911573 600674546 /nfs/dbraw/zinc/67/45/46/600674546.db2.gz CTAZDIXTWIVLEA-UHFFFAOYSA-N -1 2 373.390 2.561 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1C(=O)[O-] ZINC000832956680 600828613 /nfs/dbraw/zinc/82/86/13/600828613.db2.gz 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356.743 2.747 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000126861261 509139098 /nfs/dbraw/zinc/13/90/98/509139098.db2.gz OPXCJTZZQJRJMP-UHFFFAOYSA-N -1 2 350.396 2.976 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1 ZINC000156323388 509160050 /nfs/dbraw/zinc/16/00/50/509160050.db2.gz YIEVBNFQKZBIQH-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000266087476 510402427 /nfs/dbraw/zinc/40/24/27/510402427.db2.gz PFSPHLYAQWEKBC-UHFFFAOYSA-N -1 2 355.441 2.685 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000181660592 510526285 /nfs/dbraw/zinc/52/62/85/510526285.db2.gz MLSXXHJPOQTDMH-UHFFFAOYSA-N -1 2 351.428 2.655 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000181701841 510547192 /nfs/dbraw/zinc/54/71/92/510547192.db2.gz FVFBGJWMWHQDMO-UHFFFAOYSA-N -1 2 365.455 2.963 20 0 FFADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c1 ZINC000296221274 511661495 /nfs/dbraw/zinc/66/14/95/511661495.db2.gz WXBZTSACJFPNIY-AWEZNQCLSA-N -1 2 355.847 2.941 20 0 FFADLM CCn1nccc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000274890848 511978040 /nfs/dbraw/zinc/97/80/40/511978040.db2.gz FXSWDKDDQAZHMC-UHFFFAOYSA-N -1 2 369.468 2.579 20 0 FFADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2)o1 ZINC000370269748 512851180 /nfs/dbraw/zinc/85/11/80/512851180.db2.gz VORJSAPJGMVXRG-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM CN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000376520176 512854934 /nfs/dbraw/zinc/85/49/34/512854934.db2.gz WWULZLGYLFQTCG-UHFFFAOYSA-N -1 2 371.347 2.704 20 0 FFADLM Cc1cc(=NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]nc1C ZINC000376808421 512994920 /nfs/dbraw/zinc/99/49/20/512994920.db2.gz MWHYVSNWSFUYSL-OAQYLSRUSA-N -1 2 365.481 3.223 20 0 FFADLM CC(=O)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1O ZINC000412341771 513045412 /nfs/dbraw/zinc/04/54/12/513045412.db2.gz OPEGOFAGFFKXAN-SFHVURJKSA-N -1 2 352.434 2.594 20 0 FFADLM C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cc(Cl)c3O)[C@@H]2C1 ZINC000425329619 513516452 /nfs/dbraw/zinc/51/64/52/513516452.db2.gz WCAWGLIWRGGAHX-TVQRCGJNSA-N -1 2 373.678 2.974 20 0 FFADLM CC[N@H+](CCNS(=O)(=O)c1sccc1Cl)CCC(F)(F)F ZINC000451468006 513766576 /nfs/dbraw/zinc/76/65/76/513766576.db2.gz QNOLYHOHZONRIO-UHFFFAOYSA-N -1 2 364.842 2.954 20 0 FFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000436169615 513782223 /nfs/dbraw/zinc/78/22/23/513782223.db2.gz HLCDQDPWZXGCFA-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1nn(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])c1C(F)F ZINC000414161632 513994696 /nfs/dbraw/zinc/99/46/96/513994696.db2.gz FWAZCRPELRFSGN-UHFFFAOYSA-N -1 2 373.381 2.782 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(Cl)cc1F ZINC000436993969 514067196 /nfs/dbraw/zinc/06/71/96/514067196.db2.gz JLSMFROFAPFCOC-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM NC(=O)c1cc([NH+]2CCCCC2)ccc1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000417008596 514113321 /nfs/dbraw/zinc/11/33/21/514113321.db2.gz WMVXCSWKHDSSTN-UHFFFAOYSA-N -1 2 367.453 2.761 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1F ZINC000484974381 514861166 /nfs/dbraw/zinc/86/11/66/514861166.db2.gz LTEXYOQNQGYJNQ-UHFFFAOYSA-N -1 2 367.398 2.961 20 0 FFADLM C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000462264496 514964636 /nfs/dbraw/zinc/96/46/36/514964636.db2.gz ACHRZHBOIYEMIS-UKRRQHHQSA-N -1 2 373.526 2.900 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509660774 515280566 /nfs/dbraw/zinc/28/05/66/515280566.db2.gz FSLZNPVDVPOUPO-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000478677573 515921648 /nfs/dbraw/zinc/92/16/48/515921648.db2.gz RXGNJPHNWLWQCK-MRVPVSSYSA-N -1 2 355.441 2.859 20 0 FFADLM Cc1ccn2ncc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)c2c1 ZINC000501269015 516037425 /nfs/dbraw/zinc/03/74/25/516037425.db2.gz MOJGAUZQJNMYPA-UHFFFAOYSA-N -1 2 354.320 2.958 20 0 FFADLM COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000523186625 516406218 /nfs/dbraw/zinc/40/62/18/516406218.db2.gz NUMGAGMTJNVPRM-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000547639728 516456700 /nfs/dbraw/zinc/45/67/00/516456700.db2.gz VXNVBBPWHXBJQY-SNVBAGLBSA-N -1 2 373.381 2.527 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2[nH]ncc2c(C)c1 ZINC000535747173 516484464 /nfs/dbraw/zinc/48/44/64/516484464.db2.gz UZTCGDJWXUBDGQ-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000555206182 516828554 /nfs/dbraw/zinc/82/85/54/516828554.db2.gz LAJLKJMDMZPFBD-UHFFFAOYSA-N -1 2 369.420 2.854 20 0 FFADLM C[NH+](C)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000548528252 517036667 /nfs/dbraw/zinc/03/66/67/517036667.db2.gz IEQBWQVPGSLQJA-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2ccc(Br)cn2)cc1C(=O)[O-] ZINC000548528104 517037128 /nfs/dbraw/zinc/03/71/28/517037128.db2.gz BUYZOMJCQUMQJJ-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM CSc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000539399199 518027107 /nfs/dbraw/zinc/02/71/07/518027107.db2.gz JCAFWQQOKKRGSN-UHFFFAOYSA-N -1 2 353.421 2.922 20 0 FFADLM O=C(c1cc(Br)c(F)cc1O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584272235 518256082 /nfs/dbraw/zinc/25/60/82/518256082.db2.gz JNLZLKYNFSEHHS-SNVBAGLBSA-N -1 2 357.223 2.604 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000740270799 600055558 /nfs/dbraw/zinc/05/55/58/600055558.db2.gz FKMRBAQTUHIXDI-UHFFFAOYSA-N -1 2 358.466 2.973 20 0 FFADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 ZINC000833274574 600670509 /nfs/dbraw/zinc/67/05/09/600670509.db2.gz DSSHIHUKQBJTHM-UHFFFAOYSA-N -1 2 373.390 2.561 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c(F)cc1F ZINC000740088440 600784571 /nfs/dbraw/zinc/78/45/71/600784571.db2.gz WIGTYNUILVISAQ-UHFFFAOYSA-N -1 2 367.251 2.881 20 0 FFADLM Cc1oc(CN(C)C(=O)c2c[nH]c3c(C)cccc3c2=O)cc1C(=O)[O-] ZINC000738966811 600940529 /nfs/dbraw/zinc/94/05/29/600940529.db2.gz IUOULSLXKXHBJO-UHFFFAOYSA-N -1 2 354.362 2.708 20 0 FFADLM COc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832572620 601362772 /nfs/dbraw/zinc/36/27/72/601362772.db2.gz GHSXKZOBJFAOCM-UHFFFAOYSA-N -1 2 370.452 2.948 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000829439665 601502243 /nfs/dbraw/zinc/50/22/43/601502243.db2.gz BUSYPQSDNLUZEC-UHFFFAOYSA-N -1 2 355.441 2.688 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000833346410 601829651 /nfs/dbraw/zinc/82/96/51/601829651.db2.gz OXULQCSSJWSKSX-UHFFFAOYSA-N -1 2 366.392 2.957 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000833345710 601832787 /nfs/dbraw/zinc/83/27/87/601832787.db2.gz VYOXMOADPPYIKZ-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3csnc3C(=O)[O-])c2)o1 ZINC000832985198 601841201 /nfs/dbraw/zinc/84/12/01/601841201.db2.gz GYXRBTGAWWXPGV-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cnc1Cl ZINC000832899910 601854318 /nfs/dbraw/zinc/85/43/18/601854318.db2.gz VBZBWOQJWGEXLM-UHFFFAOYSA-N -1 2 362.194 2.591 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1C(=O)[O-] ZINC000832468384 602307767 /nfs/dbraw/zinc/30/77/67/602307767.db2.gz AYCMRMATBNBKQC-UHFFFAOYSA-N -1 2 365.411 2.575 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740242494 602869498 /nfs/dbraw/zinc/86/94/98/602869498.db2.gz JJCDIXLLTMPXMZ-UHFFFAOYSA-N -1 2 366.443 2.649 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000833244098 604626433 /nfs/dbraw/zinc/62/64/33/604626433.db2.gz RKFGWCSBRLPKBI-UHFFFAOYSA-N -1 2 364.807 2.754 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(OCCNC(=O)[O-])cc2)sc1C ZINC000833902304 606079453 /nfs/dbraw/zinc/07/94/53/606079453.db2.gz XHYPBGHOXPFYLQ-UHFFFAOYSA-N -1 2 370.452 2.812 20 0 FFADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC000174047736 729061563 /nfs/dbraw/zinc/06/15/63/729061563.db2.gz FJZIDRIMCZYKQS-UHFFFAOYSA-N -1 2 363.370 2.694 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C(C)=O ZINC000780418608 738542025 /nfs/dbraw/zinc/54/20/25/738542025.db2.gz SBOXDHDYKRDXFS-UHFFFAOYSA-N -1 2 363.391 2.705 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749141425 735697944 /nfs/dbraw/zinc/69/79/44/735697944.db2.gz JNORTAFSMAXDGB-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000759680191 736586360 /nfs/dbraw/zinc/58/63/60/736586360.db2.gz JRKVIPXEQIKZQI-UHFFFAOYSA-N -1 2 356.787 2.556 20 0 FFADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnc(Cl)n1C ZINC000765095811 737081783 /nfs/dbraw/zinc/08/17/83/737081783.db2.gz OVBAAUIHVNIUOS-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM COc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000821106466 742589246 /nfs/dbraw/zinc/58/92/46/742589246.db2.gz JFYYDYGOOHUQJS-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000830022739 745295847 /nfs/dbraw/zinc/29/58/47/745295847.db2.gz GXWIQPGUUJERNH-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1O ZINC001594984312 951005246 /nfs/dbraw/zinc/00/52/46/951005246.db2.gz GHEAVPLSMIWCGZ-QMMMGPOBSA-N -1 2 360.179 2.763 20 0 FFADLM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC001594282144 957756861 /nfs/dbraw/zinc/75/68/61/957756861.db2.gz NPXUPQDILFKAAZ-UHFFFAOYSA-N -1 2 357.391 2.676 20 0 FFADLM C[C@@H](NC(=O)N=c1ccc(-c2ccccc2)n[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653540646 1014371058 /nfs/dbraw/zinc/37/10/58/1014371058.db2.gz OTDSIMFQZYNZJE-VHDGCEQUSA-N -1 2 368.437 2.822 20 0 FFADLM CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])n2)c1 ZINC001595006668 982924183 /nfs/dbraw/zinc/92/41/83/982924183.db2.gz ZYXXOYKKJXKWQU-GFCCVEGCSA-N -1 2 364.423 2.687 20 0 FFADLM CCCN1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)c2C1 ZINC001595915706 983018813 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CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001590526855 990138959 /nfs/dbraw/zinc/13/89/59/990138959.db2.gz LODGRDFDRZHNTM-UHFFFAOYSA-N -1 2 354.453 2.869 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC001599616497 994021857 /nfs/dbraw/zinc/02/18/57/994021857.db2.gz BVZCYXAEYJLRBO-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM COC(=O)c1cc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])ccc1C ZINC001598955911 998240744 /nfs/dbraw/zinc/24/07/44/998240744.db2.gz URADLUKCWJOFMU-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC001599377620 998513188 /nfs/dbraw/zinc/51/31/88/998513188.db2.gz HDCKVVLLAJXBHZ-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1O ZINC001594158189 998583904 /nfs/dbraw/zinc/58/39/04/998583904.db2.gz DOQWWSDMIHWTHT-HTRCEHHLSA-N -1 2 362.607 2.743 20 0 FFADLM Cn1nc(C2CCC2)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192112557 1004056153 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COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000739924538 603005453 /nfs/dbraw/zinc/00/54/53/603005453.db2.gz RQMXTFKJQLHRPG-UHFFFAOYSA-N -1 2 371.802 2.943 20 0 FFADLM Cc1ccc(F)c(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000830333159 603888380 /nfs/dbraw/zinc/88/83/80/603888380.db2.gz OJSLBCZXNWDVMR-UHFFFAOYSA-N -1 2 368.342 2.754 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c(F)c1 ZINC000830421254 603888398 /nfs/dbraw/zinc/88/83/98/603888398.db2.gz NNSKGUQVBIQUKF-UHFFFAOYSA-N -1 2 368.342 2.754 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cs1 ZINC000833305995 604801836 /nfs/dbraw/zinc/80/18/36/604801836.db2.gz BDJKGXHQNSQLIH-UHFFFAOYSA-N -1 2 366.392 2.957 20 0 FFADLM CC1(C)Cc2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])s3)ccc2O1 ZINC000833562047 605302460 /nfs/dbraw/zinc/30/24/60/605302460.db2.gz FKORRHCNMAOJPH-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM O=C([O-])N1CCC(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000834072257 605383026 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FFADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000753769295 736092813 /nfs/dbraw/zinc/09/28/13/736092813.db2.gz IGEPJZGFFBAKCI-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C ZINC000790416738 739451365 /nfs/dbraw/zinc/45/13/65/739451365.db2.gz CQGNGIIBTFSJGK-QMMMGPOBSA-N -1 2 373.381 2.940 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)c1F ZINC000795381248 740013549 /nfs/dbraw/zinc/01/35/49/740013549.db2.gz PDVIBFGYNJZGKX-VIFPVBQESA-N -1 2 371.361 2.826 20 0 FFADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000803406923 740796035 /nfs/dbraw/zinc/79/60/35/740796035.db2.gz LSVTUVNRCJKPQQ-UHFFFAOYSA-N -1 2 353.363 2.860 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000321804409 845802120 /nfs/dbraw/zinc/80/21/20/845802120.db2.gz YCCSJKMETBMFQV-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM O=C([O-])COc1cccc(NS(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000324784101 971156268 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CCc1nc(NS(=O)(=O)c2c(F)cc(C)cc2F)sc1C(=O)[O-] ZINC001597685545 988837522 /nfs/dbraw/zinc/83/75/22/988837522.db2.gz QFLJAAOJKKZHGK-UHFFFAOYSA-N -1 2 362.379 2.791 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n[nH]1 ZINC001590362632 989815716 /nfs/dbraw/zinc/81/57/16/989815716.db2.gz BZJQCXSSJNBGOG-QWHCGFSZSA-N -1 2 371.393 2.805 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[nH]n1 ZINC001590362632 989815720 /nfs/dbraw/zinc/81/57/20/989815720.db2.gz BZJQCXSSJNBGOG-QWHCGFSZSA-N -1 2 371.393 2.805 20 0 FFADLM CC(C)(C)Oc1ccccc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001590422056 989967107 /nfs/dbraw/zinc/96/71/07/989967107.db2.gz BTFGSPSNBKXILX-UHFFFAOYSA-N -1 2 350.396 2.758 20 0 FFADLM O=C(NCC[C@H]1CN(CCCn2cc[nH+]c2)c2ccccc21)C(F)(F)F ZINC000879470616 1015552282 /nfs/dbraw/zinc/55/22/82/1015552282.db2.gz PRHWNDHVMCLTRE-AWEZNQCLSA-N -1 2 366.387 2.946 20 0 FFADLM COc1ccccc1S(=O)(=O)CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001599717874 991487630 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CSc1ncc(O)c(C(=O)Nc2ccc(F)c(Br)c2[O-])n1 ZINC001185186553 1002849165 /nfs/dbraw/zinc/84/91/65/1002849165.db2.gz PGWWYXLAVJMLEB-UHFFFAOYSA-N -1 2 374.191 2.764 20 0 FFADLM [NH2+]=C(Nc1ccc(P(=O)([O-])[O-])cc1)c1ccc(Br)cc1F ZINC001170464489 1003812102 /nfs/dbraw/zinc/81/21/02/1003812102.db2.gz KEFCKYTZPXGOSS-UHFFFAOYSA-N -1 2 373.118 2.829 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n(C(C)C)n1 ZINC001192106454 1004054526 /nfs/dbraw/zinc/05/45/26/1004054526.db2.gz GREUEPNDHXGUIK-UHFFFAOYSA-N -1 2 351.428 2.590 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2CCC3=O)c(F)cc1F ZINC001195234344 1004912411 /nfs/dbraw/zinc/91/24/11/1004912411.db2.gz HYZRRHPPEKTADD-UHFFFAOYSA-N -1 2 367.329 2.593 20 0 FFADLM Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[nH+]1 ZINC001187540668 1006131972 /nfs/dbraw/zinc/13/19/72/1006131972.db2.gz ZPIRJKNDWLCJFQ-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM CN(C(=O)C(F)C(F)(F)F)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001605951198 1069717684 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369.468 2.875 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccsc3s2)ccc1F ZINC000738679482 601361229 /nfs/dbraw/zinc/36/12/29/601361229.db2.gz YCIGXGJQAIUYQZ-UHFFFAOYSA-N -1 2 358.397 2.996 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1OC(F)F ZINC000832950331 601484111 /nfs/dbraw/zinc/48/41/11/601484111.db2.gz JVRXGGYFHPLAFC-UHFFFAOYSA-N -1 2 364.351 2.552 20 0 FFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000833347716 601856244 /nfs/dbraw/zinc/85/62/44/601856244.db2.gz CSUPUNHDUKICPZ-UHFFFAOYSA-N -1 2 367.326 2.988 20 0 FFADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)[nH]n1 ZINC000829216636 602102400 /nfs/dbraw/zinc/10/24/00/602102400.db2.gz QCPYOXJZYWJJTM-JTQLQIEISA-N -1 2 367.427 2.821 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000831851989 602119731 /nfs/dbraw/zinc/11/97/31/602119731.db2.gz MORUYZYZHAECSS-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000776458793 602317649 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O=C([O-])CCc1csc(NC(=O)c2cccc(Br)c2O)n1 ZINC000833243787 604726969 /nfs/dbraw/zinc/72/69/69/604726969.db2.gz LKXRZIRRLKYWBB-UHFFFAOYSA-N -1 2 371.212 2.881 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C ZINC000829447784 604793208 /nfs/dbraw/zinc/79/32/08/604793208.db2.gz SHCRXBGFELHCGV-UHFFFAOYSA-N -1 2 355.391 2.630 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000154049579 728794895 /nfs/dbraw/zinc/79/48/95/728794895.db2.gz XSMWNTRHKJOGEW-UHFFFAOYSA-N -1 2 364.515 2.716 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000328422331 729794257 /nfs/dbraw/zinc/79/42/57/729794257.db2.gz SQUODNMBXVTLOJ-UHFFFAOYSA-N -1 2 367.427 2.605 20 0 FFADLM O=C([O-])C1(CNC(=O)c2cc(Cl)cc(Br)c2O)CCC1 ZINC000659784960 731998011 /nfs/dbraw/zinc/99/80/11/731998011.db2.gz MQEOZLACBWCXPQ-UHFFFAOYSA-N -1 2 362.607 2.793 20 0 FFADLM O=S(=O)(NN=c1c(F)c(F)[n-]c(F)c1F)c1ccc(Cl)cc1F ZINC000916102939 737678313 /nfs/dbraw/zinc/67/83/13/737678313.db2.gz 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Oc1cccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1Br ZINC000459569926 515656765 /nfs/dbraw/zinc/65/67/65/515656765.db2.gz LKMIAHWGWUXXFO-SKDRFNHKSA-N -1 2 354.166 2.900 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc3c2CCO3)c1 ZINC000478712012 515936319 /nfs/dbraw/zinc/93/63/19/515936319.db2.gz QKSLSPZPTQJQNR-UHFFFAOYSA-N -1 2 351.355 2.568 20 0 FFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000531527498 516509514 /nfs/dbraw/zinc/50/95/14/516509514.db2.gz JDIHLOOQYHTXRZ-UHFFFAOYSA-N -1 2 372.402 2.671 20 0 FFADLM Cn1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])n1 ZINC000540338554 516518136 /nfs/dbraw/zinc/51/81/36/516518136.db2.gz YMRJCFSOUDOPRI-UHFFFAOYSA-N -1 2 363.420 2.648 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1F ZINC000513463020 516635003 /nfs/dbraw/zinc/63/50/03/516635003.db2.gz IIQUPYRNICIELN-UHFFFAOYSA-N -1 2 367.398 2.961 20 0 FFADLM C[C@@H]1[C@@H](NC(=O)N=c2ccc(C3CC3)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000558201096 516645106 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Cn1cc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cn1 ZINC001196061270 1003646749 /nfs/dbraw/zinc/64/67/49/1003646749.db2.gz VJCSXQAIKAWADN-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM CSc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccn1 ZINC001195205986 1004916535 /nfs/dbraw/zinc/91/65/35/1004916535.db2.gz VLLJKTVUEWAGGP-UHFFFAOYSA-N -1 2 360.363 2.581 20 0 FFADLM CC(C)c1cncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195205639 1004916573 /nfs/dbraw/zinc/91/65/73/1004916573.db2.gz NMAYFWPVFJDVHT-UHFFFAOYSA-N -1 2 356.350 2.982 20 0 FFADLM CCOCCS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1O ZINC001187291910 1006004489 /nfs/dbraw/zinc/00/44/89/1006004489.db2.gz IBBBOLMXUVQTRQ-UHFFFAOYSA-N -1 2 358.641 2.586 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(O)c(C)cc2C)c1 ZINC000680809666 1018186326 /nfs/dbraw/zinc/18/63/26/1018186326.db2.gz KDNWOBKQSQUOBL-UHFFFAOYSA-N -1 2 353.371 2.956 20 0 FFADLM Cc1cc(C(=O)Nc2ccc3c(c2)CCCC3=O)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001143029723 1031164971 /nfs/dbraw/zinc/16/49/71/1031164971.db2.gz LANILUSOKNTGBI-UHFFFAOYSA-N -1 2 364.361 2.516 20 0 FFADLM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC001138603538 1034457158 /nfs/dbraw/zinc/45/71/58/1034457158.db2.gz WERFJMDDKNBNNO-KRWDZBQOSA-N -1 2 370.453 2.888 20 0 FFADLM O=C(C[C@H]1[C@H]2C[N@H+](Cc3ccc(O)c(F)c3F)C[C@@H]12)NCc1ccco1 ZINC001140890937 1036390684 /nfs/dbraw/zinc/39/06/84/1036390684.db2.gz PTAFXUVRZLRACR-QDMKHBRRSA-N -1 2 362.376 2.648 20 0 FFADLM C[C@@H](C[NH+](C)C)Oc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12 ZINC001233576336 1036686677 /nfs/dbraw/zinc/68/66/77/1036686677.db2.gz JWEDWFLVRDPOEN-NSHDSACASA-N -1 2 371.389 2.906 20 0 FFADLM Cc1cc(Br)nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260183859 1040442966 /nfs/dbraw/zinc/44/29/66/1040442966.db2.gz FBIFFTWERVZAPA-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C2CCC2)n1 ZINC001260209960 1040464810 /nfs/dbraw/zinc/46/48/10/1040464810.db2.gz LEJINQKSNFVCRM-UHFFFAOYSA-N -1 2 353.375 2.555 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1 ZINC001260209873 1040465008 /nfs/dbraw/zinc/46/50/08/1040465008.db2.gz INNRVWAOWNUXTI-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM Cc1cc2c(cccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)nn1 ZINC001260215365 1040467372 /nfs/dbraw/zinc/46/73/72/1040467372.db2.gz YXDPIRWSUGZWOA-UHFFFAOYSA-N -1 2 361.354 2.576 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(cccc3O)s2)cc1 ZINC001260220669 1040471001 /nfs/dbraw/zinc/47/10/01/1040471001.db2.gz GJFVNKPRVJJWAA-UHFFFAOYSA-N -1 2 350.377 2.501 20 0 FFADLM O=S(=O)(Nc1ccc(Cl)nn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868426 1040857222 /nfs/dbraw/zinc/85/72/22/1040857222.db2.gz YJFHUTFALBFVLW-UHFFFAOYSA-N -1 2 354.602 2.943 20 0 FFADLM COc1cc(C)c(C)cc1C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001238765202 1043878568 /nfs/dbraw/zinc/87/85/68/1043878568.db2.gz BONCMSKKZSFPPZ-UHFFFAOYSA-N -1 2 354.450 2.976 20 0 FFADLM COCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCCCCCC1 ZINC001342379797 1050973461 /nfs/dbraw/zinc/97/34/61/1050973461.db2.gz LZOPVURVFHDYQM-UHFFFAOYSA-N -1 2 353.858 2.524 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001357473548 1055916401 /nfs/dbraw/zinc/91/64/01/1055916401.db2.gz GQLJGJQDTUWTDT-VXGBXAGGSA-N -1 2 367.885 2.768 20 0 FFADLM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2O)C1 ZINC001574679836 1078058022 /nfs/dbraw/zinc/05/80/22/1078058022.db2.gz KVYVQTKMJOZILJ-QMMMGPOBSA-N -1 2 360.179 2.621 20 0 FFADLM CC(C)(C)Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001589792650 1080745065 /nfs/dbraw/zinc/74/50/65/1080745065.db2.gz IUTPCPCFCAJDTH-UHFFFAOYSA-N -1 2 373.818 2.811 20 0 FFADLM O=c1nc(C[N@H+]2CCCC[C@H]2CO)[nH]c2scc(-c3ccccc3)c21 ZINC000153100965 251101275 /nfs/dbraw/zinc/10/12/75/251101275.db2.gz SYZFNIAZUOOTPG-AWEZNQCLSA-N -1 2 355.463 2.998 20 0 FFADLM Cc1nc(F)ccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000278368969 256304354 /nfs/dbraw/zinc/30/43/54/256304354.db2.gz BSSIDRCVBHOMHU-UHFFFAOYSA-N -1 2 369.487 2.534 20 0 FFADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2=O)[nH+]1 ZINC000125368711 508973052 /nfs/dbraw/zinc/97/30/52/508973052.db2.gz IFSZKUVFGCAEMR-BLLLJJGKSA-N -1 2 351.410 2.564 20 0 FFADLM COc1ccsc1S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000121037906 509115183 /nfs/dbraw/zinc/11/51/83/509115183.db2.gz CEUSOGWDPFDRGW-UHFFFAOYSA-N -1 2 363.464 2.695 20 0 FFADLM COc1cccc([C@@H]2[C@@H](NS(=O)(=O)c3ccco3)CC[N@H+]2C2CC2)c1 ZINC000188814153 509276842 /nfs/dbraw/zinc/27/68/42/509276842.db2.gz BRMDTGXAXLOAOZ-FUHWJXTLSA-N -1 2 362.451 2.545 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1C ZINC000187748396 510415912 /nfs/dbraw/zinc/41/59/12/510415912.db2.gz KXXJYRKMMIRAPQ-GFCCVEGCSA-N -1 2 363.439 2.970 20 0 FFADLM O=S(=O)(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc2ncsc2c1 ZINC000280271619 511400882 /nfs/dbraw/zinc/40/08/82/511400882.db2.gz KVOTZUBXSNPRRL-SNVBAGLBSA-N -1 2 364.452 2.714 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000311142754 511775154 /nfs/dbraw/zinc/77/51/54/511775154.db2.gz FPAJUVCXIGBXJF-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000281272426 511783598 /nfs/dbraw/zinc/78/35/98/511783598.db2.gz XBHPYBLKWZZAQH-UHFFFAOYSA-N -1 2 357.819 2.696 20 0 FFADLM COc1cc(NS(=O)(=O)c2sc(C)cc2C)c(C(=O)[O-])cc1OC ZINC000326464264 511858541 /nfs/dbraw/zinc/85/85/41/511858541.db2.gz LKCFVDKXEIQOHQ-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000284907804 511924759 /nfs/dbraw/zinc/92/47/59/511924759.db2.gz BBBPUUKQYNNFJS-SNVBAGLBSA-N -1 2 356.425 2.657 20 0 FFADLM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000411297861 512568911 /nfs/dbraw/zinc/56/89/11/512568911.db2.gz SEXWOUJTUTVTFY-CQSZACIVSA-N -1 2 355.373 2.807 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)o1 ZINC000446639514 513303547 /nfs/dbraw/zinc/30/35/47/513303547.db2.gz SECBOLYXKYSPBZ-UHFFFAOYSA-N -1 2 365.342 2.616 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)o1 ZINC000446639514 513303552 /nfs/dbraw/zinc/30/35/52/513303552.db2.gz SECBOLYXKYSPBZ-UHFFFAOYSA-N -1 2 365.342 2.616 20 0 FFADLM Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000440831877 513418619 /nfs/dbraw/zinc/41/86/19/513418619.db2.gz NNPCHHNSUZFMPH-UHFFFAOYSA-N -1 2 351.428 2.737 20 0 FFADLM O=C([O-])c1cc([NH+]2CCCC2)ccc1[N-]S(=O)(=O)c1sccc1F ZINC000451028942 513469126 /nfs/dbraw/zinc/46/91/26/513469126.db2.gz JURYXBDEFZNHNF-UHFFFAOYSA-N -1 2 370.427 2.986 20 0 FFADLM O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000447455978 513482739 /nfs/dbraw/zinc/48/27/39/513482739.db2.gz ZUZNIZQYOHZUDV-AWEZNQCLSA-N -1 2 374.872 2.978 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000436891639 514024121 /nfs/dbraw/zinc/02/41/21/514024121.db2.gz GIQRENSBPSSSKG-UHFFFAOYSA-N -1 2 372.196 2.654 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1C ZINC000436990390 514065471 /nfs/dbraw/zinc/06/54/71/514065471.db2.gz RJNPTKDJGUHTEZ-SNVBAGLBSA-N -1 2 367.427 2.676 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000436996112 514067048 /nfs/dbraw/zinc/06/70/48/514067048.db2.gz SJTHLFPEDNTJJQ-UHFFFAOYSA-N -1 2 373.333 2.535 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)ccc1C(=O)[O-] ZINC000507981571 514630677 /nfs/dbraw/zinc/63/06/77/514630677.db2.gz CDZGSMKQYVSQHI-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1F ZINC000484984871 514864583 /nfs/dbraw/zinc/86/45/83/514864583.db2.gz GHPGAUFEXDRULU-UHFFFAOYSA-N -1 2 367.398 2.961 20 0 FFADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1F ZINC000462098256 514881488 /nfs/dbraw/zinc/88/14/88/514881488.db2.gz AUDOMTWYJIYGRD-UHFFFAOYSA-N -1 2 357.334 2.863 20 0 FFADLM CCc1oncc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000509388508 515153216 /nfs/dbraw/zinc/15/32/16/515153216.db2.gz BHQXDWWSNDISRV-UHFFFAOYSA-N -1 2 352.412 2.590 20 0 FFADLM COCCc1nsc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000509523118 515215097 /nfs/dbraw/zinc/21/50/97/515215097.db2.gz AZSGUBYKLYTCHM-INIZCTEOSA-N -1 2 360.527 2.862 20 0 FFADLM CCC[N@@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000459296608 515453581 /nfs/dbraw/zinc/45/35/81/515453581.db2.gz RCPAOKWLYBFBRD-ZDUSSCGKSA-N -1 2 361.891 2.843 20 0 FFADLM CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)nc1C ZINC000459395016 515521202 /nfs/dbraw/zinc/52/12/02/515521202.db2.gz AMOQKJRBDFEWJD-SNVBAGLBSA-N -1 2 362.455 2.852 20 0 FFADLM CCOc1cc(C[NH2+][C@H](C)c2ncn(C)n2)cc(Br)c1O ZINC000459500105 515598150 /nfs/dbraw/zinc/59/81/50/515598150.db2.gz BPWBJWPACJMFFD-SECBINFHSA-N -1 2 355.236 2.533 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000478693348 515926807 /nfs/dbraw/zinc/92/68/07/515926807.db2.gz CSLPNVUIOLTZFY-VIFPVBQESA-N -1 2 367.402 2.937 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000507008108 516052886 /nfs/dbraw/zinc/05/28/86/516052886.db2.gz RWFXMHBNICXXED-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1SC ZINC000479184097 516094535 /nfs/dbraw/zinc/09/45/35/516094535.db2.gz NEERRIFXZIXCFN-UHFFFAOYSA-N -1 2 353.421 2.916 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1F ZINC000479192572 516098916 /nfs/dbraw/zinc/09/89/16/516098916.db2.gz VAZKWJXEKUPXTM-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512762024 516349296 /nfs/dbraw/zinc/34/92/96/516349296.db2.gz MIADEGCHJYRQSP-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3c(F)cccc3F)ccc12 ZINC000517662910 516402911 /nfs/dbraw/zinc/40/29/11/516402911.db2.gz AANOCVXXOWDCBB-UHFFFAOYSA-N -1 2 352.318 2.945 20 0 FFADLM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc(-c4ccoc4)n[nH]3)cc2)n1 ZINC000523417338 516464792 /nfs/dbraw/zinc/46/47/92/516464792.db2.gz FWXYBJFNKKUQSO-UHFFFAOYSA-N -1 2 361.361 2.981 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000544098368 516579330 /nfs/dbraw/zinc/57/93/30/516579330.db2.gz KSKDKRXHWBIGQP-NSHDSACASA-N -1 2 365.407 2.780 20 0 FFADLM O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1)c1ccco1 ZINC000513549307 516667031 /nfs/dbraw/zinc/66/70/31/516667031.db2.gz QSXCXVAXXQRRBJ-LBPRGKRZSA-N -1 2 350.365 2.905 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000524549170 516750714 /nfs/dbraw/zinc/75/07/14/516750714.db2.gz OVFSZNTZUWBJEK-UHFFFAOYSA-N -1 2 367.427 2.588 20 0 FFADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(C)cc2F)c(C(=O)[O-])c1 ZINC000520627737 517461922 /nfs/dbraw/zinc/46/19/22/517461922.db2.gz VBAFSKXMFUYYSQ-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000516631682 517781859 /nfs/dbraw/zinc/78/18/59/517781859.db2.gz PMLOWGUODMKXQH-UHFFFAOYSA-N -1 2 373.381 2.728 20 0 FFADLM COc1ccnc2c(NS(=O)(=O)c3csc(C(=O)[O-])c3)cccc12 ZINC000534317245 517848163 /nfs/dbraw/zinc/84/81/63/517848163.db2.gz WVLPYHRTRXSNNU-UHFFFAOYSA-N -1 2 364.404 2.804 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000572711693 518324347 /nfs/dbraw/zinc/32/43/47/518324347.db2.gz MQOCATRLZZMVFB-UHFFFAOYSA-N -1 2 356.425 2.658 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000579061935 518499186 /nfs/dbraw/zinc/49/91/86/518499186.db2.gz WIMKTVRCTPXWTP-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM CC(C)(CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)n1cc[nH+]c1 ZINC000632729007 522252570 /nfs/dbraw/zinc/25/25/70/522252570.db2.gz GNNYXKPOFFHTHD-UHFFFAOYSA-N -1 2 365.352 2.755 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)s[nH]1 ZINC000630566803 522937779 /nfs/dbraw/zinc/93/77/79/522937779.db2.gz BKVYBTHOPMHWIH-UWVGGRQHSA-N -1 2 366.468 2.571 20 0 FFADLM c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000823751688 599435653 /nfs/dbraw/zinc/43/56/53/599435653.db2.gz PWKGMDGZARKSRW-UHFFFAOYSA-N -1 2 353.430 2.525 20 0 FFADLM CCc1[nH]c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(C)c1C(=O)[O-] ZINC000737245981 599827959 /nfs/dbraw/zinc/82/79/59/599827959.db2.gz PKCKTTVPYAZRII-UHFFFAOYSA-N -1 2 357.345 2.760 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnn2C2CCCC2)c1 ZINC000740145062 600054801 /nfs/dbraw/zinc/05/48/01/600054801.db2.gz WDWDMXFSKABJAL-UHFFFAOYSA-N -1 2 353.375 2.636 20 0 FFADLM O=C([O-])[C@H]1CN(C(=O)c2cccc(Br)c2O)c2ccccc21 ZINC000739613581 600366254 /nfs/dbraw/zinc/36/62/54/600366254.db2.gz PDQAVMDGWSUNDN-NSHDSACASA-N -1 2 362.179 2.983 20 0 FFADLM COc1ccc(Cl)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c1 ZINC000738015121 600520516 /nfs/dbraw/zinc/52/05/16/600520516.db2.gz FEYGLKSDMKVLPL-UHFFFAOYSA-N -1 2 362.816 2.613 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1C(=O)[O-] ZINC000832955802 600829938 /nfs/dbraw/zinc/82/99/38/600829938.db2.gz JFFOULPNZQNKAR-UHFFFAOYSA-N -1 2 365.455 2.816 20 0 FFADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000827213811 601329031 /nfs/dbraw/zinc/32/90/31/601329031.db2.gz SGAAGLVZHZFFNN-KFRNIWOLSA-N -1 2 361.423 2.753 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000832208795 601361344 /nfs/dbraw/zinc/36/13/44/601361344.db2.gz UFHQARARMYXKPL-UHFFFAOYSA-N -1 2 370.452 2.948 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000833345433 601485412 /nfs/dbraw/zinc/48/54/12/601485412.db2.gz BJLYIGSUWFSQRH-UHFFFAOYSA-N -1 2 366.342 2.747 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1O ZINC000754826361 601485788 /nfs/dbraw/zinc/48/57/88/601485788.db2.gz IAOVICCPWDTXEU-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000829440487 601502315 /nfs/dbraw/zinc/50/23/15/601502315.db2.gz MPDKHPHPAHEOGK-YFHOEESVSA-N -1 2 367.452 2.779 20 0 FFADLM Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832891244 601768065 /nfs/dbraw/zinc/76/80/65/601768065.db2.gz NBRGOLJPLHDIRN-UHFFFAOYSA-N -1 2 367.452 2.551 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc(F)c2F)n1 ZINC000833229933 601772604 /nfs/dbraw/zinc/77/26/04/601772604.db2.gz SOSNVAYNPWHSOW-UHFFFAOYSA-N -1 2 362.379 2.629 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)s1 ZINC000739543828 601976620 /nfs/dbraw/zinc/97/66/20/601976620.db2.gz ZSSPBWLMSKLPTJ-UHFFFAOYSA-N -1 2 373.481 2.604 20 0 FFADLM CCN(Cc1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1)C(=O)[O-] ZINC000827170532 603241077 /nfs/dbraw/zinc/24/10/77/603241077.db2.gz IUUJCKOYCRDLFI-UHFFFAOYSA-N -1 2 366.443 2.765 20 0 FFADLM O=C([O-])N1CCc2c1cccc2NS(=O)(=O)c1cccc(F)c1F ZINC000832080407 604015153 /nfs/dbraw/zinc/01/51/53/604015153.db2.gz VWPCZIXWVBAPRG-UHFFFAOYSA-N -1 2 354.334 2.806 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cccc3cccnc32)n1 ZINC000833243206 604625171 /nfs/dbraw/zinc/62/51/71/604625171.db2.gz BXWZWSIKMXNSEY-UHFFFAOYSA-N -1 2 363.420 2.509 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833727203 604747601 /nfs/dbraw/zinc/74/76/01/604747601.db2.gz PEQORFNNOPKVPY-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833660648 605418657 /nfs/dbraw/zinc/41/86/57/605418657.db2.gz PYTLLZSWMIXLQO-UHFFFAOYSA-N -1 2 357.359 2.879 20 0 FFADLM Cc1cc(NS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)cn2cc[nH+]c12 ZINC000906065073 736449703 /nfs/dbraw/zinc/44/97/03/736449703.db2.gz AZPNLQXNSSIBDD-HSZRJFAPSA-N -1 2 370.500 2.730 20 0 FFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000275029860 729699464 /nfs/dbraw/zinc/69/94/64/729699464.db2.gz PVHDCWXWXUQELD-ZANVPECISA-N -1 2 361.341 2.836 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000275029853 729699556 /nfs/dbraw/zinc/69/95/56/729699556.db2.gz PVHDCWXWXUQELD-RNCFNFMXSA-N -1 2 361.341 2.836 20 0 FFADLM O=c1[nH]c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)nc2c1COCC2 ZINC000878654637 732572597 /nfs/dbraw/zinc/57/25/97/732572597.db2.gz AZDDCQHRVXSHQF-CQSZACIVSA-N -1 2 361.829 2.562 20 0 FFADLM CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000323927261 845803145 /nfs/dbraw/zinc/80/31/45/845803145.db2.gz XSGRDCAWTHPWTQ-UHFFFAOYSA-N -1 2 373.383 2.563 20 0 FFADLM CCc1ccccc1N1CC(=O)C(C(=O)NCc2ccccc2C(=O)[O-])=N1 ZINC001593642144 953654057 /nfs/dbraw/zinc/65/40/57/953654057.db2.gz ZWQNGESKJLHVFB-UHFFFAOYSA-N -1 2 365.389 2.769 20 0 FFADLM COCCOc1cc(C)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000391868014 972385150 /nfs/dbraw/zinc/38/51/50/972385150.db2.gz WOUNEQGEVMKFKX-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000392181740 972422106 /nfs/dbraw/zinc/42/21/06/972422106.db2.gz MEFJLHGHDLIRNS-UHFFFAOYSA-N -1 2 373.431 2.683 20 0 FFADLM O=C([O-])c1cccc(CS(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000321219101 970754180 /nfs/dbraw/zinc/75/41/80/970754180.db2.gz YZNXAGGYPZGBMG-UHFFFAOYSA-N -1 2 352.437 2.662 20 0 FFADLM O=C([O-])c1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000652487081 975551140 /nfs/dbraw/zinc/55/11/40/975551140.db2.gz PRXJCPANQXHOEE-UHFFFAOYSA-N -1 2 366.461 2.775 20 0 FFADLM CC(C)c1csc(NS(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001592008827 976682964 /nfs/dbraw/zinc/68/29/64/976682964.db2.gz TYRSHQHUAVCXOZ-UHFFFAOYSA-N -1 2 358.416 2.834 20 0 FFADLM CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001590409797 989949794 /nfs/dbraw/zinc/94/97/94/989949794.db2.gz NURMJIJDCAWJPC-UHFFFAOYSA-N -1 2 368.386 2.897 20 0 FFADLM COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599504336 997184720 /nfs/dbraw/zinc/18/47/20/997184720.db2.gz GKUDQESTHDVDDN-UHFFFAOYSA-N -1 2 364.423 2.887 20 0 FFADLM COc1c(NC(=O)c2ncc(Br)cc2O)cccc1C(=O)[O-] ZINC001599342637 997946582 /nfs/dbraw/zinc/94/65/82/997946582.db2.gz RAFGRPJAOIWAMG-UHFFFAOYSA-N -1 2 367.155 2.509 20 0 FFADLM O=C1C[C@]2(CC[N@@H+](Cc3c(F)cc(O)cc3F)C2)CN1c1ccccn1 ZINC001144554077 998648361 /nfs/dbraw/zinc/64/83/61/998648361.db2.gz WUQYDNGNPVNRRB-IBGZPJMESA-N -1 2 359.376 2.694 20 0 FFADLM COC(=O)c1c(C)csc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877368 1003113540 /nfs/dbraw/zinc/11/35/40/1003113540.db2.gz HSVVHEWTKHMVAQ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CCOc1cncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001193971779 1004621582 /nfs/dbraw/zinc/62/15/82/1004621582.db2.gz LGGURJKCYSSUKK-UHFFFAOYSA-N -1 2 374.777 2.772 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])n(-c2cccc(C)c2)n1 ZINC001198740952 1004718638 /nfs/dbraw/zinc/71/86/38/1004718638.db2.gz KTXNWIKYXVDDKU-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCOc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc(C)n1 ZINC001195202114 1004915752 /nfs/dbraw/zinc/91/57/52/1004915752.db2.gz NXPKGKQOHPCFPB-UHFFFAOYSA-N -1 2 372.349 2.566 20 0 FFADLM CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201275995 1005193936 /nfs/dbraw/zinc/19/39/36/1005193936.db2.gz ILQNWXNCDVSQTA-VIFPVBQESA-N -1 2 355.262 2.894 20 0 FFADLM CC(=O)Nc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187579343 1006162196 /nfs/dbraw/zinc/16/21/96/1006162196.db2.gz VXYFYMMYGITMGV-UHFFFAOYSA-N -1 2 368.798 2.797 20 0 FFADLM O=c1nc(OC[C@H]2CCC=CO2)c2c([nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC001230188137 1037134561 /nfs/dbraw/zinc/13/45/61/1037134561.db2.gz GDMZDKWOVXUETG-MRXNPFEDSA-N -1 2 353.422 2.812 20 0 FFADLM Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001231674708 1037801829 /nfs/dbraw/zinc/80/18/29/1037801829.db2.gz FHVDRLHXRDSMLD-AWEZNQCLSA-N -1 2 357.401 2.830 20 0 FFADLM O=c1ccn(-c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)[n-]1 ZINC001251012417 1038894541 /nfs/dbraw/zinc/89/45/41/1038894541.db2.gz OCMAKRHQVHUCLQ-UHFFFAOYSA-N -1 2 366.402 2.927 20 0 FFADLM O=c1cc(-c2ccc(Cl)nc2)[nH]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245948688 1039156455 /nfs/dbraw/zinc/15/64/55/1039156455.db2.gz GZDFQTSPCZFQBN-UHFFFAOYSA-N -1 2 351.771 2.540 20 0 FFADLM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C(=O)C2 ZINC001258973653 1039630447 /nfs/dbraw/zinc/63/04/47/1039630447.db2.gz PKABFUKDWQWFEV-FVMDXXJSSA-N -1 2 359.394 2.808 20 0 FFADLM Cc1cc(F)ncc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213285 1039807135 /nfs/dbraw/zinc/80/71/35/1039807135.db2.gz LPVTZZGNEDKTLK-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n(C)n2)cc1 ZINC001260184834 1040444683 /nfs/dbraw/zinc/44/46/83/1040444683.db2.gz FMOSFZKRVLGMDI-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(F)c1F ZINC001260216637 1040469440 /nfs/dbraw/zinc/46/94/40/1040469440.db2.gz SCOXXOUQSKVSEC-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3c(s2)CCCC3)ccc1O ZINC001260394305 1040577122 /nfs/dbraw/zinc/57/71/22/1040577122.db2.gz ZMBVYCCOFIMTGL-UHFFFAOYSA-N -1 2 353.421 2.832 20 0 FFADLM O=S(=O)(Nc1cnn2cccnc12)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868988 1040857407 /nfs/dbraw/zinc/85/74/07/1040857407.db2.gz VOXFSZBKYDFZQM-UHFFFAOYSA-N -1 2 359.194 2.543 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](C(C)C)C1 ZINC001342561194 1051165512 /nfs/dbraw/zinc/16/55/12/1051165512.db2.gz WEXLDQIYLVUKCP-LBPRGKRZSA-N -1 2 367.885 2.626 20 0 FFADLM O=C([O-])[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1Br ZINC001601665025 1058176979 /nfs/dbraw/zinc/17/69/79/1058176979.db2.gz SBXATERGUSHYAY-JGVFFNPUSA-N -1 2 358.085 2.591 20 0 FFADLM O=C([O-])[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1Br ZINC001601665025 1058176982 /nfs/dbraw/zinc/17/69/82/1058176982.db2.gz SBXATERGUSHYAY-JGVFFNPUSA-N -1 2 358.085 2.591 20 0 FFADLM CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(-c2nn[nH]n2)c(=O)[nH]1 ZINC001588771637 1080188275 /nfs/dbraw/zinc/18/82/75/1080188275.db2.gz YMTKVIIXDDGJJA-SREVYHEPSA-N -1 2 372.772 2.583 20 0 FFADLM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Br)cc(F)c1O ZINC001589303103 1080473037 /nfs/dbraw/zinc/47/30/37/1080473037.db2.gz OFIBBVYQLYHBKT-SFYZADRCSA-N -1 2 360.179 2.619 20 0 FFADLM C[C@H](C(=O)[O-])c1cccc(NS(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC001589539493 1080592226 /nfs/dbraw/zinc/59/22/26/1080592226.db2.gz HFSGCCLOCRBZEC-LBPRGKRZSA-N -1 2 363.439 2.672 20 0 FFADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC001589657168 1080656142 /nfs/dbraw/zinc/65/61/42/1080656142.db2.gz RJYTZLAHKHFPFK-UHFFFAOYSA-N -1 2 360.844 2.960 20 0 FFADLM O=C(NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1)C(F)(F)F ZINC000289485823 257283650 /nfs/dbraw/zinc/28/36/50/257283650.db2.gz ONAYDQLWQHRUAM-NSHDSACASA-N -1 2 357.332 2.825 20 0 FFADLM CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045946748 507050347 /nfs/dbraw/zinc/05/03/47/507050347.db2.gz JMUUMWNXJRLHPK-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM COCCOc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000057125992 507179982 /nfs/dbraw/zinc/17/99/82/507179982.db2.gz LCIFMULLUDAMHJ-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000070775123 507635535 /nfs/dbraw/zinc/63/55/35/507635535.db2.gz WBZBIGBERBCOEF-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1 ZINC000152606030 508477695 /nfs/dbraw/zinc/47/76/95/508477695.db2.gz TYIDFWLYQGJUCQ-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1C(=O)[O-] ZINC000137676705 508761921 /nfs/dbraw/zinc/76/19/21/508761921.db2.gz GOCXDWGWRSKVNK-UHFFFAOYSA-N -1 2 365.455 2.991 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C)sc2C)c1OC ZINC000267506022 509521532 /nfs/dbraw/zinc/52/15/32/509521532.db2.gz IPJNNQRWKRCABN-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM Cc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cccc1C(=O)[O-] ZINC000170851736 509812360 /nfs/dbraw/zinc/81/23/60/509812360.db2.gz HWOAUMOAKVGYDX-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C)oc1C ZINC000271934508 511375684 /nfs/dbraw/zinc/37/56/84/511375684.db2.gz XKLRVGYQPVGFAP-UHFFFAOYSA-N -1 2 353.396 2.723 20 0 FFADLM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000325063806 511844354 /nfs/dbraw/zinc/84/43/54/511844354.db2.gz UTPPJYNUJGIQLE-UHFFFAOYSA-N -1 2 368.436 2.904 20 0 FFADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000296730006 511873408 /nfs/dbraw/zinc/87/34/08/511873408.db2.gz NXLHMGOZBLRGDB-UHFFFAOYSA-N -1 2 363.439 2.967 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000285227139 512044443 /nfs/dbraw/zinc/04/44/43/512044443.db2.gz SPQKANWWUHDGSO-NSHDSACASA-N -1 2 369.468 2.830 20 0 FFADLM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1O ZINC000282147618 512088503 /nfs/dbraw/zinc/08/85/03/512088503.db2.gz FGVAWUHRDIZPNN-LURJTMIESA-N -1 2 358.641 2.585 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)[nH]n2)o1 ZINC000446619527 513297522 /nfs/dbraw/zinc/29/75/22/513297522.db2.gz GSUAZPDSYPQIJS-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)n[nH]2)o1 ZINC000446619527 513297526 /nfs/dbraw/zinc/29/75/26/513297526.db2.gz GSUAZPDSYPQIJS-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)nn1C ZINC000446635943 513301661 /nfs/dbraw/zinc/30/16/61/513301661.db2.gz BUXUJDBWRIPDPI-UHFFFAOYSA-N -1 2 357.457 2.587 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000451066067 513493092 /nfs/dbraw/zinc/49/30/92/513493092.db2.gz BJUZJGWXSUKINK-UHFFFAOYSA-N -1 2 350.396 2.676 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000451069718 513497428 /nfs/dbraw/zinc/49/74/28/513497428.db2.gz FXGZBFNNIWKFKT-UHFFFAOYSA-N -1 2 368.386 2.735 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000448132517 513681541 /nfs/dbraw/zinc/68/15/41/513681541.db2.gz MIYWMYQYYHFMKY-UHFFFAOYSA-N -1 2 355.391 2.630 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C ZINC000448127823 513681632 /nfs/dbraw/zinc/68/16/32/513681632.db2.gz KBVXXKHJFINFHS-UHFFFAOYSA-N -1 2 369.418 2.938 20 0 FFADLM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O ZINC000421143956 514502637 /nfs/dbraw/zinc/50/26/37/514502637.db2.gz BEODRHHVVUBUJO-INIZCTEOSA-N -1 2 363.435 2.594 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3c(C)n(C)nc3c2)sc1C(=O)[O-] ZINC000461335812 514572104 /nfs/dbraw/zinc/57/21/04/514572104.db2.gz 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351.454 3.139 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000532038017 516768072 /nfs/dbraw/zinc/76/80/72/516768072.db2.gz YLLCOIFGHJEWIP-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548201926 516825318 /nfs/dbraw/zinc/82/53/18/516825318.db2.gz ZGMOIGKOIHWTJE-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000541802818 517222388 /nfs/dbraw/zinc/22/23/88/517222388.db2.gz PSMLHCWAUGGQGR-LLVKDONJSA-N -1 2 365.455 2.584 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC000560251431 517658651 /nfs/dbraw/zinc/65/86/51/517658651.db2.gz WXYPISHEELMWFB-UHFFFAOYSA-N -1 2 363.439 2.978 20 0 FFADLM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Br)cc(Cl)c1O ZINC000534169614 517769306 /nfs/dbraw/zinc/76/93/06/517769306.db2.gz VNCAUANCDCHVDY-QMMMGPOBSA-N -1 2 370.652 2.729 20 0 FFADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000534973717 518102902 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FC1(F)CN(Cc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1[NH+]1CCCCC1 ZINC001139097070 1034933605 /nfs/dbraw/zinc/93/36/05/1034933605.db2.gz RRYBBYBJLOPWIO-MRXNPFEDSA-N -1 2 362.428 2.562 20 0 FFADLM O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233395408 1036596113 /nfs/dbraw/zinc/59/61/13/1036596113.db2.gz WUMWAHIMPMRCQJ-UHFFFAOYSA-N -1 2 360.404 2.843 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnc3ccc(O)cc3c2)c1 ZINC001260209883 1040464523 /nfs/dbraw/zinc/46/45/23/1040464523.db2.gz ITMLRSQUHMSUHS-UHFFFAOYSA-N -1 2 362.338 2.579 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC001260209231 1040464960 /nfs/dbraw/zinc/46/49/60/1040464960.db2.gz PXDIJKQVTOBYLM-UHFFFAOYSA-N -1 2 370.305 2.800 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc3ccc(=O)[nH]c32)c1 ZINC001260216415 1040468994 /nfs/dbraw/zinc/46/89/94/1040468994.db2.gz HSEJFTGUXHUMHL-UHFFFAOYSA-N -1 2 362.338 2.579 20 0 FFADLM Cn1nc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c2cccnc21 ZINC001260869097 1040858002 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Cc1cc(S(=O)(=O)Nc2ccc3c(C)n[nH]c3c2)sc1C(=O)[O-] ZINC000093909258 508160062 /nfs/dbraw/zinc/16/00/62/508160062.db2.gz GPXBBWMLICYVLK-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3c(C)[nH]nc3c2)sc1C(=O)[O-] ZINC000093909258 508160065 /nfs/dbraw/zinc/16/00/65/508160065.db2.gz GPXBBWMLICYVLK-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM O=C([N-]O[C@@H]1CCCCO1)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000101669721 508253160 /nfs/dbraw/zinc/25/31/60/508253160.db2.gz LAYDJCSFNRFFHA-CYBMUJFWSA-N -1 2 371.315 2.785 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N([C@H](C)C(=O)[O-])C3CC3)=N2)cc1 ZINC000263570208 510752913 /nfs/dbraw/zinc/75/29/13/510752913.db2.gz ZWUBILPBCSFOOU-GFCCVEGCSA-N -1 2 357.410 2.779 20 0 FFADLM COc1c(C)cc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1C ZINC000280329633 511423687 /nfs/dbraw/zinc/42/36/87/511423687.db2.gz QDIVIADYBUSISI-ZDUSSCGKSA-N -1 2 365.455 2.730 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3c2N=S=N3)c(O)c1 ZINC000319911117 511810492 /nfs/dbraw/zinc/81/04/92/511810492.db2.gz PCCSNCTYWRPQBI-UHFFFAOYSA-N -1 2 351.365 2.618 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000320022698 511812770 /nfs/dbraw/zinc/81/27/70/511812770.db2.gz OMQFEEHOIHAULR-UHFFFAOYSA-N -1 2 374.827 2.859 20 0 FFADLM COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326618494 511859775 /nfs/dbraw/zinc/85/97/75/511859775.db2.gz LYTSXVKOUCGESI-UHFFFAOYSA-N -1 2 369.782 2.626 20 0 FFADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000281980036 512035658 /nfs/dbraw/zinc/03/56/58/512035658.db2.gz UZTJJKBVAUNILJ-UHFFFAOYSA-N -1 2 371.846 2.590 20 0 FFADLM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)CC2=O)CC[N@@H+](C2CCC2)C1 ZINC000293733098 512066576 /nfs/dbraw/zinc/06/65/76/512066576.db2.gz QPBGWTCOACRTRE-HNNXBMFYSA-N -1 2 354.454 2.524 20 0 FFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1scnc1C(C)C ZINC000451105845 513527054 /nfs/dbraw/zinc/52/70/54/513527054.db2.gz WDUKYUHZWYQDGP-UHFFFAOYSA-N -1 2 370.452 2.703 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000442821613 513787965 /nfs/dbraw/zinc/78/79/65/513787965.db2.gz VHDCWZGHRQFCTQ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000436892482 514022841 /nfs/dbraw/zinc/02/28/41/514022841.db2.gz JTXFBWBWXWPVNW-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc(Cl)c2O)c1 ZINC000437005800 514073591 /nfs/dbraw/zinc/07/35/91/514073591.db2.gz UEUZQODGVNOUKR-UHFFFAOYSA-N -1 2 357.771 2.559 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000438775171 514440160 /nfs/dbraw/zinc/44/01/60/514440160.db2.gz GLWWHMGEYURCBX-UHFFFAOYSA-N -1 2 351.428 2.601 20 0 FFADLM C[NH+](C)[C@H](C(=O)Nc1nc(-c2ccccn2)n[nH]1)c1cccc(Cl)c1 ZINC000439021683 514484078 /nfs/dbraw/zinc/48/40/78/514484078.db2.gz QGUQEUTVDAVZCL-AWEZNQCLSA-N -1 2 356.817 2.762 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1-c1ccccc1 ZINC000507877186 514593058 /nfs/dbraw/zinc/59/30/58/514593058.db2.gz LHXIKXMTFRWVBD-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000488993588 514665318 /nfs/dbraw/zinc/66/53/18/514665318.db2.gz CFKWOPJSFALWCS-UHFFFAOYSA-N -1 2 354.453 2.832 20 0 FFADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471130994 514764362 /nfs/dbraw/zinc/76/43/62/514764362.db2.gz MRNDYKFNLNCPKT-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471133914 514766474 /nfs/dbraw/zinc/76/64/74/514766474.db2.gz SGBVTEKUZAMYPD-UHFFFAOYSA-N -1 2 350.396 2.514 20 0 FFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000485296322 514987809 /nfs/dbraw/zinc/98/78/09/514987809.db2.gz SQYHLSGLWXWVGY-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM O=C([O-])c1cc(Br)cc(C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000462890929 515286236 /nfs/dbraw/zinc/28/62/36/515286236.db2.gz ZXAQFZLELDKGLU-UHFFFAOYSA-N -1 2 361.155 2.671 20 0 FFADLM Cc1ncc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)s1 ZINC000504665860 515351989 /nfs/dbraw/zinc/35/19/89/515351989.db2.gz MVIZYUINNXEMJT-QMMMGPOBSA-N -1 2 358.466 2.818 20 0 FFADLM C[N@@H+](Cc1cccc(O)c1Br)CC(C)(C)CN1CCOCC1 ZINC000459351801 515493645 /nfs/dbraw/zinc/49/36/45/515493645.db2.gz ZODIOHVCATTYBE-UHFFFAOYSA-N -1 2 371.319 2.945 20 0 FFADLM CCC1(CC)C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[S@]1=O ZINC000459399904 515526194 /nfs/dbraw/zinc/52/61/94/515526194.db2.gz BHRAOSSGYHKLNS-RUZDIDTESA-N -1 2 359.495 2.972 20 0 FFADLM Oc1cccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1Br ZINC000459569925 515655971 /nfs/dbraw/zinc/65/59/71/515655971.db2.gz LKMIAHWGWUXXFO-JOYOIKCWSA-N -1 2 354.166 2.900 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1F ZINC000479181516 516090934 /nfs/dbraw/zinc/09/09/34/516090934.db2.gz AHFUDFIENGMKIP-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000479365767 516167240 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2.978 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1 ZINC000519993763 517254087 /nfs/dbraw/zinc/25/40/87/517254087.db2.gz NTMMYODKSLEVIO-UHFFFAOYSA-N -1 2 371.418 2.690 20 0 FFADLM OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000581401703 518265315 /nfs/dbraw/zinc/26/53/15/518265315.db2.gz WWPHBKHTZUOHRT-LBPRGKRZSA-N -1 2 361.282 2.519 20 0 FFADLM Cc1c(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2C(=O)[O-])cnn1C ZINC000570867886 518818030 /nfs/dbraw/zinc/81/80/30/518818030.db2.gz XOAJLHSVDVXAFI-UHFFFAOYSA-N -1 2 351.428 2.525 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccc(SC)cc2OC)cc1C(=O)[O-] ZINC000446624447 568173596 /nfs/dbraw/zinc/17/35/96/568173596.db2.gz NTVHUDHQMABVEG-UHFFFAOYSA-N -1 2 370.452 2.738 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC000321113897 600050621 /nfs/dbraw/zinc/05/06/21/600050621.db2.gz KHOXCGOVPJYFSY-UHFFFAOYSA-N -1 2 356.425 2.731 20 0 FFADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cccs3)nc2n1 ZINC000738345147 600102528 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C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@H]1C(=O)[O-] ZINC000828386401 601801118 /nfs/dbraw/zinc/80/11/18/601801118.db2.gz NAAVQCSVSSMFJJ-MUWHJKNJSA-N -1 2 362.607 2.601 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)ccc1Cl ZINC000728510013 601828419 /nfs/dbraw/zinc/82/84/19/601828419.db2.gz VEODLFGUAFTLEO-UHFFFAOYSA-N -1 2 353.787 2.506 20 0 FFADLM CC[C@H](C)Oc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000828765200 601837886 /nfs/dbraw/zinc/83/78/86/601837886.db2.gz YYKQBXPIQFRWKH-VIFPVBQESA-N -1 2 356.425 2.819 20 0 FFADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2ccc(C)c(C)c2)c(C)c1C(=O)[O-] ZINC000832933805 602135069 /nfs/dbraw/zinc/13/50/69/602135069.db2.gz HHNXJBCBGNUURS-UHFFFAOYSA-N -1 2 363.435 2.744 20 0 FFADLM Cc1[nH]c(C(O)=CS(=O)(=O)Cc2ccc(C)c(C)c2)c(C)c1C(=O)[O-] ZINC000832933805 602135071 /nfs/dbraw/zinc/13/50/71/602135071.db2.gz HHNXJBCBGNUURS-UHFFFAOYSA-N -1 2 363.435 2.744 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)ccc1Cl ZINC000833306142 602212683 /nfs/dbraw/zinc/21/26/83/602212683.db2.gz GQUASWKUDPQLIY-UHFFFAOYSA-N -1 2 369.758 2.628 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccc(OCCNC(=O)[O-])c2)c(F)c1 ZINC000740148318 603288270 /nfs/dbraw/zinc/28/82/70/603288270.db2.gz USHBVPVGIMSIHY-UHFFFAOYSA-N -1 2 368.386 2.581 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1C(=O)[O-] ZINC000833751216 605013388 /nfs/dbraw/zinc/01/33/88/605013388.db2.gz RHMBVLMYDLRLCU-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM CC(C)(C)Cc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[nH]n1 ZINC000833430020 605167065 /nfs/dbraw/zinc/16/70/65/605167065.db2.gz DNFRXXHNHYNJMR-UHFFFAOYSA-N -1 2 355.391 2.636 20 0 FFADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156366230 728849297 /nfs/dbraw/zinc/84/92/97/728849297.db2.gz IVQATOLHOTVWKO-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c(O)c1 ZINC000746055433 735460213 /nfs/dbraw/zinc/46/02/13/735460213.db2.gz KVIJQXQUYKIJAT-UHFFFAOYSA-N -1 2 363.178 2.593 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1F ZINC000195066176 729528196 /nfs/dbraw/zinc/52/81/96/729528196.db2.gz JYUGEIAQNVJTKO-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000325814122 729759426 /nfs/dbraw/zinc/75/94/26/729759426.db2.gz LUMUGEXPTWJNSF-UHFFFAOYSA-N -1 2 353.346 2.953 20 0 FFADLM Cc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)OCO2 ZINC000781116104 738599850 /nfs/dbraw/zinc/59/98/50/738599850.db2.gz XZFPGNNEIXRTGT-UHFFFAOYSA-N -1 2 371.317 2.501 20 0 FFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000673885389 733655350 /nfs/dbraw/zinc/65/53/50/733655350.db2.gz WVKQZQSEEGXZIA-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000677550577 733953322 /nfs/dbraw/zinc/95/33/22/733953322.db2.gz JIXVLDTUEKWEON-UHFFFAOYSA-N -1 2 373.381 2.980 20 0 FFADLM CC(C)n1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767732670 737361304 /nfs/dbraw/zinc/36/13/04/737361304.db2.gz GVXLJESPEFREKZ-UHFFFAOYSA-N -1 2 361.782 2.756 20 0 FFADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777637984 738308313 /nfs/dbraw/zinc/30/83/13/738308313.db2.gz PPXWWOBDNIPZOA-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnc(Cl)c(C)c1 ZINC000323106007 970967436 /nfs/dbraw/zinc/96/74/36/970967436.db2.gz DGCVMHGWKUZNET-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1F ZINC000323714552 971031177 /nfs/dbraw/zinc/03/11/77/971031177.db2.gz JGTLRUWDDSIMGS-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM COc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000324917977 971169256 /nfs/dbraw/zinc/16/92/56/971169256.db2.gz YXDRRIBACVPGKR-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM O=C([O-])[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC001594786848 953677027 /nfs/dbraw/zinc/67/70/27/953677027.db2.gz HZTBGMMFZVQXLV-HNNXBMFYSA-N -1 2 371.780 2.787 20 0 FFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000318724067 970465491 /nfs/dbraw/zinc/46/54/91/970465491.db2.gz LGMBZCHANGJHCL-UHFFFAOYSA-N -1 2 358.466 2.891 20 0 FFADLM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000319888405 970585732 /nfs/dbraw/zinc/58/57/32/970585732.db2.gz ARPAILGIOGHESD-UHFFFAOYSA-N -1 2 354.746 2.850 20 0 FFADLM CCC[C@](C)(NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001595553307 981428594 /nfs/dbraw/zinc/42/85/94/981428594.db2.gz FNSAVEOXVOEBHF-INIZCTEOSA-N -1 2 351.790 2.605 20 0 FFADLM CCCC[C@@H](OC(=O)c1nn(-c2ccc(F)cc2F)cc1O)C(=O)[O-] ZINC001595651619 982023793 /nfs/dbraw/zinc/02/37/93/982023793.db2.gz INBBBALAZLWYAM-CYBMUJFWSA-N -1 2 354.309 2.656 20 0 FFADLM CCSCc1cccnc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001597267134 987300652 /nfs/dbraw/zinc/30/06/52/987300652.db2.gz FDOSUOORTGJUPW-UHFFFAOYSA-N -1 2 370.427 2.973 20 0 FFADLM CCc1nccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001597703660 988942525 /nfs/dbraw/zinc/94/25/25/988942525.db2.gz TXJJIKORAMXAJO-UHFFFAOYSA-N -1 2 352.387 2.899 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC001597791737 989325796 /nfs/dbraw/zinc/32/57/96/989325796.db2.gz RPLVBGWUYAMDOL-UHFFFAOYSA-N -1 2 356.425 2.676 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n[nH]1 ZINC001590363092 989820620 /nfs/dbraw/zinc/82/06/20/989820620.db2.gz QPSWXOYZGAWEHH-UHFFFAOYSA-N -1 2 359.382 2.635 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)[nH]n1 ZINC001590363092 989820630 /nfs/dbraw/zinc/82/06/30/989820630.db2.gz QPSWXOYZGAWEHH-UHFFFAOYSA-N -1 2 359.382 2.635 20 0 FFADLM CC(C)(C)c1coc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001590527195 990141824 /nfs/dbraw/zinc/14/18/24/990141824.db2.gz WVNXXFMHFLCNMO-TWGQIWQCSA-N -1 2 350.396 2.871 20 0 FFADLM CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001591269764 992185761 /nfs/dbraw/zinc/18/57/61/992185761.db2.gz HEEQTDOBZNSYNA-UHFFFAOYSA-N -1 2 373.818 2.811 20 0 FFADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001599604715 993868638 /nfs/dbraw/zinc/86/86/38/993868638.db2.gz OJKMNNJRRNQXFY-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM COCCOc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1C ZINC001599260089 998370404 /nfs/dbraw/zinc/37/04/04/998370404.db2.gz PLEWOVWBGDTTPT-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1O ZINC001594158191 998583808 /nfs/dbraw/zinc/58/38/08/998583808.db2.gz DOQWWSDMIHWTHT-SVRRBLITSA-N -1 2 362.607 2.743 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C)cc1C(=O)[O-] ZINC001184664285 1002679686 /nfs/dbraw/zinc/67/96/86/1002679686.db2.gz QASLQFMGEOPFNT-UHFFFAOYSA-N -1 2 351.428 2.525 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ncc1Br ZINC001198730392 1004713521 /nfs/dbraw/zinc/71/35/21/1004713521.db2.gz LZDMXBXIQNQCIK-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(O)c(F)c(F)c2)c1 ZINC001187581000 1006162263 /nfs/dbraw/zinc/16/22/63/1006162263.db2.gz DLDPDIZTGLCBEV-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM O=C([O-])c1cc(-c2ccc(S(=O)(=O)Nc3nccs3)cn2)cs1 ZINC001206266151 1032205588 /nfs/dbraw/zinc/20/55/88/1032205588.db2.gz ZJRUCQBVQPMUDZ-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM COc1cc(C(=O)Nc2nc[nH]c(=O)c2Br)cc(Cl)c1O ZINC001191138552 1007913143 /nfs/dbraw/zinc/91/31/43/1007913143.db2.gz GZABTNKFMRPXGT-UHFFFAOYSA-N -1 2 374.578 2.565 20 0 FFADLM O=c1[nH]c(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)nc2c1COCC2 ZINC000932616597 1020850632 /nfs/dbraw/zinc/85/06/32/1020850632.db2.gz HMARAJBICNBCLD-UHFFFAOYSA-N -1 2 372.494 2.580 20 0 FFADLM CCc1cc(=O)[nH]c(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000839151881 1026607213 /nfs/dbraw/zinc/60/72/13/1026607213.db2.gz FGKUDXZJUAYLHE-IBGZPJMESA-N -1 2 363.408 2.968 20 0 FFADLM O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001232970409 1036197647 /nfs/dbraw/zinc/19/76/47/1036197647.db2.gz RHJSTPTVHXJLQB-OAHLLOKOSA-N -1 2 373.403 2.704 20 0 FFADLM C[N@H+](Cc1cccc(O)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233049272 1036293757 /nfs/dbraw/zinc/29/37/57/1036293757.db2.gz AMWGQCRYTFPGPW-AWEZNQCLSA-N -1 2 354.422 2.599 20 0 FFADLM Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(F)c1F ZINC001140890795 1036391327 /nfs/dbraw/zinc/39/13/27/1036391327.db2.gz MCWOCJHZGUVKMG-KUHUBIRLSA-N -1 2 362.376 2.593 20 0 FFADLM Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(F)c(O)cc2F)n(C)n1 ZINC001278453313 1039398178 /nfs/dbraw/zinc/39/81/78/1039398178.db2.gz SYKVCGVQJMRIBO-ROUUACIJSA-N -1 2 362.424 2.561 20 0 FFADLM Cc1cccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n(C)n2)c1 ZINC001260185144 1040445499 /nfs/dbraw/zinc/44/54/99/1040445499.db2.gz SPSUOHWIISUHEN-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc3ccc(F)cc3o2)c1 ZINC001260208490 1040462747 /nfs/dbraw/zinc/46/27/47/1040462747.db2.gz PAUZHNLPHRASBB-UHFFFAOYSA-N -1 2 354.290 2.605 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001260215903 1040466983 /nfs/dbraw/zinc/46/69/83/1040466983.db2.gz GNNZHFHDUIOXKV-OAHLLOKOSA-N -1 2 365.382 2.694 20 0 FFADLM CSc1cc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)nn1C ZINC001260869306 1040857910 /nfs/dbraw/zinc/85/79/10/1040857910.db2.gz KWVUMHUKRVFOPA-UHFFFAOYSA-N -1 2 368.267 2.955 20 0 FFADLM CC(C)(C)OC(=O)NCc1c[nH+]ccc1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001249823126 1041022274 /nfs/dbraw/zinc/02/22/74/1041022274.db2.gz QHSGYXFNFFJJBI-UHFFFAOYSA-N -1 2 355.398 2.733 20 0 FFADLM Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(O)cccc3F)[C@@H]2C1 ZINC001279207214 1042300347 /nfs/dbraw/zinc/30/03/47/1042300347.db2.gz ZPVJFBWCNAAFCB-GXTWGEPZSA-N -1 2 361.442 2.643 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H](CC)C1 ZINC001357473633 1055916566 /nfs/dbraw/zinc/91/65/66/1055916566.db2.gz HLFCSVIBKYDYPX-LBPRGKRZSA-N -1 2 367.885 2.770 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c1C ZINC000068175898 507137848 /nfs/dbraw/zinc/13/78/48/507137848.db2.gz WTUPIJNFJTWZAD-UHFFFAOYSA-N -1 2 351.428 2.754 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cn1 ZINC000057783593 507327853 /nfs/dbraw/zinc/32/78/53/507327853.db2.gz BJVVTSPSVFAZCW-UHFFFAOYSA-N -1 2 373.390 2.711 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1CCC(C)C ZINC000137783626 508764586 /nfs/dbraw/zinc/76/45/86/508764586.db2.gz BPDMQRJJCHIYNM-UHFFFAOYSA-N -1 2 365.455 2.666 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000156284279 509154692 /nfs/dbraw/zinc/15/46/92/509154692.db2.gz DNQNHAHVTHZHDI-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194230600 510271125 /nfs/dbraw/zinc/27/11/25/510271125.db2.gz IVKJJMFQQVZJIF-UHFFFAOYSA-N -1 2 355.441 2.867 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000266617959 510690840 /nfs/dbraw/zinc/69/08/40/510690840.db2.gz SISJCIBBYDZOGH-UHFFFAOYSA-N -1 2 357.819 2.692 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2sc(C)cc2C)c1OC ZINC000292336211 511556978 /nfs/dbraw/zinc/55/69/78/511556978.db2.gz OCVLAJOFPZXUMG-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321041189 511817761 /nfs/dbraw/zinc/81/77/61/511817761.db2.gz ZDHPPHZZKJRCEU-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])s1 ZINC000323970173 511832775 /nfs/dbraw/zinc/83/27/75/511832775.db2.gz HNRIURHZAABZLW-UHFFFAOYSA-N -1 2 356.381 2.772 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c(F)c1 ZINC000325810334 511852229 /nfs/dbraw/zinc/85/22/29/511852229.db2.gz KBXXDNBHGNKOMP-UHFFFAOYSA-N -1 2 361.297 2.926 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c(Cl)cc1F ZINC000284985112 511956587 /nfs/dbraw/zinc/95/65/87/511956587.db2.gz FWYOTGBPMOEQGG-UHFFFAOYSA-N -1 2 373.793 2.511 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)cc1C(=O)[O-] ZINC000372860151 513076943 /nfs/dbraw/zinc/07/69/43/513076943.db2.gz SNQYFHUTJZZDID-UHFFFAOYSA-N -1 2 372.406 2.533 20 0 FFADLM Cc1ccc2ncc(C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)c(O)c2c1 ZINC000374945043 513084302 /nfs/dbraw/zinc/08/43/02/513084302.db2.gz LHOFHRYBJLQAQG-OAHLLOKOSA-N -1 2 364.449 2.665 20 0 FFADLM O=C([O-])[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000417793403 513210794 /nfs/dbraw/zinc/21/07/94/513210794.db2.gz PACDYGTUVZGXIC-VIFPVBQESA-N -1 2 366.830 2.609 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000436475661 513864973 /nfs/dbraw/zinc/86/49/73/513864973.db2.gz HMZHRJCUSMRUOH-UHFFFAOYSA-N -1 2 364.423 2.688 20 0 FFADLM O=c1[nH]nc(CCCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)[nH]1 ZINC000444079075 514116935 /nfs/dbraw/zinc/11/69/35/514116935.db2.gz XDFLDFPAVROZLZ-UHFFFAOYSA-N -1 2 371.253 3.380 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000444420813 514225024 /nfs/dbraw/zinc/22/50/24/514225024.db2.gz SSKWJDXKHBFVPW-UHFFFAOYSA-N -1 2 357.391 2.505 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1 ZINC000444420813 514225031 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COC(=O)c1sccc1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000548205127 516824996 /nfs/dbraw/zinc/82/49/96/516824996.db2.gz GKIGNWZVBSNDLN-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1ccc(OC)c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000548534120 517038728 /nfs/dbraw/zinc/03/87/28/517038728.db2.gz QBWZDPCDEVGLHR-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000534401544 517881498 /nfs/dbraw/zinc/88/14/98/517881498.db2.gz OXIJQHPWONJXRU-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c(Cl)c1 ZINC000534792048 518034305 /nfs/dbraw/zinc/03/43/05/518034305.db2.gz FGENQYIQPFOUOG-UHFFFAOYSA-N -1 2 369.708 2.581 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000534971996 518102516 /nfs/dbraw/zinc/10/25/16/518102516.db2.gz KURMAXIDZZLJJV-UHFFFAOYSA-N -1 2 356.400 2.967 20 0 FFADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3csc(C(=O)[O-])c3)cccc21 ZINC000564811962 518627269 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ZINC000800837124 740553734 /nfs/dbraw/zinc/55/37/34/740553734.db2.gz OVUVLBDUFCQZGJ-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)C1 ZINC001594917568 954772641 /nfs/dbraw/zinc/77/26/41/954772641.db2.gz PGYROQMZXYUROL-HUUCEWRRSA-N -1 2 358.442 2.683 20 0 FFADLM COc1ccc(-c2cc3[nH]c(CSCC(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071331 958187204 /nfs/dbraw/zinc/18/72/04/958187204.db2.gz UFKUURUMEHLNEB-UHFFFAOYSA-N -1 2 362.432 2.978 20 0 FFADLM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000393096567 972562431 /nfs/dbraw/zinc/56/24/31/972562431.db2.gz MHZRLRVGPORFHZ-UHFFFAOYSA-N -1 2 367.402 2.566 20 0 FFADLM CN(C)c1ccc(CCC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000909864086 981749745 /nfs/dbraw/zinc/74/97/45/981749745.db2.gz YEJIFXDKKFUDBO-JOCHJYFZSA-N -1 2 366.461 2.940 20 0 FFADLM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cncc(SC)c1 ZINC001597076147 986608688 /nfs/dbraw/zinc/60/86/88/986608688.db2.gz 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356.242 2.590 20 0 FFADLM COC(=O)[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccc(F)cc1 ZINC001234331274 1036989932 /nfs/dbraw/zinc/98/99/32/1036989932.db2.gz CWVMVOJODXQAEG-CQSZACIVSA-N -1 2 356.242 2.590 20 0 FFADLM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)ncc2O)N1CC(F)(F)F ZINC001278055868 1038448853 /nfs/dbraw/zinc/44/88/53/1038448853.db2.gz JSRLQTFSRDWDCS-GHMZBOCLSA-N -1 2 363.767 2.568 20 0 FFADLM O=c1cc(-c2ccc(Cl)nc2)[nH]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245948448 1039155756 /nfs/dbraw/zinc/15/57/56/1039155756.db2.gz DZNDHOAJKFUTAO-UHFFFAOYSA-N -1 2 351.771 2.540 20 0 FFADLM CCc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001260183974 1040442267 /nfs/dbraw/zinc/44/22/67/1040442267.db2.gz LMXVMFKTFZHWKG-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnc3cccc(O)c3c2)c1 ZINC001260209707 1040464505 /nfs/dbraw/zinc/46/45/05/1040464505.db2.gz DDWFVLCULVSUHB-UHFFFAOYSA-N -1 2 362.338 2.579 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n(C)n2)cc1 ZINC001260223180 1040473494 /nfs/dbraw/zinc/47/34/94/1040473494.db2.gz GWZKMKKXQICTLY-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM CC(=O)c1cccc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3O)n2)c1 ZINC001215454435 1041789140 /nfs/dbraw/zinc/78/91/40/1041789140.db2.gz ZRWGDQLPNJQNJX-UHFFFAOYSA-N -1 2 360.347 2.559 20 0 FFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001324179539 1045905758 /nfs/dbraw/zinc/90/57/58/1045905758.db2.gz YNIVANYHABCRHR-UHFFFAOYSA-N -1 2 361.206 2.816 20 0 FFADLM O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cncc(O)c1 ZINC001344904426 1052117796 /nfs/dbraw/zinc/11/77/96/1052117796.db2.gz QARILRWHTKBPMJ-UHFFFAOYSA-N -1 2 351.410 2.902 20 0 FFADLM CCCC[C@H](C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001577430928 1078357367 /nfs/dbraw/zinc/35/73/67/1078357367.db2.gz IRMABIFAEAVSQQ-SFHVURJKSA-N -1 2 370.501 2.630 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288220017 257161943 /nfs/dbraw/zinc/16/19/43/257161943.db2.gz MNPFPVCSYBBZJM-UHFFFAOYSA-N -1 2 356.425 2.774 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000321265391 258116009 /nfs/dbraw/zinc/11/60/09/258116009.db2.gz GKWIEDPATJZLJU-UHFFFAOYSA-N -1 2 350.377 2.902 20 0 FFADLM C[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000145816923 508847389 /nfs/dbraw/zinc/84/73/89/508847389.db2.gz QNNOHAKBPJDQHT-LLVKDONJSA-N -1 2 364.379 2.659 20 0 FFADLM CC[NH+]1CCC(NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)CC1 ZINC000155191383 508944111 /nfs/dbraw/zinc/94/41/11/508944111.db2.gz GGDGTFHTPKXQKI-UHFFFAOYSA-N -1 2 356.470 2.915 20 0 FFADLM COc1ccc(O)c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000184854654 510549341 /nfs/dbraw/zinc/54/93/41/510549341.db2.gz LYWNJTPZYUYVFT-UHFFFAOYSA-N -1 2 367.405 2.950 20 0 FFADLM C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)C[C@@H]1C ZINC000175255354 510554980 /nfs/dbraw/zinc/55/49/80/510554980.db2.gz JLNHKAUSIBKSKC-QWHCGFSZSA-N -1 2 362.857 2.726 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000181722620 510559266 /nfs/dbraw/zinc/55/92/66/510559266.db2.gz SHNZMEFGNKURJW-UHFFFAOYSA-N -1 2 365.455 2.584 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000322756878 511825780 /nfs/dbraw/zinc/82/57/80/511825780.db2.gz FKENTAKFJWTHFQ-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CC(C)Oc1c(NS(=O)(=O)c2cnn(C(C)C)c2)cccc1C(=O)[O-] ZINC000281983359 512037001 /nfs/dbraw/zinc/03/70/01/512037001.db2.gz MEUHYGAGYNLGOF-UHFFFAOYSA-N -1 2 367.427 2.750 20 0 FFADLM C[C@H]1CN(C(=O)C2=NN(c3ccccc3)CC2=O)CC[N@@H+](C2CCC2)C1 ZINC000293733102 512066952 /nfs/dbraw/zinc/06/69/52/512066952.db2.gz QPBGWTCOACRTRE-OAHLLOKOSA-N -1 2 354.454 2.524 20 0 FFADLM Cc1cc(=NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]nc1C ZINC000376808420 512995359 /nfs/dbraw/zinc/99/53/59/512995359.db2.gz MWHYVSNWSFUYSL-NRFANRHFSA-N -1 2 365.481 3.223 20 0 FFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000436190849 513789877 /nfs/dbraw/zinc/78/98/77/513789877.db2.gz ODDFMRTYLAUSFQ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000436890016 514020853 /nfs/dbraw/zinc/02/08/53/514020853.db2.gz ASUJOUMJRBUQGG-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM Cc1cc(C)c(-c2cc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)[nH]n2)cc1C ZINC000444421446 514225182 /nfs/dbraw/zinc/22/51/82/514225182.db2.gz UPIIFLBRUKGTCA-UHFFFAOYSA-N -1 2 374.422 2.829 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000444422424 514225272 /nfs/dbraw/zinc/22/52/72/514225272.db2.gz YBYXLHINQMGMHH-UHFFFAOYSA-N -1 2 357.391 2.884 20 0 FFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 ZINC000444423401 514225939 /nfs/dbraw/zinc/22/59/39/514225939.db2.gz JJLRNMGVXKBWCW-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cn1 ZINC000507967601 514626943 /nfs/dbraw/zinc/62/69/43/514626943.db2.gz QIPDGGWPYFSXJX-UHFFFAOYSA-N -1 2 350.396 2.676 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cncc(F)c2)c(SCCC(=O)[O-])c1 ZINC000484497651 514667803 /nfs/dbraw/zinc/66/78/03/514667803.db2.gz CXWMAELSYCFWCS-UHFFFAOYSA-N -1 2 370.427 2.897 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c(Cl)cc1F ZINC000471111763 514757970 /nfs/dbraw/zinc/75/79/70/514757970.db2.gz DTLVAXJPOIFJAE-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000471123932 514762833 /nfs/dbraw/zinc/76/28/33/514762833.db2.gz UXYSXXXTHFAZSM-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM Cc1nn(C)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000489412181 514834760 /nfs/dbraw/zinc/83/47/60/514834760.db2.gz WMWBUCCOLWYRJU-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C)ccc2F)c1OC ZINC000467299955 514969273 /nfs/dbraw/zinc/96/92/73/514969273.db2.gz OJUAPQSMZQKGMR-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000467759162 515106088 /nfs/dbraw/zinc/10/60/88/515106088.db2.gz LZMGMDMWIOUPTI-UHFFFAOYSA-N -1 2 365.285 2.811 20 0 FFADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000510121754 515442292 /nfs/dbraw/zinc/44/22/92/515442292.db2.gz XRUZOULIVSRNRE-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000477437710 515456915 /nfs/dbraw/zinc/45/69/15/515456915.db2.gz VIGPRFMLFXUARY-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CC1(C)C[N@H+](Cc2cccc(O)c2Br)C[C@@]2(CCOC2)O1 ZINC000459530660 515624632 /nfs/dbraw/zinc/62/46/32/515624632.db2.gz PVDQVQXHMHCXSO-MRXNPFEDSA-N -1 2 356.260 2.925 20 0 FFADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000478669725 515916398 /nfs/dbraw/zinc/91/63/98/515916398.db2.gz APWNLFBEXIKAKD-SECBINFHSA-N -1 2 353.375 2.628 20 0 FFADLM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000547541521 516398335 /nfs/dbraw/zinc/39/83/35/516398335.db2.gz BQGMKJOLPQUNNR-UHFFFAOYSA-N -1 2 354.746 2.850 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1F ZINC000540696965 516674039 /nfs/dbraw/zinc/67/40/39/516674039.db2.gz BEOALKHISONVPO-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cn(CC(C)C)cn1 ZINC000548205319 516824969 /nfs/dbraw/zinc/82/49/69/516824969.db2.gz SLGCKHBVUKWEIR-UHFFFAOYSA-N -1 2 351.428 2.655 20 0 FFADLM CCc1ncc(S(=O)(=O)Nc2c(C)cc(OC)cc2C(=O)[O-])s1 ZINC000548230227 516839670 /nfs/dbraw/zinc/83/96/70/516839670.db2.gz HHGMUSTWWKUGEM-UHFFFAOYSA-N -1 2 356.425 2.522 20 0 FFADLM CC1(c2nc(=NC(=O)c3cccc(Br)c3[O-])s[nH]2)CC1 ZINC000529699588 517289919 /nfs/dbraw/zinc/28/99/19/517289919.db2.gz SXXOVNUXLCYLJJ-UHFFFAOYSA-N -1 2 354.229 2.732 20 0 FFADLM CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000533168768 517322942 /nfs/dbraw/zinc/32/29/42/517322942.db2.gz LCVNNPIWWLDFCP-UHFFFAOYSA-N -1 2 364.423 2.923 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000533442156 517463624 /nfs/dbraw/zinc/46/36/24/517463624.db2.gz ORAVHLFIHKGKLZ-UHFFFAOYSA-N -1 2 357.457 2.861 20 0 FFADLM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000520679303 517477207 /nfs/dbraw/zinc/47/72/07/517477207.db2.gz UBOIXEHVBYZRME-UHFFFAOYSA-N -1 2 374.827 2.859 20 0 FFADLM Cc1scnc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000530140397 517585715 /nfs/dbraw/zinc/58/57/15/517585715.db2.gz JPZGXLWMEQNZPB-UHFFFAOYSA-N -1 2 374.415 2.635 20 0 FFADLM Cc1scnc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000530140307 517586159 /nfs/dbraw/zinc/58/61/59/517586159.db2.gz HSLFSJRXNNLDBK-UHFFFAOYSA-N -1 2 354.453 2.805 20 0 FFADLM Cc1ccn2cc(CNS(=O)(=O)c3cc(F)c(F)cc3F)[nH+]c2c1 ZINC000521558507 517776123 /nfs/dbraw/zinc/77/61/23/517776123.db2.gz VCYVIDWTBNLWEE-UHFFFAOYSA-N -1 2 355.341 2.539 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000530868332 518022418 /nfs/dbraw/zinc/02/24/18/518022418.db2.gz XKXREYJXYGZYPQ-UHFFFAOYSA-N -1 2 350.396 2.514 20 0 FFADLM CCOC(=O)c1ncc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)[nH]1 ZINC000585730515 518578268 /nfs/dbraw/zinc/57/82/68/518578268.db2.gz WFUGZYUYCVUXCE-UHFFFAOYSA-N -1 2 367.358 2.581 20 0 FFADLM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000737269922 599813856 /nfs/dbraw/zinc/81/38/56/599813856.db2.gz KZWZMZLRIHBMPO-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM Cc1nc(NS(=O)(=O)c2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000738363092 600054633 /nfs/dbraw/zinc/05/46/33/600054633.db2.gz CDBNFVHEQXZSEI-UHFFFAOYSA-N -1 2 350.780 2.743 20 0 FFADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737868070 600233778 /nfs/dbraw/zinc/23/37/78/600233778.db2.gz PYUHYWVYRYULCH-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cn1ccc2c1cccc2NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739038305 600235389 /nfs/dbraw/zinc/23/53/89/600235389.db2.gz CNCTZAJQWNVEEV-UHFFFAOYSA-N -1 2 366.345 2.956 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000739890275 600245042 /nfs/dbraw/zinc/24/50/42/600245042.db2.gz YROPZSMHKMASOV-UHFFFAOYSA-N -1 2 366.464 2.840 20 0 FFADLM Cc1[nH]c(C(O)=CS(=O)(=O)Cc2c(C)cccc2C)c(C)c1C(=O)[O-] ZINC000738308004 600470591 /nfs/dbraw/zinc/47/05/91/600470591.db2.gz NEBFZSXMNXJCIK-UHFFFAOYSA-N -1 2 363.435 2.744 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738373853 600612965 /nfs/dbraw/zinc/61/29/65/600612965.db2.gz CSRSGZBLHLSLEW-UHFFFAOYSA-N -1 2 366.443 2.996 20 0 FFADLM Cc1oc(CN(C)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1C(=O)[O-] ZINC000833025732 601386497 /nfs/dbraw/zinc/38/64/97/601386497.db2.gz RGENYQASGZGIEC-UHFFFAOYSA-N -1 2 373.340 2.589 20 0 FFADLM CC(C)c1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000827168722 601503430 /nfs/dbraw/zinc/50/34/30/601503430.db2.gz UXSZAZCJHAGCCY-VMPITWQZSA-N -1 2 353.425 2.560 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cc(F)ccc2F)n1 ZINC000390926436 601772316 /nfs/dbraw/zinc/77/23/16/601772316.db2.gz JAPLRXYTHYEMLQ-UHFFFAOYSA-N -1 2 362.379 2.629 20 0 FFADLM CC(C)n1ncc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000827207489 601839584 /nfs/dbraw/zinc/83/95/84/601839584.db2.gz STMIEVZEKOVIIP-UHFFFAOYSA-N -1 2 366.424 2.573 20 0 FFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000833293659 601856603 /nfs/dbraw/zinc/85/66/03/601856603.db2.gz FLBYOJWXIUHYCS-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1F ZINC000832887337 601881677 /nfs/dbraw/zinc/88/16/77/601881677.db2.gz RCSHXBXFCHNXNQ-UHFFFAOYSA-N -1 2 367.333 2.649 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cn1 ZINC000738886254 603229986 /nfs/dbraw/zinc/22/99/86/603229986.db2.gz JZWCCNMAAGKRGP-UHFFFAOYSA-N -1 2 364.427 2.695 20 0 FFADLM O=C([O-])Nc1ccc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c(O)c1 ZINC000832838738 603935236 /nfs/dbraw/zinc/93/52/36/603935236.db2.gz LVGZVTKHUQEHMB-UHFFFAOYSA-N -1 2 370.365 2.654 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cn1 ZINC000833494308 605151505 /nfs/dbraw/zinc/15/15/05/605151505.db2.gz NEPUYEHQPYBLPE-UHFFFAOYSA-N -1 2 374.422 2.586 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC ZINC000007230592 727791060 /nfs/dbraw/zinc/79/10/60/727791060.db2.gz VACZJHGZJWNIRQ-UHFFFAOYSA-N -1 2 369.370 2.732 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cc1C(=O)[O-] ZINC000194225928 729504108 /nfs/dbraw/zinc/50/41/08/729504108.db2.gz DBIIXMDMTQDHKH-UHFFFAOYSA-N -1 2 366.443 2.627 20 0 FFADLM CCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000325035501 729758108 /nfs/dbraw/zinc/75/81/08/729758108.db2.gz KPTHRVOMZCJHTE-UHFFFAOYSA-N -1 2 352.412 2.796 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(O)c2)c(F)c(Cl)c1F ZINC000779825473 738487713 /nfs/dbraw/zinc/48/77/13/738487713.db2.gz UPAUHOOKZADZRI-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000647128633 730718056 /nfs/dbraw/zinc/71/80/56/730718056.db2.gz LFVPKGHBKZIWIC-UHFFFAOYSA-N -1 2 355.391 2.654 20 0 FFADLM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777907781 738330245 /nfs/dbraw/zinc/33/02/45/738330245.db2.gz AXYPSUJDJRNLMI-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C1CCCCC1 ZINC000882739820 733284480 /nfs/dbraw/zinc/28/44/80/733284480.db2.gz OGBYUQPYQDFKQI-JOCHJYFZSA-N -1 2 368.427 2.758 20 0 FFADLM CCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1CC(C)C ZINC000677417688 733944252 /nfs/dbraw/zinc/94/42/52/733944252.db2.gz NLDCWTGLICRWJJ-UHFFFAOYSA-N -1 2 371.484 2.970 20 0 FFADLM CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000794759274 739926823 /nfs/dbraw/zinc/92/68/23/739926823.db2.gz IOXZIWGQKFMURM-UHFFFAOYSA-N -1 2 367.354 2.501 20 0 FFADLM CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000794593091 739908108 /nfs/dbraw/zinc/90/81/08/739908108.db2.gz HCYNMTLWSXHODP-UHFFFAOYSA-N -1 2 369.830 2.828 20 0 FFADLM C[C@@H](O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000795380386 740013035 /nfs/dbraw/zinc/01/30/35/740013035.db2.gz KUCAOAMGTXZSOQ-MRVPVSSYSA-N -1 2 357.334 2.517 20 0 FFADLM CCn1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058493921 845397225 /nfs/dbraw/zinc/39/72/25/845397225.db2.gz DFYBOCJNFDJJBS-UHFFFAOYSA-N -1 2 364.210 2.709 20 0 FFADLM Cc1cc(C)n(-c2ccc(CNc3ccc([P@@](=O)([O-])O)cc3)cc2)n1 ZINC001167799802 975484765 /nfs/dbraw/zinc/48/47/65/975484765.db2.gz HLIRLMRWMQHAHM-UHFFFAOYSA-N -1 2 357.350 2.904 20 0 FFADLM Cc1cc(C)n(-c2ccc(CNc3ccc([P@](=O)([O-])O)cc3)cc2)n1 ZINC001167799802 975484771 /nfs/dbraw/zinc/48/47/71/975484771.db2.gz HLIRLMRWMQHAHM-UHFFFAOYSA-N -1 2 357.350 2.904 20 0 FFADLM C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001076749936 979844772 /nfs/dbraw/zinc/84/47/72/979844772.db2.gz SNAQPUWVPNPNKP-XHBKTUGNSA-N -1 2 360.841 2.582 20 0 FFADLM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC001594853404 982112579 /nfs/dbraw/zinc/11/25/79/982112579.db2.gz UUWVSNXYPZNHHU-NSHDSACASA-N -1 2 361.288 2.672 20 0 FFADLM CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001597530814 988189155 /nfs/dbraw/zinc/18/91/55/988189155.db2.gz PXCQMOMCLNWIGO-UHFFFAOYSA-N -1 2 371.846 2.547 20 0 FFADLM CSc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])n2)cc1Cl ZINC001599821181 988516846 /nfs/dbraw/zinc/51/68/46/988516846.db2.gz MHMNLNJHGAXYIC-UHFFFAOYSA-N -1 2 372.855 2.885 20 0 FFADLM CC(C)(C)c1nc2cc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2[nH]1 ZINC001590545935 990186628 /nfs/dbraw/zinc/18/66/28/990186628.db2.gz WLFQYZPECIYOQD-UHFFFAOYSA-N -1 2 362.411 2.688 20 0 FFADLM COc1ccccc1C[C@@H](CNC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001599710957 991369487 /nfs/dbraw/zinc/36/94/87/991369487.db2.gz XRFKKZJDYCVBNE-LBPRGKRZSA-N -1 2 363.797 2.728 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598537919 992861262 /nfs/dbraw/zinc/86/12/62/992861262.db2.gz RIOQYZLJMQDAJI-UHFFFAOYSA-N -1 2 361.354 2.506 20 0 FFADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599418883 997558583 /nfs/dbraw/zinc/55/85/83/997558583.db2.gz PRGNGZPOQNRMJJ-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000794332727 1003610569 /nfs/dbraw/zinc/61/05/69/1003610569.db2.gz XPOLPYUAPHGXLZ-ZYHUDNBSSA-N -1 2 360.414 2.574 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)ncn1C ZINC001196075870 1003663244 /nfs/dbraw/zinc/66/32/44/1003663244.db2.gz VGLQGRFTZNPKEY-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM COCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000827850780 1018783397 /nfs/dbraw/zinc/78/33/97/1018783397.db2.gz QUFKZPLWSOQRAW-CJNGLKHVSA-N -1 2 374.403 2.601 20 0 FFADLM COCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC001122357219 1023213868 /nfs/dbraw/zinc/21/38/68/1023213868.db2.gz FLQXYPQKDJKXFX-NSHDSACASA-N -1 2 367.885 2.626 20 0 FFADLM O=C(NC1CC[NH+](Cc2cc(F)cc3c2OCCC3)CC1)C(F)(F)F ZINC001236629166 1038163347 /nfs/dbraw/zinc/16/33/47/1038163347.db2.gz ICBKULHZEQBQQI-UHFFFAOYSA-N -1 2 360.351 2.794 20 0 FFADLM Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1O ZINC001278692409 1039927635 /nfs/dbraw/zinc/92/76/35/1039927635.db2.gz NZGSAQIVPDVVGP-GJZGRUSLSA-N -1 2 361.442 2.785 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2F)cc1 ZINC001260222040 1040473977 /nfs/dbraw/zinc/47/39/77/1040473977.db2.gz IKHVOXHASFLMIG-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1C(=O)NC(=O)OC(C)(C)C ZINC001237418106 1043150342 /nfs/dbraw/zinc/15/03/42/1043150342.db2.gz OGIWEVKMOGQIGJ-INIZCTEOSA-N -1 2 361.442 2.661 20 0 FFADLM O=C([O-])[C@@H](NC(=O)C(F)C(F)(F)F)c1ccccc1Br ZINC001601665027 1058177013 /nfs/dbraw/zinc/17/70/13/1058177013.db2.gz SBXATERGUSHYAY-YUMQZZPRSA-N -1 2 358.085 2.591 20 0 FFADLM O=C([O-])[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1Br ZINC001601665027 1058177016 /nfs/dbraw/zinc/17/70/16/1058177016.db2.gz SBXATERGUSHYAY-YUMQZZPRSA-N -1 2 358.085 2.591 20 0 FFADLM CSc1c(F)cccc1[N-]C(=O)c1cc(S(N)(=O)=O)oc1Cl ZINC001584297949 1079336091 /nfs/dbraw/zinc/33/60/91/1079336091.db2.gz HDRUQYSJIKLBJM-UHFFFAOYSA-N -1 2 364.807 2.694 20 0 FFADLM C=Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001588921267 1080266616 /nfs/dbraw/zinc/26/66/16/1080266616.db2.gz DXAWHCDUQMYMKO-LLVKDONJSA-N -1 2 364.448 2.776 20 0 FFADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013278799 220062948 /nfs/dbraw/zinc/06/29/48/220062948.db2.gz OEERHRUPKDWLCU-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000272443139 252040026 /nfs/dbraw/zinc/04/00/26/252040026.db2.gz UGJZCADBYWSCQM-UHFFFAOYSA-N -1 2 371.365 2.643 20 0 FFADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145802484 508846971 /nfs/dbraw/zinc/84/69/71/508846971.db2.gz CYKRMWQBPMXZBQ-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000181701929 510547548 /nfs/dbraw/zinc/54/75/48/510547548.db2.gz BKJDJGWCZWIRQI-UHFFFAOYSA-N -1 2 365.455 2.963 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000266591236 510677414 /nfs/dbraw/zinc/67/74/14/510677414.db2.gz ODZOICVSLUKGGA-UHFFFAOYSA-N -1 2 357.819 2.692 20 0 FFADLM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4[nH]nnc4c3)nc21 ZINC000294275581 511010729 /nfs/dbraw/zinc/01/07/29/511010729.db2.gz SVXDLWPJETURRE-JTQLQIEISA-N -1 2 371.422 2.650 20 0 FFADLM CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000319981859 511812784 /nfs/dbraw/zinc/81/27/84/511812784.db2.gz FOGZVZPCIUGLLS-UHFFFAOYSA-N -1 2 354.409 2.596 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000322791781 511825865 /nfs/dbraw/zinc/82/58/65/511825865.db2.gz PCDFRXKYLYOXBQ-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000327478942 511877236 /nfs/dbraw/zinc/87/72/36/511877236.db2.gz VYZZNOOXAAGJAW-UHFFFAOYSA-N -1 2 367.354 2.501 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])s1 ZINC000281886145 512000050 /nfs/dbraw/zinc/00/00/50/512000050.db2.gz OJMASXXFICNNDD-UHFFFAOYSA-N -1 2 354.453 2.968 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)sc1C(=O)[O-] ZINC000383693422 512882128 /nfs/dbraw/zinc/88/21/28/512882128.db2.gz FSDHNADZARKJNZ-UHFFFAOYSA-N -1 2 353.421 2.881 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c(F)c1 ZINC000393044444 512930347 /nfs/dbraw/zinc/93/03/47/512930347.db2.gz FINDDUDGDSAYAR-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000396422423 512942116 /nfs/dbraw/zinc/94/21/16/512942116.db2.gz IYBJYLSBJCVSNE-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM COc1cc(SC)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000446622350 513298604 /nfs/dbraw/zinc/29/86/04/513298604.db2.gz FLLTYTIOQZGKEL-UHFFFAOYSA-N -1 2 359.450 2.978 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000451081756 513503666 /nfs/dbraw/zinc/50/36/66/513503666.db2.gz FAIWFHGEKSACSX-UHFFFAOYSA-N -1 2 363.439 2.598 20 0 FFADLM C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447999067 513652848 /nfs/dbraw/zinc/65/28/48/513652848.db2.gz IVOFMASKQCDHIA-GFCCVEGCSA-N -1 2 365.528 2.930 20 0 FFADLM C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(O)ccc1Br)C[C@@H](C)O2 ZINC000448362338 513743463 /nfs/dbraw/zinc/74/34/63/513743463.db2.gz LVOGKGODBXBPFW-BFQNTYOBSA-N -1 2 356.260 2.923 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000436495377 513872555 /nfs/dbraw/zinc/87/25/55/513872555.db2.gz KBJZMLZQZOAUGO-UHFFFAOYSA-N -1 2 351.355 2.908 20 0 FFADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000436612494 513918329 /nfs/dbraw/zinc/91/83/29/513918329.db2.gz YPWQIFUHXVTLEQ-UHFFFAOYSA-N -1 2 369.420 2.854 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000436699275 513948087 /nfs/dbraw/zinc/94/80/87/513948087.db2.gz TVVNFPCDFIBVGW-UHFFFAOYSA-N -1 2 357.771 2.559 20 0 FFADLM O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436983607 514062450 /nfs/dbraw/zinc/06/24/50/514062450.db2.gz XSIZVJVVRYYYSA-UHFFFAOYSA-N -1 2 350.762 2.772 20 0 FFADLM Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000436998162 514070412 /nfs/dbraw/zinc/07/04/12/514070412.db2.gz XWYIVONQYLKEDT-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM Cc1nn(C)c(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])c1C(F)F ZINC000414382141 514081243 /nfs/dbraw/zinc/08/12/43/514081243.db2.gz NVGCNZLYXFQSPO-UHFFFAOYSA-N -1 2 373.381 2.782 20 0 FFADLM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O ZINC000421143957 514502653 /nfs/dbraw/zinc/50/26/53/514502653.db2.gz BEODRHHVVUBUJO-MRXNPFEDSA-N -1 2 363.435 2.594 20 0 FFADLM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433500279 514504828 /nfs/dbraw/zinc/50/48/28/514504828.db2.gz HEDMBTVWZTVDFX-UHFFFAOYSA-N -1 2 373.333 2.801 20 0 FFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1c(C)cccc1F ZINC000479490198 514604222 /nfs/dbraw/zinc/60/42/22/514604222.db2.gz SIESMTQNGPVXND-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000484577557 514700084 /nfs/dbraw/zinc/70/00/84/514700084.db2.gz UHHRGRJUENKTQV-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000475734444 514783766 /nfs/dbraw/zinc/78/37/66/514783766.db2.gz OPSNDWQJWZYXNU-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000481468094 515338072 /nfs/dbraw/zinc/33/80/72/515338072.db2.gz RKDKQMKEMSWXSY-UHFFFAOYSA-N -1 2 370.814 2.611 20 0 FFADLM COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)n1 ZINC000459406990 515530400 /nfs/dbraw/zinc/53/04/00/515530400.db2.gz OYFMYFYTCZOAQY-NSHDSACASA-N -1 2 367.409 2.969 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000460833459 516262128 /nfs/dbraw/zinc/26/21/28/516262128.db2.gz XNGILAVVDWQBTD-UHFFFAOYSA-N -1 2 367.326 2.988 20 0 FFADLM Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000531194206 516341841 /nfs/dbraw/zinc/34/18/41/516341841.db2.gz LVNLGURFTUTXOJ-UHFFFAOYSA-N -1 2 365.407 2.987 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000547541956 516397280 /nfs/dbraw/zinc/39/72/80/516397280.db2.gz XEROSYLTGMTQBX-UHFFFAOYSA-N -1 2 355.391 2.719 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1C(=O)[O-] ZINC000540293832 516503360 /nfs/dbraw/zinc/50/33/60/516503360.db2.gz ZABALUXWTFUOHB-UHFFFAOYSA-N -1 2 371.374 2.819 20 0 FFADLM O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1c[nH]nc1-c1ccccn1 ZINC000554968333 516724992 /nfs/dbraw/zinc/72/49/92/516724992.db2.gz SDRBZVMTIUCKTB-UHFFFAOYSA-N -1 2 372.432 2.689 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)sc1C ZINC000538014008 517439831 /nfs/dbraw/zinc/43/98/31/517439831.db2.gz NIMKVVNVKPCCSH-UHFFFAOYSA-N -1 2 369.420 2.635 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c2ncccc12 ZINC000546022341 517495777 /nfs/dbraw/zinc/49/57/77/517495777.db2.gz VKUSHEDISAHEHR-UHFFFAOYSA-N -1 2 362.363 2.644 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000542735442 517709341 /nfs/dbraw/zinc/70/93/41/517709341.db2.gz REYRKTQKUJKNJI-SNVBAGLBSA-N -1 2 355.437 2.821 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)cc1C(=O)[O-] ZINC000572637747 518288714 /nfs/dbraw/zinc/28/87/14/518288714.db2.gz VBGNENCKLAXFEM-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cscn2)[C@@H]1c1ccc(Cl)cc1 ZINC000572873742 518402656 /nfs/dbraw/zinc/40/26/56/518402656.db2.gz DQGGYXZZYCLPGT-OCCSQVGLSA-N -1 2 357.888 2.520 20 0 FFADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000576091502 518424532 /nfs/dbraw/zinc/42/45/32/518424532.db2.gz SHQCXCCUVVDPIJ-LBPRGKRZSA-N -1 2 363.439 2.896 20 0 FFADLM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000582121899 518599138 /nfs/dbraw/zinc/59/91/38/518599138.db2.gz OAPDTBSVNVZVQY-SSDOTTSWSA-N -1 2 362.607 2.745 20 0 FFADLM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c2ccccc2n1C ZINC000582895913 518973845 /nfs/dbraw/zinc/97/38/45/518973845.db2.gz VWUAEMBRLWVBLT-UHFFFAOYSA-N -1 2 360.391 2.691 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)s[nH]1 ZINC000630566805 522937255 /nfs/dbraw/zinc/93/72/55/522937255.db2.gz BKVYBTHOPMHWIH-ZJUUUORDSA-N -1 2 366.468 2.571 20 0 FFADLM C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC000625249227 523289720 /nfs/dbraw/zinc/28/97/20/523289720.db2.gz FEPGOQPUTJEZTE-NSHDSACASA-N -1 2 354.859 2.886 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1 ZINC000738277249 599966316 /nfs/dbraw/zinc/96/63/16/599966316.db2.gz SACKRUMNDYBZLW-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM O=C([O-])Cc1csc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000314315482 600051171 /nfs/dbraw/zinc/05/11/71/600051171.db2.gz OWQQKOUAHBNOEN-WAYWQWQTSA-N -1 2 358.828 2.836 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)ccc1F ZINC000738678858 601327341 /nfs/dbraw/zinc/32/73/41/601327341.db2.gz OTWIMDOJNUFWCD-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833023358 601363096 /nfs/dbraw/zinc/36/30/96/601363096.db2.gz ZKRIOXPGOADNJK-UHFFFAOYSA-N -1 2 359.429 2.544 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cnc1Cl ZINC000832898145 601576747 /nfs/dbraw/zinc/57/67/47/601576747.db2.gz CBDSEPXOKYDREO-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)ccc1C(=O)[O-] ZINC000832904603 602101667 /nfs/dbraw/zinc/10/16/67/602101667.db2.gz UXWNOYUDVVFPRS-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM CN(Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1)C(=O)[O-] ZINC000739713657 602655203 /nfs/dbraw/zinc/65/52/03/602655203.db2.gz QAIXVNBYXCLJNV-UHFFFAOYSA-N -1 2 356.350 2.875 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1F ZINC000833750973 604760038 /nfs/dbraw/zinc/76/00/38/604760038.db2.gz KCBFHPZQBDKCAU-UHFFFAOYSA-N -1 2 356.400 2.967 20 0 FFADLM Cn1ccc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc21 ZINC000179243259 729181182 /nfs/dbraw/zinc/18/11/82/729181182.db2.gz PAGQJKUHOWIZER-UHFFFAOYSA-N -1 2 366.345 2.956 20 0 FFADLM Cc1n[nH]c2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc12 ZINC000180356245 729212061 /nfs/dbraw/zinc/21/20/61/729212061.db2.gz XBYWZQYAPQFLOC-UHFFFAOYSA-N -1 2 367.333 2.649 20 0 FFADLM CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)CC1 ZINC000242772898 729567873 /nfs/dbraw/zinc/56/78/73/729567873.db2.gz DSYOHOQJHJNMHQ-UHFFFAOYSA-N -1 2 365.524 2.999 20 0 FFADLM CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc3c(c(=O)[nH]1)COCC3)CCC2 ZINC000878273536 732507636 /nfs/dbraw/zinc/50/76/36/732507636.db2.gz ZILIIGMPVSVXDG-CQSZACIVSA-N -1 2 360.483 2.783 20 0 FFADLM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753771115 736093134 /nfs/dbraw/zinc/09/31/34/736093134.db2.gz SMJSBTRPKYJXCA-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(O)c1 ZINC000770636980 737648079 /nfs/dbraw/zinc/64/80/79/737648079.db2.gz YVASSJMHFLEPOC-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM COc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000775295748 738080756 /nfs/dbraw/zinc/08/07/56/738080756.db2.gz AWQGPWJNBUPLJY-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000790421685 739451998 /nfs/dbraw/zinc/45/19/98/739451998.db2.gz YQTYWILRSTVBPE-MRVPVSSYSA-N -1 2 373.381 2.940 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2CCO3)cc1C(=O)[O-] ZINC000794608163 739910455 /nfs/dbraw/zinc/91/04/55/739910455.db2.gz IIESLQHDWUJPKN-UHFFFAOYSA-N -1 2 351.355 2.568 20 0 FFADLM C[C@H](O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000795380387 740012938 /nfs/dbraw/zinc/01/29/38/740012938.db2.gz KUCAOAMGTXZSOQ-QMMMGPOBSA-N -1 2 357.334 2.517 20 0 FFADLM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000844661703 748068959 /nfs/dbraw/zinc/06/89/59/748068959.db2.gz USJOXSKEEKTCEY-NSHDSACASA-N -1 2 353.799 2.658 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c1C(=O)[O-] ZINC000326804682 971329521 /nfs/dbraw/zinc/32/95/21/971329521.db2.gz UGLIKODOFHQQEK-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccnc1C ZINC000390403760 972282410 /nfs/dbraw/zinc/28/24/10/972282410.db2.gz UMLGFXLADIANOM-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC001606320682 973739188 /nfs/dbraw/zinc/73/91/88/973739188.db2.gz SSAKVMXIRBHBCQ-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM CCCC[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001595637912 981937566 /nfs/dbraw/zinc/93/75/66/981937566.db2.gz YPGHZUWPNUUVNL-GFCCVEGCSA-N -1 2 351.790 2.605 20 0 FFADLM CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001595005116 982919316 /nfs/dbraw/zinc/91/93/16/982919316.db2.gz NLOOHNSNCMYXDM-NSHDSACASA-N -1 2 350.396 2.758 20 0 FFADLM Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151465469 984291576 /nfs/dbraw/zinc/29/15/76/984291576.db2.gz AIYOKHDNVMICLK-UHFFFAOYSA-N -1 2 352.394 2.882 20 0 FFADLM O=[P@@]([O-])(O)c1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1 ZINC001168378116 984329803 /nfs/dbraw/zinc/32/98/03/984329803.db2.gz TZGVMLJJKSPWQK-UHFFFAOYSA-N -1 2 373.267 2.846 20 0 FFADLM O=[P@]([O-])(O)c1ccc(NC2(c3ccc(C(F)(F)F)cc3)COC2)cc1 ZINC001168378116 984329808 /nfs/dbraw/zinc/32/98/08/984329808.db2.gz TZGVMLJJKSPWQK-UHFFFAOYSA-N -1 2 373.267 2.846 20 0 FFADLM Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1nnc(-c3ccccc3O)o1)C2 ZINC000879011795 1015323415 /nfs/dbraw/zinc/32/34/15/1015323415.db2.gz WFMHGUNTCOHLPW-UHFFFAOYSA-N -1 2 353.426 2.760 20 0 FFADLM CCc1cc(C2CC2)nc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001597471576 987936603 /nfs/dbraw/zinc/93/66/03/987936603.db2.gz VFGHMCHLUQKYTH-UHFFFAOYSA-N -1 2 361.423 2.557 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)s1 ZINC001597561863 988300550 /nfs/dbraw/zinc/30/05/50/988300550.db2.gz AJUYXEYASBLKMN-UHFFFAOYSA-N -1 2 360.482 2.930 20 0 FFADLM CCc1nc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)sc1C(=O)[O-] ZINC001597685724 988841484 /nfs/dbraw/zinc/84/14/84/988841484.db2.gz ZDTYDHKUAMWBPB-SNVBAGLBSA-N -1 2 373.283 2.729 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC001597785180 989301285 /nfs/dbraw/zinc/30/12/85/989301285.db2.gz BMGLMNUVOWJCKO-UHFFFAOYSA-N -1 2 361.322 2.628 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[nH]n1 ZINC001590363417 989823252 /nfs/dbraw/zinc/82/32/52/989823252.db2.gz YGJADQWOFVOQFL-UHFFFAOYSA-N -1 2 365.773 2.969 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001590363417 989823260 /nfs/dbraw/zinc/82/32/60/989823260.db2.gz YGJADQWOFVOQFL-UHFFFAOYSA-N -1 2 365.773 2.969 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599736245 991779365 /nfs/dbraw/zinc/77/93/65/991779365.db2.gz QEMVBABJDHXRAK-UHFFFAOYSA-N -1 2 374.777 2.690 20 0 FFADLM COC(=O)c1c(C)csc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001598912239 997391146 /nfs/dbraw/zinc/39/11/46/997391146.db2.gz QZCXNXXNGIQSAG-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccc1F ZINC001599459665 998249587 /nfs/dbraw/zinc/24/95/87/998249587.db2.gz MXWJXROFKIKWDO-UHFFFAOYSA-N -1 2 372.399 2.667 20 0 FFADLM O=[P@]([O-])(O)c1ccc(NC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC001170033403 1001214294 /nfs/dbraw/zinc/21/42/94/1001214294.db2.gz UYGSAPDHKJWBDV-ZDUSSCGKSA-N -1 2 362.149 2.942 20 0 FFADLM O=[P@@]([O-])(O)c1ccc(NC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC001170033403 1001214297 /nfs/dbraw/zinc/21/42/97/1001214297.db2.gz UYGSAPDHKJWBDV-ZDUSSCGKSA-N -1 2 362.149 2.942 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C ZINC001185876585 1003113368 /nfs/dbraw/zinc/11/33/68/1003113368.db2.gz WMAWYIXKHOUGMT-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197297453 1004153911 /nfs/dbraw/zinc/15/39/11/1004153911.db2.gz PFPNVIGPFBDPBF-CQSZACIVSA-N -1 2 356.474 2.875 20 0 FFADLM CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197297453 1004153914 /nfs/dbraw/zinc/15/39/14/1004153914.db2.gz PFPNVIGPFBDPBF-CQSZACIVSA-N -1 2 356.474 2.875 20 0 FFADLM CN(C)c1nc2c(s1)C[N@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001197440087 1004223895 /nfs/dbraw/zinc/22/38/95/1004223895.db2.gz VOVJXGRDATUOSZ-UHFFFAOYSA-N -1 2 367.478 2.930 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c(F)cc1F ZINC001195194047 1004914265 /nfs/dbraw/zinc/91/42/65/1004914265.db2.gz AAPNDNJARUKFOJ-UHFFFAOYSA-N -1 2 368.361 2.738 20 0 FFADLM Cn1c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc2ccccc21 ZINC001195202210 1004915523 /nfs/dbraw/zinc/91/55/23/1004915523.db2.gz STLLKOBXOXANSP-UHFFFAOYSA-N -1 2 366.345 2.956 20 0 FFADLM Cc1cn2c(cccc2NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188272688 1006495089 /nfs/dbraw/zinc/49/50/89/1006495089.db2.gz NGJVNOPSMBTGGC-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)c(O)c3)C2)OCC1=O ZINC001277154333 1034832072 /nfs/dbraw/zinc/83/20/72/1034832072.db2.gz ABIDDQBJMZJPRQ-SFHVURJKSA-N -1 2 352.862 2.649 20 0 FFADLM O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1ccc(F)c(O)c1F)C2 ZINC001232933221 1036167477 /nfs/dbraw/zinc/16/74/77/1036167477.db2.gz GLLNJCPUHYITRF-LJQANCHMSA-N -1 2 359.376 2.694 20 0 FFADLM O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001232970408 1036196815 /nfs/dbraw/zinc/19/68/15/1036196815.db2.gz RHJSTPTVHXJLQB-HNNXBMFYSA-N -1 2 373.403 2.704 20 0 FFADLM Cc1ccc(-n2nccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260184434 1040445257 /nfs/dbraw/zinc/44/52/57/1040445257.db2.gz LDMJXRGBVFKKKW-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccncn3)cs2)cc1 ZINC001260222096 1040472827 /nfs/dbraw/zinc/47/28/27/1040472827.db2.gz LENCMXAPUJWABI-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM COCCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001238145675 1043566970 /nfs/dbraw/zinc/56/69/70/1043566970.db2.gz MADSRGBIGGYHRJ-SFHVURJKSA-N -1 2 370.852 2.646 20 0 FFADLM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OCCOc3ccccc3)=N2)c1 ZINC001472341323 1065024226 /nfs/dbraw/zinc/02/42/26/1065024226.db2.gz ALTRLLOUURJBFH-UHFFFAOYSA-N -1 2 371.368 2.766 20 0 FFADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001589283764 1080464540 /nfs/dbraw/zinc/46/45/40/1080464540.db2.gz HXCBGLLZPMFZQI-UHFFFAOYSA-N -1 2 357.384 2.897 20 0 FFADLM C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001590194711 1081084978 /nfs/dbraw/zinc/08/49/78/1081084978.db2.gz YCZPGMOLUZGKHM-VIFPVBQESA-N -1 2 370.791 2.578 20 0 FFADLM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001590284155 1081140223 /nfs/dbraw/zinc/14/02/23/1081140223.db2.gz WVYGLXQJKAJSSW-BJOHPYRUSA-N -1 2 372.816 2.653 20 0 FFADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1CCC(C)C ZINC000276844910 256135978 /nfs/dbraw/zinc/13/59/78/256135978.db2.gz CVGYMUNSANBQMX-UHFFFAOYSA-N -1 2 369.443 2.892 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C2CC2)n(C)n1 ZINC000290559936 257341755 /nfs/dbraw/zinc/34/17/55/257341755.db2.gz RQULSFKCWHJOSZ-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc(F)cc(Cl)c1)CCC2 ZINC000371056543 512197959 /nfs/dbraw/zinc/19/79/59/512197959.db2.gz SUJSCJHEKWRFLT-LLVKDONJSA-N -1 2 357.838 2.840 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000067874394 507032846 /nfs/dbraw/zinc/03/28/46/507032846.db2.gz XILJTSDSWJAOMN-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000047312926 507306124 /nfs/dbraw/zinc/30/61/24/507306124.db2.gz UJLAQIFGLVBEBU-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1C(=O)[O-] ZINC000126933386 509149184 /nfs/dbraw/zinc/14/91/84/509149184.db2.gz XSBMWPHNSXTBKH-UHFFFAOYSA-N -1 2 350.396 2.922 20 0 FFADLM CCn1nc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C1CC1 ZINC000267322177 509446437 /nfs/dbraw/zinc/44/64/37/509446437.db2.gz CZZUNQVQCPWHDA-UHFFFAOYSA-N -1 2 369.830 2.933 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)n(CC)n2)cc1C(=O)[O-] ZINC000269657661 510502013 /nfs/dbraw/zinc/50/20/13/510502013.db2.gz ITCWIXZLMZFFHA-UHFFFAOYSA-N -1 2 363.439 2.842 20 0 FFADLM Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000178803382 510780334 /nfs/dbraw/zinc/78/03/34/510780334.db2.gz RXHQXEMANRORGJ-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CCOc1cc(C[N@@H+]2CCCC3(C2)OCCO3)cc(Br)c1O ZINC000291414447 511188458 /nfs/dbraw/zinc/18/84/58/511188458.db2.gz GZGKQWIDQFPTME-UHFFFAOYSA-N -1 2 372.259 2.892 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)n[nH]2)cc1 ZINC000280317771 511418056 /nfs/dbraw/zinc/41/80/56/511418056.db2.gz PBDYYIHEQVEBTL-LBPRGKRZSA-N -1 2 351.428 2.503 20 0 FFADLM CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ncc(C(C)C)s3)CC2)n1 ZINC000365826128 511671269 /nfs/dbraw/zinc/67/12/69/511671269.db2.gz DRORJYBZZMZVNV-UHFFFAOYSA-N -1 2 363.487 2.941 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)sc1C(=O)[O-] ZINC000324903307 511842997 /nfs/dbraw/zinc/84/29/97/511842997.db2.gz QJGFWPPAPUTQPK-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM CCOc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OC ZINC000390347059 512905991 /nfs/dbraw/zinc/90/59/91/512905991.db2.gz XQMQBTCTVKGWDZ-UHFFFAOYSA-N -1 2 357.409 2.654 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000376793480 512989382 /nfs/dbraw/zinc/98/93/82/512989382.db2.gz GTWLAWRWRYQEQN-UHFFFAOYSA-N -1 2 372.406 2.533 20 0 FFADLM Cc1cccc2c(O)c(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cnc12 ZINC000372943861 513110629 /nfs/dbraw/zinc/11/06/29/513110629.db2.gz HWJAMMYDBJRGSB-CQSZACIVSA-N -1 2 350.422 2.590 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000451072033 513497839 /nfs/dbraw/zinc/49/78/39/513497839.db2.gz UVNRJHYFYSWNPH-UHFFFAOYSA-N -1 2 364.423 2.605 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC000451095713 513515042 /nfs/dbraw/zinc/51/50/42/513515042.db2.gz UEPBVNPVWTYHNJ-UHFFFAOYSA-N -1 2 353.400 2.571 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436030144 513740628 /nfs/dbraw/zinc/74/06/28/513740628.db2.gz ZQFKONOHBJVSJC-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000425995107 513821518 /nfs/dbraw/zinc/82/15/18/513821518.db2.gz JWRKRPTVRCWABB-UHFFFAOYSA-N -1 2 351.405 2.766 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccnc2-c2ccccc2)c1 ZINC000436765230 513972888 /nfs/dbraw/zinc/97/28/88/513972888.db2.gz WEFDNGWZEOEMAE-UHFFFAOYSA-N -1 2 370.386 2.953 20 0 FFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)[nH]n1 ZINC000444421292 514225307 /nfs/dbraw/zinc/22/53/07/514225307.db2.gz HJVRZWYODZRKAR-UHFFFAOYSA-N -1 2 371.418 2.813 20 0 FFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000444421292 514225314 /nfs/dbraw/zinc/22/53/14/514225314.db2.gz HJVRZWYODZRKAR-UHFFFAOYSA-N -1 2 371.418 2.813 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c(F)c1 ZINC000438817127 514447096 /nfs/dbraw/zinc/44/70/96/514447096.db2.gz YBWGDUFHYGYMGH-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM CC(C)(C)c1nc(=NC(=O)c2nn(-c3ccccc3F)cc2[O-])s[nH]1 ZINC000439216002 514509586 /nfs/dbraw/zinc/50/95/86/514509586.db2.gz OCXRNPDACIKSMD-UHFFFAOYSA-N -1 2 361.402 2.540 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000479510119 514612862 /nfs/dbraw/zinc/61/28/62/514612862.db2.gz ILCCWUIUIRJQJB-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC ZINC000484999033 514869529 /nfs/dbraw/zinc/86/95/29/514869529.db2.gz XJZNFAZHZATYIK-UHFFFAOYSA-N -1 2 365.407 2.983 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476389513 515029706 /nfs/dbraw/zinc/02/97/06/515029706.db2.gz XTYVQHXUPPEIDN-UHFFFAOYSA-N -1 2 370.814 2.941 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cs1 ZINC000471968278 515072357 /nfs/dbraw/zinc/07/23/57/515072357.db2.gz FJVFNGNRQSQROZ-UHFFFAOYSA-N -1 2 351.764 2.745 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509569246 515236705 /nfs/dbraw/zinc/23/67/05/515236705.db2.gz BQMSICVONMQPPQ-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000499270594 515264032 /nfs/dbraw/zinc/26/40/32/515264032.db2.gz FOJNPRVQAXILGK-UHFFFAOYSA-N -1 2 359.407 2.987 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000499326371 515286646 /nfs/dbraw/zinc/28/66/46/515286646.db2.gz FEZWCLSCAYNILR-UHFFFAOYSA-N -1 2 363.317 2.602 20 0 FFADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000510113700 515439475 /nfs/dbraw/zinc/43/94/75/515439475.db2.gz FKVHJUYKMNFQEF-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(O)c3Br)[C@@H]2C1 ZINC000459347565 515489999 /nfs/dbraw/zinc/48/99/99/515489999.db2.gz CMALGZQVWUVPFV-UMVBOHGHSA-N -1 2 356.260 2.923 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000479271187 516134927 /nfs/dbraw/zinc/13/49/27/516134927.db2.gz PBKWYBAWWFJKND-UHFFFAOYSA-N -1 2 365.745 2.739 20 0 FFADLM CCc1ncc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000460769972 516244423 /nfs/dbraw/zinc/24/44/23/516244423.db2.gz PSMVVCYBRZGCMK-UHFFFAOYSA-N -1 2 351.409 2.686 20 0 FFADLM Cc1ccc2cccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)c2n1 ZINC000548198017 516819957 /nfs/dbraw/zinc/81/99/57/516819957.db2.gz VVOVFQZCFHMLBF-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000541306670 516977362 /nfs/dbraw/zinc/97/73/62/516977362.db2.gz PLDFEVUPXVCHRY-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000537197491 517083173 /nfs/dbraw/zinc/08/31/73/517083173.db2.gz JOSYRCSMDSFNKJ-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C)oc1C ZINC000537349584 517151663 /nfs/dbraw/zinc/15/16/63/517151663.db2.gz QOLGDXYGCJIYAC-UHFFFAOYSA-N -1 2 357.359 2.933 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000537473676 517200083 /nfs/dbraw/zinc/20/00/83/517200083.db2.gz XKANPBBAIKDSFL-UHFFFAOYSA-N -1 2 371.418 2.686 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000533166336 517322772 /nfs/dbraw/zinc/32/27/72/517322772.db2.gz AINSEIPSOKZQBC-UHFFFAOYSA-N -1 2 373.843 2.538 20 0 FFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000545828939 517383702 /nfs/dbraw/zinc/38/37/02/517383702.db2.gz AWAQYPAXGKKNOU-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)sc1C ZINC000538016439 517441166 /nfs/dbraw/zinc/44/11/66/517441166.db2.gz GVPFYYIOOZXCII-UHFFFAOYSA-N -1 2 369.420 2.635 20 0 FFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(F)c1F ZINC000533689156 517571341 /nfs/dbraw/zinc/57/13/41/517571341.db2.gz DXHYWFPZTRIZKU-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 ZINC000556799874 517666990 /nfs/dbraw/zinc/66/69/90/517666990.db2.gz PVCHXFLMDHLVKZ-UHFFFAOYSA-N -1 2 363.439 2.842 20 0 FFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000534402326 517880579 /nfs/dbraw/zinc/88/05/79/517880579.db2.gz SWGGYBCMSCLDQS-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1[C@@H](C)C1CC1 ZINC000543159672 517936974 /nfs/dbraw/zinc/93/69/74/517936974.db2.gz DFXYUOOFGYSSOJ-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM O=C([O-])CCCCCS(=O)(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000572838645 518385623 /nfs/dbraw/zinc/38/56/23/518385623.db2.gz FQFATPYETWJZHG-ZDUSSCGKSA-N -1 2 353.362 2.854 20 0 FFADLM C[N@H+]1CCC[C@@]2(CCN(C(=O)N=c3nc(-c4ccsc4)[nH]s3)C2)C1 ZINC000579084681 518512769 /nfs/dbraw/zinc/51/27/69/518512769.db2.gz JRTKQCRXEQGNMC-MRXNPFEDSA-N -1 2 363.512 2.638 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(F)c1 ZINC000588623010 518788809 /nfs/dbraw/zinc/78/88/09/518788809.db2.gz HVBZQZOACMKTMA-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000583204608 519128498 /nfs/dbraw/zinc/12/84/98/519128498.db2.gz MHIVTAAQRSHKNA-UHFFFAOYSA-N -1 2 354.359 2.807 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1O ZINC000574748768 519312654 /nfs/dbraw/zinc/31/26/54/519312654.db2.gz YMNRDGOCVXPPIG-UHFFFAOYSA-N -1 2 369.782 2.747 20 0 FFADLM CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000614872837 521177003 /nfs/dbraw/zinc/17/70/03/521177003.db2.gz FGPZVMBOQMIDMP-UHFFFAOYSA-N -1 2 368.436 2.822 20 0 FFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)[nH]n1 ZINC000832974071 601241670 /nfs/dbraw/zinc/24/16/70/601241670.db2.gz KWTJXSSYAYCHEY-UHFFFAOYSA-N -1 2 373.390 2.590 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000320388886 601358523 /nfs/dbraw/zinc/35/85/23/601358523.db2.gz MHDXGLIWJYTAEL-UHFFFAOYSA-N -1 2 356.425 2.774 20 0 FFADLM CCOc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000830104632 601362232 /nfs/dbraw/zinc/36/22/32/601362232.db2.gz KIXAZMYWJHDRNN-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC000829134035 601767338 /nfs/dbraw/zinc/76/73/38/601767338.db2.gz KIVYENVWGFZRQG-SSDOTTSWSA-N -1 2 373.481 2.614 20 0 FFADLM CCCCN(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000829381413 601769027 /nfs/dbraw/zinc/76/90/27/601769027.db2.gz SSFMEKNLXXDZSD-UHFFFAOYSA-N -1 2 369.468 2.878 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 ZINC000833346757 601839219 /nfs/dbraw/zinc/83/92/19/601839219.db2.gz VIQQEDRCWHNRSI-UHFFFAOYSA-N -1 2 368.436 2.569 20 0 FFADLM O=C([O-])N1CCc2nc(NS(=O)(=O)c3cccc(Cl)c3)sc2C1 ZINC000740529762 601977565 /nfs/dbraw/zinc/97/75/65/601977565.db2.gz IVGGCULUIOUQAX-UHFFFAOYSA-N -1 2 373.843 2.633 20 0 FFADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000833355868 602117313 /nfs/dbraw/zinc/11/73/13/602117313.db2.gz FPPVNRWZPJKCHI-UHFFFAOYSA-N -1 2 366.420 2.522 20 0 FFADLM O=C([O-])N1CCc2c1cccc2NS(=O)(=O)c1ccc(F)cc1F ZINC000832079834 604015242 /nfs/dbraw/zinc/01/52/42/604015242.db2.gz OAFOQEJVCMGAAZ-UHFFFAOYSA-N -1 2 354.334 2.806 20 0 FFADLM C[C@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824711392 604333277 /nfs/dbraw/zinc/33/32/77/604333277.db2.gz WGCZVUMRJLEZHH-MNOVXSKESA-N -1 2 363.443 2.888 20 0 FFADLM CSc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832785040 604621510 /nfs/dbraw/zinc/62/15/10/604621510.db2.gz GCJFQNSNKZAHOH-UHFFFAOYSA-N -1 2 358.466 2.683 20 0 FFADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000828580937 604775572 /nfs/dbraw/zinc/77/55/72/604775572.db2.gz ZERNWQINMZUQRR-UHFFFAOYSA-N -1 2 368.436 2.554 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c1 ZINC000833344144 604801767 /nfs/dbraw/zinc/80/17/67/604801767.db2.gz CICCRESZAFESAB-UHFFFAOYSA-N -1 2 366.392 2.957 20 0 FFADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000833784946 605165350 /nfs/dbraw/zinc/16/53/50/605165350.db2.gz USYJHVHZHVGJJZ-UHFFFAOYSA-N -1 2 352.315 2.661 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1 ZINC000833751130 605186309 /nfs/dbraw/zinc/18/63/09/605186309.db2.gz PDGUJZBYTUHAOT-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1sc(NS(=O)(=O)c2cccc3c2OCCO3)c(C(=O)[O-])c1C ZINC000833757876 605303175 /nfs/dbraw/zinc/30/31/75/605303175.db2.gz AFTFTBQWZUNJGV-UHFFFAOYSA-N -1 2 369.420 2.635 20 0 FFADLM CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1(C(=O)[O-])CCCCC1 ZINC000833688112 605529726 /nfs/dbraw/zinc/52/97/26/605529726.db2.gz CSJMWRCDOGWASW-UHFFFAOYSA-N -1 2 361.373 2.577 20 0 FFADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC000745977314 735456053 /nfs/dbraw/zinc/45/60/53/735456053.db2.gz UINPFVVLUWGENY-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM O=C(N=c1cn[n-]s1)NNC(=O)c1sc2ccccc2c1Cl ZINC000192330520 729423737 /nfs/dbraw/zinc/42/37/37/729423737.db2.gz YCBCKLZMVVECSN-UHFFFAOYSA-N -1 2 353.816 2.873 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 ZINC000194202432 729502909 /nfs/dbraw/zinc/50/29/09/729502909.db2.gz OJKQYVWBNVVQJJ-UHFFFAOYSA-N -1 2 367.383 2.572 20 0 FFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000275029857 729699489 /nfs/dbraw/zinc/69/94/89/729699489.db2.gz PVHDCWXWXUQELD-TVQRCGJNSA-N -1 2 361.341 2.836 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000319741563 729750398 /nfs/dbraw/zinc/75/03/98/729750398.db2.gz XWPOCEQZLABKBS-UHFFFAOYSA-N -1 2 358.803 2.669 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1[N+](=O)[O-] ZINC000327954263 729793975 /nfs/dbraw/zinc/79/39/75/729793975.db2.gz CKJNYBXEQHLPQB-UHFFFAOYSA-N -1 2 372.305 2.680 20 0 FFADLM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000681562196 734004780 /nfs/dbraw/zinc/00/47/80/734004780.db2.gz RGADRSNXECDJAT-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000776427543 738193163 /nfs/dbraw/zinc/19/31/63/738193163.db2.gz QFCWTMIPIZXXPU-UHFFFAOYSA-N -1 2 365.455 2.833 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794774370 739928681 /nfs/dbraw/zinc/92/86/81/739928681.db2.gz FOZXBFNLSAYOLX-PRHODGIISA-N -1 2 357.394 2.526 20 0 FFADLM Cc1cc(Cl)cnc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000323670734 971027818 /nfs/dbraw/zinc/02/78/18/971027818.db2.gz BVRZTSRKUXAPER-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM CCOC(=O)c1ccsc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000324914624 971168940 /nfs/dbraw/zinc/16/89/40/971168940.db2.gz KHSAVQUTMVJPTM-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM Oc1cccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1Br ZINC001140555365 966265386 /nfs/dbraw/zinc/26/53/86/966265386.db2.gz FVNOXMIUOKXHIU-GFCCVEGCSA-N -1 2 350.216 2.598 20 0 FFADLM Cc1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(=O)[O-])ccc1F ZINC000905382087 980426773 /nfs/dbraw/zinc/42/67/73/980426773.db2.gz ABSLWCBBINWYLF-FQEVSTJZSA-N -1 2 372.440 2.882 20 0 FFADLM CCC[C@@](C)(NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001595553312 981428690 /nfs/dbraw/zinc/42/86/90/981428690.db2.gz FNSAVEOXVOEBHF-MRXNPFEDSA-N -1 2 351.790 2.605 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)s1 ZINC001595726881 982348559 /nfs/dbraw/zinc/34/85/59/982348559.db2.gz BVERNIYDKIWGAV-UHFFFAOYSA-N -1 2 373.456 2.925 20 0 FFADLM CCCOc1cncc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC001595975886 983213708 /nfs/dbraw/zinc/21/37/08/983213708.db2.gz ULDMTNMEFCJARH-UHFFFAOYSA-N -1 2 356.425 2.739 20 0 FFADLM CCCc1nnc(NS(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)o1 ZINC001596094959 983416042 /nfs/dbraw/zinc/41/60/42/983416042.db2.gz BUPNOGDZGSOEMP-UHFFFAOYSA-N -1 2 365.820 2.544 20 0 FFADLM OC[C@@]1(F)C[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@@H]1c1ccccc1 ZINC000878664657 1015156580 /nfs/dbraw/zinc/15/65/80/1015156580.db2.gz APHOKFRAEOMPMF-UZLBHIALSA-N -1 2 369.396 2.742 20 0 FFADLM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)ccnc1C ZINC001597076956 986613015 /nfs/dbraw/zinc/61/30/15/986613015.db2.gz XAIAUUQLLLUEBP-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM CSc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC001599823162 988550120 /nfs/dbraw/zinc/55/01/20/988550120.db2.gz AMNKETQGZAGSPV-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM COc1cc(Cl)ncc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184669886 1002669135 /nfs/dbraw/zinc/66/91/35/1002669135.db2.gz KAEWYANXRRVJRO-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM COc1nc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc2ccccc21 ZINC001198746877 1004722029 /nfs/dbraw/zinc/72/20/29/1004722029.db2.gz OORBFTQUFKYWBQ-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM C[C@H](O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195184838 1004904196 /nfs/dbraw/zinc/90/41/96/1004904196.db2.gz DZGHOYJKPJQZHP-QMMMGPOBSA-N -1 2 357.334 2.517 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3ocnc32)c1 ZINC001187579366 1006162420 /nfs/dbraw/zinc/16/24/20/1006162420.db2.gz XXMHANOLLMMSRM-UHFFFAOYSA-N -1 2 352.755 2.980 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3nsnc32)ccc1Cl ZINC001188272845 1006497116 /nfs/dbraw/zinc/49/71/16/1006497116.db2.gz RIJRIAWMRIVBKN-UHFFFAOYSA-N -1 2 369.811 2.844 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(CC2CC2)n1 ZINC001188282590 1006501861 /nfs/dbraw/zinc/50/18/61/1006501861.db2.gz RCAMTWIPEFLLKF-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000191767065 1023913333 /nfs/dbraw/zinc/91/33/33/1023913333.db2.gz XMCGTNLYKCQURT-IBGZPJMESA-N -1 2 370.424 2.967 20 0 FFADLM O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1cc(F)c(O)c(Cl)c1)C2 ZINC001276998545 1034013674 /nfs/dbraw/zinc/01/36/74/1034013674.db2.gz MUGOLPYEJJXPER-INIZCTEOSA-N -1 2 362.779 2.874 20 0 FFADLM CN(Cc1cccnc1)[C@@H]1C[N@@H+](Cc2cccc(O)c2F)[C@@H]2CCCO[C@H]12 ZINC001233050668 1036295624 /nfs/dbraw/zinc/29/56/24/1036295624.db2.gz FOPUZIWRPJLQJU-OPYAIIAOSA-N -1 2 371.456 2.790 20 0 FFADLM CCOC(=O)[C@H](C)[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334508 1036989298 /nfs/dbraw/zinc/98/92/98/1036989298.db2.gz COUDFTAGQQIOAZ-LDYMZIIASA-N -1 2 372.232 2.667 20 0 FFADLM CCOC(=O)[C@H](C)[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334508 1036989309 /nfs/dbraw/zinc/98/93/09/1036989309.db2.gz COUDFTAGQQIOAZ-LDYMZIIASA-N -1 2 372.232 2.667 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213051 1039804877 /nfs/dbraw/zinc/80/48/77/1039804877.db2.gz HJSBEXBBCSHWSR-UHFFFAOYSA-N -1 2 374.777 2.772 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001259838905 1040235253 /nfs/dbraw/zinc/23/52/53/1040235253.db2.gz PQVIIYKORHNMDU-HNNXBMFYSA-N -1 2 365.455 2.918 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c3nsnc32)c1 ZINC001260190477 1040447329 /nfs/dbraw/zinc/44/73/29/1040447329.db2.gz NHYVUCWHELKQHB-UHFFFAOYSA-N -1 2 369.811 2.844 20 0 FFADLM CC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215611 1040466576 /nfs/dbraw/zinc/46/65/76/1040466576.db2.gz LOHKVEFCKKQPAA-UHFFFAOYSA-N -1 2 355.318 2.666 20 0 FFADLM CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001561865748 1076436218 /nfs/dbraw/zinc/43/62/18/1076436218.db2.gz LREQGDGEKTUXDX-JTQLQIEISA-N -1 2 356.797 2.731 20 0 FFADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)Cc2ccc(F)cc2)n1 ZINC001589657310 1080655975 /nfs/dbraw/zinc/65/59/75/1080655975.db2.gz YZFICSBKBAYOBQ-UHFFFAOYSA-N -1 2 358.416 2.586 20 0 FFADLM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000065844585 506378230 /nfs/dbraw/zinc/37/82/30/506378230.db2.gz DYCQOWMPOMKBET-UHFFFAOYSA-N -1 2 350.352 2.711 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(C)s1 ZINC000373201236 512217937 /nfs/dbraw/zinc/21/79/37/512217937.db2.gz CODZJGXPFGXSGY-UHFFFAOYSA-N -1 2 354.501 2.629 20 0 FFADLM Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000066290402 506471137 /nfs/dbraw/zinc/47/11/37/506471137.db2.gz FSYAYJSMWPMZKW-UHFFFAOYSA-N -1 2 350.352 2.711 20 0 FFADLM C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000110064722 508004829 /nfs/dbraw/zinc/00/48/29/508004829.db2.gz MQPRJLVPJPGVDU-QGZVFWFLSA-N -1 2 359.451 2.520 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000153198071 508558206 /nfs/dbraw/zinc/55/82/06/508558206.db2.gz WKORTOSBBVILJD-UHFFFAOYSA-N -1 2 363.420 2.566 20 0 FFADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2=O)[nH+]1 ZINC000125369407 508973174 /nfs/dbraw/zinc/97/31/74/508973174.db2.gz IFSZKUVFGCAEMR-WBMJQRKESA-N -1 2 351.410 2.564 20 0 FFADLM CC(C)c1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000192154220 509377415 /nfs/dbraw/zinc/37/74/15/509377415.db2.gz YWDAYJJBFCEHDU-UHFFFAOYSA-N -1 2 374.422 2.823 20 0 FFADLM CCn1nc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C1CC1 ZINC000267487870 509512756 /nfs/dbraw/zinc/51/27/56/509512756.db2.gz VXRPHVFHLUZHOO-UHFFFAOYSA-N -1 2 363.439 2.598 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000164568442 509515334 /nfs/dbraw/zinc/51/53/34/509515334.db2.gz GBJBRWHTEZELTJ-UHFFFAOYSA-N -1 2 351.428 2.737 20 0 FFADLM C[N@H+](CCC(=O)NCC1CCCCC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000411548890 512683982 /nfs/dbraw/zinc/68/39/82/512683982.db2.gz YDJQXQLDAHCLMG-UHFFFAOYSA-N -1 2 362.499 2.915 20 0 FFADLM Cc1csc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1 ZINC000450970847 513431324 /nfs/dbraw/zinc/43/13/24/513431324.db2.gz NXBZLEWTPICTEO-UHFFFAOYSA-N -1 2 369.420 2.717 20 0 FFADLM CCOc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436787342 513979867 /nfs/dbraw/zinc/97/98/67/513979867.db2.gz VKJIPZGRISDVIA-UHFFFAOYSA-N -1 2 351.380 2.598 20 0 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CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000478693347 515926207 /nfs/dbraw/zinc/92/62/07/515926207.db2.gz CSLPNVUIOLTZFY-SECBINFHSA-N -1 2 367.402 2.937 20 0 FFADLM COc1ncccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479267524 516131456 /nfs/dbraw/zinc/13/14/56/516131456.db2.gz VFFFWIAOSRHYCC-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1F ZINC000512765784 516349959 /nfs/dbraw/zinc/34/99/59/516349959.db2.gz BKDBTIWRMSUQRL-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000547595154 516426316 /nfs/dbraw/zinc/42/63/16/516426316.db2.gz QSIXREFRCOGIJY-KQTHMCFUSA-N -1 2 369.405 2.526 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000547628526 516450185 /nfs/dbraw/zinc/45/01/85/516450185.db2.gz HIXJQOLIPSRDDV-MRVPVSSYSA-N -1 2 355.441 2.723 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000548210736 516828402 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FFADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cnnc2ccc(Cl)cc21 ZINC001198746750 1004721398 /nfs/dbraw/zinc/72/13/98/1004721398.db2.gz KPHKFVXFJXTWJP-UHFFFAOYSA-N -1 2 363.782 2.782 20 0 FFADLM COc1ncccc1S(=O)(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001194711941 1004800966 /nfs/dbraw/zinc/80/09/66/1004800966.db2.gz SCTJGWOMCIWVEW-UHFFFAOYSA-N -1 2 353.450 2.789 20 0 FFADLM O=C(NN1C(=O)c2ccccc2C1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001138075071 1033701669 /nfs/dbraw/zinc/70/16/69/1033701669.db2.gz BOBZQRODSZSEIK-UHFFFAOYSA-N -1 2 351.145 2.640 20 0 FFADLM CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(O)c3F)CCO[C@@H]2C1 ZINC001233049733 1036295335 /nfs/dbraw/zinc/29/53/35/1036295335.db2.gz ANBUBSKMYXGOLB-GOEBONIOSA-N -1 2 366.433 2.599 20 0 FFADLM O=c1cc(-c2ccc(Cl)nc2)[nH]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245946420 1039156331 /nfs/dbraw/zinc/15/63/31/1039156331.db2.gz ODNMCQGZWCWGEW-UHFFFAOYSA-N -1 2 351.771 2.540 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213919 1039808670 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COc1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737839452 600097937 /nfs/dbraw/zinc/09/79/37/600097937.db2.gz HURQKNJSBGILQD-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c[nH]1 ZINC000833306161 600977372 /nfs/dbraw/zinc/97/73/72/600977372.db2.gz IGEVATXRQIJFBK-UHFFFAOYSA-N -1 2 357.800 2.777 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC000832208577 601361509 /nfs/dbraw/zinc/36/15/09/601361509.db2.gz FXNNBWQYMWUYPR-UHFFFAOYSA-N -1 2 356.425 2.774 20 0 FFADLM COc1ccccc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832633887 601362826 /nfs/dbraw/zinc/36/28/26/601362826.db2.gz ZFFNBDAWYDMENP-UHFFFAOYSA-N -1 2 370.452 2.948 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000832956496 601503721 /nfs/dbraw/zinc/50/37/21/601503721.db2.gz HTEIYVZQSDHZIX-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM Cc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000071414013 601575852 /nfs/dbraw/zinc/57/58/52/601575852.db2.gz GUXCUQLWQZWOHZ-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000320168735 601827926 /nfs/dbraw/zinc/82/79/26/601827926.db2.gz YPNSPTPBVZANCC-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000827168619 601843913 /nfs/dbraw/zinc/84/39/13/601843913.db2.gz OYMRRODVILTIIF-UHFFFAOYSA-N -1 2 361.832 2.814 20 0 FFADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000828741299 603817672 /nfs/dbraw/zinc/81/76/72/603817672.db2.gz ZXOCFBGVHGXKHK-UHFFFAOYSA-N -1 2 368.342 2.503 20 0 FFADLM COc1cccc(-c2cc(C(=O)N(CC(=O)[O-])c3ccccc3)[nH]n2)c1 ZINC000818620954 604282480 /nfs/dbraw/zinc/28/24/80/604282480.db2.gz YDADYKSYUHIDPV-UHFFFAOYSA-N -1 2 351.362 2.817 20 0 FFADLM CC(C)Cc1cc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)[nH]n1 ZINC000833491490 605134362 /nfs/dbraw/zinc/13/43/62/605134362.db2.gz YDLAEXJVLQIOTG-UHFFFAOYSA-N -1 2 363.439 2.525 20 0 FFADLM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000834164306 605383932 /nfs/dbraw/zinc/38/39/32/605383932.db2.gz NXEZKHYRBMMVHM-KFWWJZLASA-N -1 2 369.425 2.572 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1noc(-c2cccs2)n1 ZINC000833747661 605490096 /nfs/dbraw/zinc/49/00/96/605490096.db2.gz CXNMVWVOVRUNFJ-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833688600 605529645 /nfs/dbraw/zinc/52/96/45/605529645.db2.gz TYLHVLNPPDEPRQ-QGZVFWFLSA-N -1 2 369.352 2.615 20 0 FFADLM COC1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000650192894 730968407 /nfs/dbraw/zinc/96/84/07/730968407.db2.gz LWGNIRCUXPHRHZ-UHFFFAOYSA-N -1 2 370.254 2.636 20 0 FFADLM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749141213 735697328 /nfs/dbraw/zinc/69/73/28/735697328.db2.gz GGDKYPFXBACMQE-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C)c1O ZINC000749143961 735697828 /nfs/dbraw/zinc/69/78/28/735697828.db2.gz XLCAKGZIBGEYHY-UHFFFAOYSA-N -1 2 353.371 2.956 20 0 FFADLM Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000931321537 739244740 /nfs/dbraw/zinc/24/47/40/739244740.db2.gz TVNIJWMENNDLSR-NSHDSACASA-N -1 2 370.236 2.553 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc2[nH]ncc21 ZINC000793417343 739779376 /nfs/dbraw/zinc/77/93/76/739779376.db2.gz VKMBQJLFSAQXLM-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC000325677639 971234969 /nfs/dbraw/zinc/23/49/69/971234969.db2.gz PZHNSLKLZLMJSW-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccccc2N2CCCC2)c1C(=O)[O-] ZINC000326981456 971353583 /nfs/dbraw/zinc/35/35/83/971353583.db2.gz KCTZWLGTLYMIFW-UHFFFAOYSA-N -1 2 364.423 2.996 20 0 FFADLM O=C([O-])CCc1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC001595066680 951556643 /nfs/dbraw/zinc/55/66/43/951556643.db2.gz UUOHFDIQLADZFC-UHFFFAOYSA-N -1 2 374.340 2.918 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1C#N ZINC000392592936 972500944 /nfs/dbraw/zinc/50/09/44/972500944.db2.gz RYIUNCIYAPIZKL-UHFFFAOYSA-N -1 2 365.436 2.531 20 0 FFADLM CC(C)c1cc(N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)nc(C(C)C)[nH+]1 ZINC001591934793 976445532 /nfs/dbraw/zinc/44/55/32/976445532.db2.gz FYRBTVJBPMEZLX-FWHMADFJSA-N -1 2 361.442 2.725 20 0 FFADLM CC(C)c1ncc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC001592037707 976758396 /nfs/dbraw/zinc/75/83/96/976758396.db2.gz YYPRFELMEWRQAF-UHFFFAOYSA-N -1 2 361.423 2.517 20 0 FFADLM CCCC[C@H](OC(=O)c1nn(-c2ccc(F)cc2F)cc1O)C(=O)[O-] ZINC001595651621 982024360 /nfs/dbraw/zinc/02/43/60/982024360.db2.gz INBBBALAZLWYAM-ZDUSSCGKSA-N -1 2 354.309 2.656 20 0 FFADLM CCc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1 ZINC001597444755 987813807 /nfs/dbraw/zinc/81/38/07/987813807.db2.gz AEGLJLLXPAWJTQ-UHFFFAOYSA-N -1 2 371.436 2.827 20 0 FFADLM CCc1cc(C(=O)[O-])c(NS(=O)(=O)c2cccc(COC)c2)s1 ZINC001597445606 987818112 /nfs/dbraw/zinc/81/81/12/987818112.db2.gz PXBDZYJOVUWFSM-UHFFFAOYSA-N -1 2 355.437 2.956 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001597717510 988985962 /nfs/dbraw/zinc/98/59/62/988985962.db2.gz DDONYFIMHVYRRL-NSHDSACASA-N -1 2 365.455 2.534 20 0 FFADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1C1CC1 ZINC001591533863 992712945 /nfs/dbraw/zinc/71/29/45/992712945.db2.gz OOFPVCCBDFVBAY-UHFFFAOYSA-N -1 2 363.439 2.916 20 0 FFADLM COCc1ccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001599295257 997128897 /nfs/dbraw/zinc/12/88/97/997128897.db2.gz RBLCTTHJWFUZBU-UHFFFAOYSA-N -1 2 368.436 2.666 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(F)F)c(C)c1 ZINC001599503545 997171112 /nfs/dbraw/zinc/17/11/12/997171112.db2.gz YPZPQSXDKXMUDF-UHFFFAOYSA-N -1 2 372.349 2.835 20 0 FFADLM COCc1nc(NS(=O)(=O)/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC001599304236 997286298 /nfs/dbraw/zinc/28/62/98/997286298.db2.gz YMNYQCPZGCDXFY-SREVYHEPSA-N -1 2 372.399 2.539 20 0 FFADLM O=S(=O)(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(O)cc(F)c1 ZINC001184639968 1002673627 /nfs/dbraw/zinc/67/36/27/1002673627.db2.gz MPSYLBJZKGQZJU-OAHLLOKOSA-N -1 2 370.471 2.708 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC001185877615 1003113123 /nfs/dbraw/zinc/11/31/23/1003113123.db2.gz PTJCDAWDSUPXJA-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C([O-])c1cccc(-c2ccc(S(=O)(=O)Nc3cncnc3)cc2)c1 ZINC001196060788 1003645446 /nfs/dbraw/zinc/64/54/46/1003645446.db2.gz PFYNPZWJQBWLQA-UHFFFAOYSA-N -1 2 355.375 2.643 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2csc3nccnc23)cc1 ZINC001192109686 1004055718 /nfs/dbraw/zinc/05/57/18/1004055718.db2.gz KCEPVXCVEOPXNM-UHFFFAOYSA-N -1 2 363.420 2.509 20 0 FFADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1nc(C(F)(F)F)cs1 ZINC001198739738 1004717820 /nfs/dbraw/zinc/71/78/20/1004717820.db2.gz YAFNNWMRHHJNAS-UHFFFAOYSA-N -1 2 352.315 2.661 20 0 FFADLM COc1ccc2cccnc2c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790362 1004729138 /nfs/dbraw/zinc/72/91/38/1004729138.db2.gz UHQBWKOJZWXTQR-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM Cc1cccc2[nH+]cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)n21 ZINC001187552762 1006140544 /nfs/dbraw/zinc/14/05/44/1006140544.db2.gz AJGKCAKCQDFSLG-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM CON(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1)[C@H](C)c1ccccc1C ZINC000854521653 1006872365 /nfs/dbraw/zinc/87/23/65/1006872365.db2.gz OSYHOMIYOLVYCK-GFCCVEGCSA-N -1 2 368.393 2.818 20 0 FFADLM O=c1[n-]cnc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC001226719199 1034804468 /nfs/dbraw/zinc/80/44/68/1034804468.db2.gz KCQXGCSGVRHHDK-CYBMUJFWSA-N -1 2 364.243 2.988 20 0 FFADLM Oc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1I ZINC001232868252 1036115620 /nfs/dbraw/zinc/11/56/20/1036115620.db2.gz NUVFBHBGGDKKNB-DOMZBBRYSA-N -1 2 373.234 2.998 20 0 FFADLM Brc1cnc2c(c1)COC[C@H]2Oc1nc(-c2cccnc2)n[nH]1 ZINC001228697027 1036268378 /nfs/dbraw/zinc/26/83/78/1036268378.db2.gz DNXZMEYUJWKNPV-GFCCVEGCSA-N -1 2 374.198 2.675 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@H+](Cc1ccc(O)c(F)c1F)C2 ZINC001140890825 1036388886 /nfs/dbraw/zinc/38/88/86/1036388886.db2.gz NENXMMBWQBFEEJ-QRWLVFNGSA-N -1 2 373.403 2.594 20 0 FFADLM O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140993103 1036645085 /nfs/dbraw/zinc/64/50/85/1036645085.db2.gz GFYUYFSYKXJKMX-UHFFFAOYSA-N -1 2 360.404 2.843 20 0 FFADLM Cc1ccc(CO)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220485 1039812647 /nfs/dbraw/zinc/81/26/47/1039812647.db2.gz ARDQZEUTBBPZSI-UHFFFAOYSA-N -1 2 373.789 2.779 20 0 FFADLM Cc1cnn(-c2cccc(C)c2)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184431 1040445081 /nfs/dbraw/zinc/44/50/81/1040445081.db2.gz LBDXLBOCSOHVJB-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COc1cc(C[NH+]2CCOCC2)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163676 1044693241 /nfs/dbraw/zinc/69/32/41/1044693241.db2.gz FXWPXRGBZMICGY-UHFFFAOYSA-N -1 2 371.389 2.591 20 0 FFADLM CSc1cnn(-c2ccccc2)c1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001517859037 1058180496 /nfs/dbraw/zinc/18/04/96/1058180496.db2.gz VVEWOZMJEAADQV-UHFFFAOYSA-N -1 2 357.439 2.896 20 0 FFADLM CCC(=O)c1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1 ZINC001453432961 1059370718 /nfs/dbraw/zinc/37/07/18/1059370718.db2.gz QMNJKLFRGDCJKK-UHFFFAOYSA-N -1 2 352.350 2.589 20 0 FFADLM CC1(C)CC[N@H+](CCNC(=O)c2cc(Br)cc(F)c2O)C1 ZINC001457031020 1060258242 /nfs/dbraw/zinc/25/82/42/1060258242.db2.gz DHXWODBHIRNMCV-UHFFFAOYSA-N -1 2 359.239 2.756 20 0 FFADLM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1 ZINC001589643035 1080647329 /nfs/dbraw/zinc/64/73/29/1080647329.db2.gz GDLRRBWMVZVTGN-UHFFFAOYSA-N -1 2 354.815 2.898 20 0 FFADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2ccc(F)cc2F)n1 ZINC001589656901 1080654653 /nfs/dbraw/zinc/65/46/53/1080654653.db2.gz DEHCAVQCOHBPFB-UHFFFAOYSA-N -1 2 362.379 2.584 20 0 FFADLM COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000286638544 257047091 /nfs/dbraw/zinc/04/70/91/257047091.db2.gz YTBPVQHIVYTGCJ-GJZGRUSLSA-N -1 2 359.426 2.862 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000012649019 506887500 /nfs/dbraw/zinc/88/75/00/506887500.db2.gz MTVLVQYDJCJQDO-UHFFFAOYSA-N -1 2 355.375 2.643 20 0 FFADLM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045774676 507017514 /nfs/dbraw/zinc/01/75/14/507017514.db2.gz VGWKOKKFUODCFE-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(C(=O)NC2CC2)cc1 ZINC000124376720 508822868 /nfs/dbraw/zinc/82/28/68/508822868.db2.gz UNFCBIMBCHQVKU-UHFFFAOYSA-N -1 2 365.368 2.755 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000145528970 508845398 /nfs/dbraw/zinc/84/53/98/508845398.db2.gz VHZWLQDIKHIVJX-UHFFFAOYSA-N -1 2 356.743 2.747 20 0 FFADLM Cc1ccc(-n2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cn2)c(C)c1 ZINC000191898179 509236072 /nfs/dbraw/zinc/23/60/72/509236072.db2.gz UOFADVKWOZQUEJ-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc2[nH]nnc21 ZINC000182757456 509412755 /nfs/dbraw/zinc/41/27/55/509412755.db2.gz COBIVVWVCRMFJV-UHFFFAOYSA-N -1 2 351.341 2.725 20 0 FFADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000181785733 510591665 /nfs/dbraw/zinc/59/16/65/510591665.db2.gz XFNCKBNWTOLILW-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM C[N@H+]1CC[C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H]1c1ccccc1 ZINC000332983661 511169485 /nfs/dbraw/zinc/16/94/85/511169485.db2.gz ZOEDQDMUCCFLIA-ZIAGYGMSSA-N -1 2 359.499 2.824 20 0 FFADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)o1 ZINC000284422962 511718110 /nfs/dbraw/zinc/71/81/10/511718110.db2.gz XZBFTJVEALCBGC-GFCCVEGCSA-N -1 2 357.332 2.684 20 0 FFADLM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000390406023 512907452 /nfs/dbraw/zinc/90/74/52/512907452.db2.gz JLWSCMGQPTUANS-UHFFFAOYSA-N -1 2 358.803 2.956 20 0 FFADLM COc1cc(SC)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000446622904 513298443 /nfs/dbraw/zinc/29/84/43/513298443.db2.gz HPKOUVGDQRFPHJ-UHFFFAOYSA-N -1 2 359.450 2.978 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000451070947 513496777 /nfs/dbraw/zinc/49/67/77/513496777.db2.gz QDUMGAYDXYUNPR-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2scnc2C(C)C)c1 ZINC000451102693 513524323 /nfs/dbraw/zinc/52/43/23/513524323.db2.gz LCKORXKUXKLZHS-UHFFFAOYSA-N -1 2 356.425 2.780 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000442836795 513792918 /nfs/dbraw/zinc/79/29/18/513792918.db2.gz IRPZETKNRDYTNI-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436782410 513977551 /nfs/dbraw/zinc/97/75/51/513977551.db2.gz BRDPCDIKWZCDHQ-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM Cc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cccc1C(=O)[O-] ZINC000476773213 515190389 /nfs/dbraw/zinc/19/03/89/515190389.db2.gz MGWQXLQKRPFMBX-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000468851949 515550215 /nfs/dbraw/zinc/55/02/15/515550215.db2.gz GYDKNHZQCZLDPW-UHFFFAOYSA-N -1 2 358.803 2.576 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000463798848 515619675 /nfs/dbraw/zinc/61/96/75/515619675.db2.gz MKNWFAXSGMQDJV-UHFFFAOYSA-N -1 2 365.745 2.739 20 0 FFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000479201578 516104691 /nfs/dbraw/zinc/10/46/91/516104691.db2.gz IEOIFKLHNGBGRF-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000536193422 516668998 /nfs/dbraw/zinc/66/89/98/516668998.db2.gz SRDFASLUGVNRFA-UHFFFAOYSA-N -1 2 359.407 2.849 20 0 FFADLM COC(=O)c1csc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000532110774 516805059 /nfs/dbraw/zinc/80/50/59/516805059.db2.gz VPMLLFVPCBYGFN-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c[nH]c2nccc(Cl)c21 ZINC000548521578 517032763 /nfs/dbraw/zinc/03/27/63/517032763.db2.gz NPBCZSPTIVPHTN-UHFFFAOYSA-N -1 2 369.761 2.854 20 0 FFADLM CC1(c2nc(=NC(=O)C3(C)CCN(c4cc[nH+]cc4)CC3)s[nH]2)CC1 ZINC000529702320 517294405 /nfs/dbraw/zinc/29/44/05/517294405.db2.gz YVJBFVNRGODMHC-UHFFFAOYSA-N -1 2 357.483 2.652 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1[C@@H](C)C1CC1 ZINC000543164704 517940577 /nfs/dbraw/zinc/94/05/77/517940577.db2.gz VSVAAGYOFTUUHP-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C1CC1 ZINC000534972488 518101958 /nfs/dbraw/zinc/10/19/58/518101958.db2.gz BZWDABYCVSBHFF-JTQLQIEISA-N -1 2 366.443 2.569 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1-c1ccccc1 ZINC000572914614 518417836 /nfs/dbraw/zinc/41/78/36/518417836.db2.gz XWPLAHPBSAVKBM-UHFFFAOYSA-N -1 2 363.420 2.648 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000584813245 518487725 /nfs/dbraw/zinc/48/77/25/518487725.db2.gz YZCFFTONXWFEBT-LLVKDONJSA-N -1 2 351.428 2.590 20 0 FFADLM CCOc1nc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)ccc2[nH]1 ZINC000565354552 518912880 /nfs/dbraw/zinc/91/28/80/518912880.db2.gz ODPGIKMDOLEJTL-XJKSGUPXSA-N -1 2 369.425 2.937 20 0 FFADLM O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000574629461 519250659 /nfs/dbraw/zinc/25/06/59/519250659.db2.gz BTEGXBFJASXZOT-UHFFFAOYSA-N -1 2 357.197 2.543 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000605613612 520929311 /nfs/dbraw/zinc/92/93/11/520929311.db2.gz WPJNYOXWXRNRMW-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2F)sc1C(=O)[O-] ZINC000738363130 600054617 /nfs/dbraw/zinc/05/46/17/600054617.db2.gz DIAJPBHKNYJKBU-UHFFFAOYSA-N -1 2 350.780 2.743 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000738755154 600244432 /nfs/dbraw/zinc/24/44/32/600244432.db2.gz OTXXVFUPGBXUOM-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)c1C(=O)[O-] ZINC000326938503 600246273 /nfs/dbraw/zinc/24/62/73/600246273.db2.gz WWUUHVNTPYLPOP-UHFFFAOYSA-N -1 2 361.379 2.581 20 0 FFADLM CN(Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1)C(=O)[O-] ZINC000737486749 600300460 /nfs/dbraw/zinc/30/04/60/600300460.db2.gz WPYVREVTFHIXRV-UHFFFAOYSA-N -1 2 356.350 2.875 20 0 FFADLM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Br)c2O)c2ccccc21 ZINC000739613578 600366047 /nfs/dbraw/zinc/36/60/47/600366047.db2.gz PDQAVMDGWSUNDN-LLVKDONJSA-N -1 2 362.179 2.983 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326442522 601324285 /nfs/dbraw/zinc/32/42/85/601324285.db2.gz ZRWOCCQJYJJOHY-YFHOEESVSA-N -1 2 362.407 2.767 20 0 FFADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000827213814 601328932 /nfs/dbraw/zinc/32/89/32/601328932.db2.gz SGAAGLVZHZFFNN-TWLAMCEISA-N -1 2 361.423 2.753 20 0 FFADLM COc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000831972617 601836971 /nfs/dbraw/zinc/83/69/71/601836971.db2.gz MXQXAOVENGFJBG-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CN(Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1)C(=O)[O-] ZINC000739711096 602655279 /nfs/dbraw/zinc/65/52/79/602655279.db2.gz CDDLTUKARCQPJK-UHFFFAOYSA-N -1 2 356.350 2.875 20 0 FFADLM CN(Cc1ccccc1NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000739716937 602930229 /nfs/dbraw/zinc/93/02/29/602930229.db2.gz WWUHKYADVOOGKG-UHFFFAOYSA-N -1 2 355.803 2.646 20 0 FFADLM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000740529940 603182645 /nfs/dbraw/zinc/18/26/45/603182645.db2.gz PVCUTDBKYJYAAC-UHFFFAOYSA-N -1 2 368.361 2.802 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738374245 603420238 /nfs/dbraw/zinc/42/02/38/603420238.db2.gz JUVVTUSRUHFDOI-UHFFFAOYSA-N -1 2 352.416 2.972 20 0 FFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832984615 604807346 /nfs/dbraw/zinc/80/73/46/604807346.db2.gz XPMVYZFIKKGDFS-UHFFFAOYSA-N -1 2 361.828 2.974 20 0 FFADLM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000834164316 605384629 /nfs/dbraw/zinc/38/46/29/605384629.db2.gz NXEZKHYRBMMVHM-RRFJBIMHSA-N -1 2 369.425 2.572 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000319561069 729750033 /nfs/dbraw/zinc/75/00/33/729750033.db2.gz FVRJEQWKZRCCJF-UHFFFAOYSA-N -1 2 354.409 2.514 20 0 FFADLM COc1c(C)ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC000324849904 729757613 /nfs/dbraw/zinc/75/76/13/729757613.db2.gz GSFOYRGRBCMPOI-UHFFFAOYSA-N -1 2 353.371 2.950 20 0 FFADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1CC(C)C ZINC000677416393 733943818 /nfs/dbraw/zinc/94/38/18/733943818.db2.gz FYBRQNYTWGETMV-UHFFFAOYSA-N -1 2 369.418 2.740 20 0 FFADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000682894983 734107472 /nfs/dbraw/zinc/10/74/72/734107472.db2.gz SSOVVNLMUJYDRC-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM Cc1cn(C(C)(C)C(=O)NCc2ccc(O)c(Br)c2)c[nH+]1 ZINC000897030253 735192573 /nfs/dbraw/zinc/19/25/73/735192573.db2.gz CWECBMIMJSQEPI-UHFFFAOYSA-N -1 2 352.232 2.711 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3nccnc3c2)c1F ZINC000749143717 735697930 /nfs/dbraw/zinc/69/79/30/735697930.db2.gz UZSDEIIYCNWUAO-UHFFFAOYSA-N -1 2 361.354 2.576 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000758169523 736458298 /nfs/dbraw/zinc/45/82/98/736458298.db2.gz GVVPWVSVAIQBSJ-UHFFFAOYSA-N -1 2 365.745 2.808 20 0 FFADLM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1O ZINC000762455914 736825163 /nfs/dbraw/zinc/82/51/63/736825163.db2.gz MZBRSZVBYOJWGQ-UHFFFAOYSA-N -1 2 353.371 2.956 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794774363 739928589 /nfs/dbraw/zinc/92/85/89/739928589.db2.gz FOZXBFNLSAYOLX-PELKAZGASA-N -1 2 357.394 2.526 20 0 FFADLM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000830018349 745294420 /nfs/dbraw/zinc/29/44/20/745294420.db2.gz JGJUYPUOJCMTOB-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1 ZINC000391993494 972398651 /nfs/dbraw/zinc/39/86/51/972398651.db2.gz FPTLKKLPCLSPFK-UHFFFAOYSA-N -1 2 366.420 2.596 20 0 FFADLM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591778274 975938083 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Cc1cc(C2CCN(C(=O)c3c[n-]c4[nH+]c(C)ccc4c3=O)CC2)[nH]n1 ZINC000679168049 1015909458 /nfs/dbraw/zinc/90/94/58/1015909458.db2.gz ROCLSWNKJOMIHA-UHFFFAOYSA-N -1 2 351.410 2.695 20 0 FFADLM CC1(C)CCc2nc(NS(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC001593916716 996821379 /nfs/dbraw/zinc/82/13/79/996821379.db2.gz YAGARDQUWHQHEV-UHFFFAOYSA-N -1 2 373.481 2.614 20 0 FFADLM C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(Cl)cc1O ZINC001136906592 997010582 /nfs/dbraw/zinc/01/05/82/997010582.db2.gz WMOPZUWPDILTAN-OAHLLOKOSA-N -1 2 373.884 2.986 20 0 FFADLM COCc1nc(NS(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC001599303334 997269810 /nfs/dbraw/zinc/26/98/10/997269810.db2.gz HSKOPMGTMPAJHL-UHFFFAOYSA-N -1 2 368.845 2.503 20 0 FFADLM Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000746109635 999949692 /nfs/dbraw/zinc/94/96/92/999949692.db2.gz RPISGRAHGGWWSK-UHFFFAOYSA-N -1 2 365.393 2.597 20 0 FFADLM Cc1ccc(-n2nccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC001185877892 1003112888 /nfs/dbraw/zinc/11/28/88/1003112888.db2.gz WRLYJSNKJNIYAK-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201276165 1005193506 /nfs/dbraw/zinc/19/35/06/1005193506.db2.gz IQDUVIFULKAYEP-VIFPVBQESA-N -1 2 355.262 2.895 20 0 FFADLM O=S(=O)([O-])c1ccc(NS(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187209526 1005979402 /nfs/dbraw/zinc/97/94/02/1005979402.db2.gz PCJRZLWEQBJFDP-UHFFFAOYSA-N -1 2 373.477 2.674 20 0 FFADLM O=C([O-])c1cc2cccnc2c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000821106730 1008421578 /nfs/dbraw/zinc/42/15/78/1008421578.db2.gz NTGXPTMPSRWKQE-UHFFFAOYSA-N -1 2 368.374 2.610 20 0 FFADLM Oc1cccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1Br ZINC001140548940 1035610274 /nfs/dbraw/zinc/61/02/74/1035610274.db2.gz ZEJGPFLCSMWTHP-SQWLQELKSA-N -1 2 368.271 2.781 20 0 FFADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)OCc1ccccc1 ZINC001234331940 1036990686 /nfs/dbraw/zinc/99/06/86/1036990686.db2.gz LHZVADPRDHGEGH-LBPRGKRZSA-N -1 2 352.279 2.669 20 0 FFADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(=O)OCc1ccccc1 ZINC001234331940 1036990698 /nfs/dbraw/zinc/99/06/98/1036990698.db2.gz LHZVADPRDHGEGH-LBPRGKRZSA-N -1 2 352.279 2.669 20 0 FFADLM CCOC(=O)[C@@H](C)[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334507 1036990854 /nfs/dbraw/zinc/99/08/54/1036990854.db2.gz COUDFTAGQQIOAZ-KWQFWETISA-N -1 2 372.232 2.667 20 0 FFADLM CCOC(=O)[C@@H](C)[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(F)(F)F ZINC001234334507 1036990874 /nfs/dbraw/zinc/99/08/74/1036990874.db2.gz COUDFTAGQQIOAZ-KWQFWETISA-N -1 2 372.232 2.667 20 0 FFADLM CC(C)OC(=O)N1CCC(Oc2ccc(O[P@@](=O)([O-])O)cc2)CC1 ZINC001234339574 1036993419 /nfs/dbraw/zinc/99/34/19/1036993419.db2.gz PUQDMXFATPIHIA-UHFFFAOYSA-N -1 2 359.315 2.546 20 0 FFADLM CC(C)OC(=O)N1CCC(Oc2ccc(O[P@](=O)([O-])O)cc2)CC1 ZINC001234339574 1036993436 /nfs/dbraw/zinc/99/34/36/1036993436.db2.gz PUQDMXFATPIHIA-UHFFFAOYSA-N -1 2 359.315 2.546 20 0 FFADLM O=C([O-])c1ccc(Cn2[nH]c(-c3ccc4c(c3)OCCO4)cc2=O)cc1 ZINC001245945885 1039156402 /nfs/dbraw/zinc/15/64/02/1039156402.db2.gz YRRMDRMBZOTNOM-UHFFFAOYSA-N -1 2 352.346 2.773 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC001260183215 1040442714 /nfs/dbraw/zinc/44/27/14/1040442714.db2.gz DDUQAFDNUAUHPT-UHFFFAOYSA-N -1 2 352.315 2.661 20 0 FFADLM C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1C ZINC001262851306 1041901377 /nfs/dbraw/zinc/90/13/77/1041901377.db2.gz CSXOAKQXCRTFCM-ZETCQYMHSA-N -1 2 353.764 2.729 20 0 FFADLM Cc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)n1 ZINC001308112127 1052409643 /nfs/dbraw/zinc/40/96/43/1052409643.db2.gz ZXZBUGSRQAQNBZ-LIRRHRJNSA-N -1 2 362.474 2.760 20 0 FFADLM Cc1cccc(C[N@H+]2CCO[C@H](CNCc3c(F)ccc(O)c3F)C2)c1 ZINC001308904984 1052515824 /nfs/dbraw/zinc/51/58/24/1052515824.db2.gz ZUGZJYCAPDEZTC-MRXNPFEDSA-N -1 2 362.420 2.969 20 0 FFADLM O=C([O-])[C@H](NC(=O)C(F)(F)C(F)F)c1ccccc1Br ZINC001601663897 1058176103 /nfs/dbraw/zinc/17/61/03/1058176103.db2.gz DBRQXUUIHLXOSQ-SSDOTTSWSA-N -1 2 358.085 2.591 20 0 FFADLM COCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC2(C1)CCCCC2 ZINC001355761001 1060570278 /nfs/dbraw/zinc/57/02/78/1060570278.db2.gz OAMPIPHQXNDXJR-UHFFFAOYSA-N -1 2 365.869 2.524 20 0 FFADLM Cc1cc(C(=O)Nc2cc(Cl)cc3c[nH]nc32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001472315027 1065011676 /nfs/dbraw/zinc/01/16/76/1065011676.db2.gz LLIPHGNXWICFNN-UHFFFAOYSA-N -1 2 370.756 2.526 20 0 FFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291238611 257393242 /nfs/dbraw/zinc/39/32/42/257393242.db2.gz XJDYFTXANVRMJY-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000035064932 506376634 /nfs/dbraw/zinc/37/66/34/506376634.db2.gz WBXAAYSJJAVRNR-UHFFFAOYSA-N -1 2 369.811 2.844 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000068352198 507197521 /nfs/dbraw/zinc/19/75/21/507197521.db2.gz ZXKICLFEVBQELT-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)sc1C(=O)[O-] ZINC000069005144 507379137 /nfs/dbraw/zinc/37/91/37/507379137.db2.gz VUJJGLIREYSLQC-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM COc1ccsc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000177510925 510105674 /nfs/dbraw/zinc/10/56/74/510105674.db2.gz HTBRUMZFDMJAFN-NSHDSACASA-N -1 2 372.537 2.543 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C ZINC000266054748 510382821 /nfs/dbraw/zinc/38/28/21/510382821.db2.gz HEDPYRWAMMASIF-UHFFFAOYSA-N -1 2 362.411 2.500 20 0 FFADLM O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282863428 511139133 /nfs/dbraw/zinc/13/91/33/511139133.db2.gz TZXGTXYGVMTRAZ-GFCCVEGCSA-N -1 2 368.416 2.650 20 0 FFADLM COCCOc1cc(C)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000298837495 511426899 /nfs/dbraw/zinc/42/68/99/511426899.db2.gz DEYNYNHBQKAQCA-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM COc1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000323205412 511828854 /nfs/dbraw/zinc/82/88/54/511828854.db2.gz LVSNHIWEJOMRPT-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1C(=O)[O-] ZINC000324431882 511836113 /nfs/dbraw/zinc/83/61/13/511836113.db2.gz CJHHNUDSICSUAJ-UHFFFAOYSA-N -1 2 365.798 2.726 20 0 FFADLM O=c1[nH]c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)nc2c1cnn2-c1ccccc1 ZINC000284727231 511841343 /nfs/dbraw/zinc/84/13/43/511841343.db2.gz KDDDGJNRYZSHPL-IAGOWNOFSA-N -1 2 365.437 2.665 20 0 FFADLM C[C@@]1(C(=O)[O-])CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000417789899 513208073 /nfs/dbraw/zinc/20/80/73/513208073.db2.gz MSWREHDZIMRENK-OAHLLOKOSA-N -1 2 366.830 2.609 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000448131900 513681924 /nfs/dbraw/zinc/68/19/24/513681924.db2.gz CPQYMJWRSDMVGJ-UHFFFAOYSA-N -1 2 355.391 2.630 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000436476559 513865030 /nfs/dbraw/zinc/86/50/30/513865030.db2.gz JGQORKZSZUTQSI-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000436479680 513867652 /nfs/dbraw/zinc/86/76/52/513867652.db2.gz XBCZMBOYUAEUAG-UHFFFAOYSA-N -1 2 370.814 2.941 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000414381714 514079537 /nfs/dbraw/zinc/07/95/37/514079537.db2.gz MVHXSWQQRUYNAC-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)[nH]n2)c1 ZINC000444423795 514225890 /nfs/dbraw/zinc/22/58/90/514225890.db2.gz SJVSXBJKAGULQX-UHFFFAOYSA-N -1 2 374.422 2.531 20 0 FFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000471578351 514936742 /nfs/dbraw/zinc/93/67/42/514936742.db2.gz PAFAQZWZMPXBME-UHFFFAOYSA-N -1 2 374.418 2.615 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509090450 515018295 /nfs/dbraw/zinc/01/82/95/515018295.db2.gz QVHQDEYZXZUSKI-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509098323 515022628 /nfs/dbraw/zinc/02/26/28/515022628.db2.gz KTQJFSYMYGGHTC-UHFFFAOYSA-N -1 2 367.404 2.636 20 0 FFADLM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000467758149 515106176 /nfs/dbraw/zinc/10/61/76/515106176.db2.gz NETSXZKPAVZVJW-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM COCCc1nsc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000509523120 515216135 /nfs/dbraw/zinc/21/61/35/515216135.db2.gz AZSGUBYKLYTCHM-MRXNPFEDSA-N -1 2 360.527 2.862 20 0 FFADLM C[C@H]1CN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cn2)C[C@H](C)O1 ZINC000509917743 515368327 /nfs/dbraw/zinc/36/83/27/515368327.db2.gz VOYCBRFOWHTWDD-STQMWFEESA-N -1 2 363.408 2.969 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)s1 ZINC000468880733 515562976 /nfs/dbraw/zinc/56/29/76/515562976.db2.gz IQEMNODKEMHPAD-UHFFFAOYSA-N -1 2 353.421 2.905 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479431246 516192736 /nfs/dbraw/zinc/19/27/36/516192736.db2.gz YFWXUPFDONBWJL-UHFFFAOYSA-N -1 2 370.814 2.859 20 0 FFADLM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc(C)c1C ZINC000484103490 516297451 /nfs/dbraw/zinc/29/74/51/516297451.db2.gz ILOTYWBMWBWSIY-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CCCc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C(=O)[O-])c1 ZINC000547639245 516456902 /nfs/dbraw/zinc/45/69/02/516456902.db2.gz CXFCCTGLSHXGTN-UHFFFAOYSA-N -1 2 373.381 2.600 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c1C(=O)[O-] ZINC000540293511 516504371 /nfs/dbraw/zinc/50/43/71/516504371.db2.gz SOYKCAOBIHIELL-UHFFFAOYSA-N -1 2 371.827 2.787 20 0 FFADLM CCCc1nc(C)c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)s1 ZINC000547949314 516651517 /nfs/dbraw/zinc/65/15/17/516651517.db2.gz WXBVRFSBAXTXQC-UHFFFAOYSA-N -1 2 359.411 2.714 20 0 FFADLM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1F ZINC000536191909 516670082 /nfs/dbraw/zinc/67/00/82/516670082.db2.gz LJZKKHNLBSPILQ-UHFFFAOYSA-N -1 2 362.386 2.770 20 0 FFADLM O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1cc(F)cc(Cl)c1 ZINC000533709909 517581443 /nfs/dbraw/zinc/58/14/43/517581443.db2.gz GGGNVAGPVLEMTC-UHFFFAOYSA-N -1 2 374.890 2.877 20 0 FFADLM C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(Br)c3O)C2)C1 ZINC000563754979 518108676 /nfs/dbraw/zinc/10/86/76/518108676.db2.gz ZKWNFPOPETYZQP-INIZCTEOSA-N -1 2 353.260 2.713 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c(F)c1 ZINC000588625677 518790834 /nfs/dbraw/zinc/79/08/34/518790834.db2.gz OUJUOEDOFGBTKX-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000569100867 519377079 /nfs/dbraw/zinc/37/70/79/519377079.db2.gz MVVBWWBOGBWYMC-UHFFFAOYSA-N -1 2 358.803 2.954 20 0 FFADLM COc1ccc(CC2CC[NH+](Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)cc1 ZINC000624204456 522540490 /nfs/dbraw/zinc/54/04/90/522540490.db2.gz KOPTYZLATDETRX-UHFFFAOYSA-N -1 2 367.453 2.532 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1C(=O)[O-] ZINC000738746129 600052230 /nfs/dbraw/zinc/05/22/30/600052230.db2.gz DJDYOTJXOHDQIG-UHFFFAOYSA-N -1 2 352.437 2.829 20 0 FFADLM Cc1nc(NS(=O)(=O)c2cc(C)cc3cccnc32)sc1C(=O)[O-] ZINC000738478622 600054631 /nfs/dbraw/zinc/05/46/31/600054631.db2.gz ZGUBYENOZQVPOX-UHFFFAOYSA-N -1 2 363.420 2.807 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000738241044 600054965 /nfs/dbraw/zinc/05/49/65/600054965.db2.gz SESJZWCNGAPRHL-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c1 ZINC000738688761 600055418 /nfs/dbraw/zinc/05/54/18/600055418.db2.gz KGBTZYAKSDVDPL-UHFFFAOYSA-N -1 2 371.418 2.625 20 0 FFADLM COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738143491 600237466 /nfs/dbraw/zinc/23/74/66/600237466.db2.gz ZLVUKOFRUYNHSK-UHFFFAOYSA-N -1 2 373.333 2.796 20 0 FFADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000829373014 601201870 /nfs/dbraw/zinc/20/18/70/601201870.db2.gz BUIKWJYJYOCFQY-UHFFFAOYSA-N -1 2 365.455 2.810 20 0 FFADLM CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830109578 601383889 /nfs/dbraw/zinc/38/38/89/601383889.db2.gz GLBFSTWMHSSHCJ-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000832852859 601503994 /nfs/dbraw/zinc/50/39/94/601503994.db2.gz NRXIQKSARBDWSL-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM Cc1ccc(F)c(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000321250619 601770864 /nfs/dbraw/zinc/77/08/64/601770864.db2.gz KCBLJJRQPLRAOA-UHFFFAOYSA-N -1 2 358.416 2.799 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1F ZINC000321115167 601770881 /nfs/dbraw/zinc/77/08/81/601770881.db2.gz BCEGFZNLBWQKJX-UHFFFAOYSA-N -1 2 358.416 2.799 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000833345825 601834988 /nfs/dbraw/zinc/83/49/88/601834988.db2.gz ZAYSXQOVYKPWPI-UHFFFAOYSA-N -1 2 368.436 2.964 20 0 FFADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2cccc(C(=O)[O-])c2)=N1 ZINC000678933759 602058077 /nfs/dbraw/zinc/05/80/77/602058077.db2.gz ZUONDTMYACATDO-UHFFFAOYSA-N -1 2 369.352 2.654 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831852041 602119624 /nfs/dbraw/zinc/11/96/24/602119624.db2.gz OEQMTUMICRKFAQ-DAXSKMNVSA-N -1 2 369.345 2.872 20 0 FFADLM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000832923949 602156030 /nfs/dbraw/zinc/15/60/30/602156030.db2.gz VANJHKFCHOHOKY-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM O=C([O-])N1CCc2cc(NS(=O)(=O)c3ccc(F)c(F)c3F)ccc21 ZINC000740530489 602246538 /nfs/dbraw/zinc/24/65/38/602246538.db2.gz YPZWOOXQCLAZDA-UHFFFAOYSA-N -1 2 372.324 2.945 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(CCc3ccccc3)n[nH]2)c1 ZINC000833334976 602307138 /nfs/dbraw/zinc/30/71/38/602307138.db2.gz XLQSUSKSUUTICD-UHFFFAOYSA-N -1 2 371.418 2.694 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000833243164 604625366 /nfs/dbraw/zinc/62/53/66/604625366.db2.gz ASNKJOAKCIVZRD-BQYQJAHWSA-N -1 2 356.400 2.712 20 0 FFADLM CC(C)Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[nH]n1 ZINC000833491201 604990868 /nfs/dbraw/zinc/99/08/68/604990868.db2.gz LSSUGWRVWOYXDR-UHFFFAOYSA-N -1 2 357.819 2.761 20 0 FFADLM N#Cc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000182927779 729291255 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CCc1nccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001597703695 988942548 /nfs/dbraw/zinc/94/25/48/988942548.db2.gz VXCTWRUUTARXCD-UHFFFAOYSA-N -1 2 368.386 2.599 20 0 FFADLM Cc1ccc2c(=O)c(C(=O)NCCc3cn4cccc(C)c4n3)c[n-]c2[nH+]1 ZINC000673756892 989229888 /nfs/dbraw/zinc/22/98/88/989229888.db2.gz YVSWCGFNDMHBNP-UHFFFAOYSA-N -1 2 361.405 2.572 20 0 FFADLM CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2[nH]c1=S ZINC001597860005 989632438 /nfs/dbraw/zinc/63/24/38/989632438.db2.gz GXEWRPXEDBHNLX-UHFFFAOYSA-N -1 2 369.402 2.656 20 0 FFADLM Cc1ccc([C@H](CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)C(=O)[O-])cc1 ZINC000738569428 991302277 /nfs/dbraw/zinc/30/22/77/991302277.db2.gz FIOLUJUGKAYYPO-HNNXBMFYSA-N -1 2 365.389 2.550 20 0 FFADLM COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599606574 993894014 /nfs/dbraw/zinc/89/40/14/993894014.db2.gz IJWPOZCJQWXGMO-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC001599293527 997098616 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O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC001192106962 1004055687 /nfs/dbraw/zinc/05/56/87/1004055687.db2.gz SEKOOELNVNOANV-UHFFFAOYSA-N -1 2 374.340 2.918 20 0 FFADLM Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279812 1006499759 /nfs/dbraw/zinc/49/97/59/1006499759.db2.gz PHOWSXVCGYKHKN-UHFFFAOYSA-N -1 2 371.846 2.870 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3cnoc32)ccc1Cl ZINC001188323836 1006513551 /nfs/dbraw/zinc/51/35/51/1006513551.db2.gz TZXXNNYIUCOPJJ-UHFFFAOYSA-N -1 2 352.755 2.980 20 0 FFADLM O=C(NCCCC[P@](=O)([O-])O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC001154489387 1028318298 /nfs/dbraw/zinc/31/82/98/1028318298.db2.gz CBAJSKTZJWXDIV-UHFFFAOYSA-N -1 2 373.349 2.918 20 0 FFADLM O=C(NCCCC[P@@](=O)([O-])O)c1cccc2nc(-c3ccccc3)[nH]c21 ZINC001154489387 1028318316 /nfs/dbraw/zinc/31/83/16/1028318316.db2.gz CBAJSKTZJWXDIV-UHFFFAOYSA-N -1 2 373.349 2.918 20 0 FFADLM Cc1[nH+]ccn1CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC001142448180 1030465513 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353.374 2.954 20 0 FFADLM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(O)c1Cl)C2 ZINC001278910605 1038382245 /nfs/dbraw/zinc/38/22/45/1038382245.db2.gz KXMRJADJFUNBPT-ZBFHGGJFSA-N -1 2 360.889 2.968 20 0 FFADLM O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(F)cc1F ZINC001256109971 1038389025 /nfs/dbraw/zinc/38/90/25/1038389025.db2.gz HYOIKTKQCRUOKC-OAHLLOKOSA-N -1 2 370.396 2.657 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)c1 ZINC001260184493 1040445227 /nfs/dbraw/zinc/44/52/27/1040445227.db2.gz NVMWTYYRWVJYKQ-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM Cc1cccc(-n2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260223282 1040473892 /nfs/dbraw/zinc/47/38/92/1040473892.db2.gz LKGGUSWHPQOYPK-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(F)ccc(O)c1F ZINC001279499230 1043193420 /nfs/dbraw/zinc/19/34/20/1043193420.db2.gz YEMBRKFFNUTNAP-HOTGVXAUSA-N -1 2 362.424 2.736 20 0 FFADLM CN1CC[NH+](Cc2cccc(CNC(=O)c3ccc(Cl)c(O)c3)c2)CC1 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ZINC000127558356 508468227 /nfs/dbraw/zinc/46/82/27/508468227.db2.gz YYYXDNWWHRDBLK-UHFFFAOYSA-N -1 2 360.377 2.508 20 0 FFADLM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000152574050 508472641 /nfs/dbraw/zinc/47/26/41/508472641.db2.gz MMDHPAYKPZVYFE-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM COc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc(Cl)c1O ZINC000153545031 508594130 /nfs/dbraw/zinc/59/41/30/508594130.db2.gz DOONTSIMGZCKTI-UHFFFAOYSA-N -1 2 360.841 2.842 20 0 FFADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)on1 ZINC000265639066 510151955 /nfs/dbraw/zinc/15/19/55/510151955.db2.gz IUBGEKZTQBXTFZ-ZDUSSCGKSA-N -1 2 351.410 2.976 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000295200795 511319693 /nfs/dbraw/zinc/31/96/93/511319693.db2.gz NFIGZPIITSKDOT-LLVKDONJSA-N -1 2 353.421 2.751 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cs1 ZINC000324803719 511840423 /nfs/dbraw/zinc/84/04/23/511840423.db2.gz JAUILDAROPONCC-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc([C@@H]2CCCOC2)n[nH]1 ZINC000281930842 512014686 /nfs/dbraw/zinc/01/46/86/512014686.db2.gz HVVBPPJNOJGPHH-GFCCVEGCSA-N -1 2 353.419 2.860 20 0 FFADLM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2s1 ZINC000433802107 513154150 /nfs/dbraw/zinc/15/41/50/513154150.db2.gz ODHATJKOZIBQMI-UHFFFAOYSA-N -1 2 364.404 2.809 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O)c(Br)c1 ZINC000433802734 513154268 /nfs/dbraw/zinc/15/42/68/513154268.db2.gz ADXSAJTWDQXPGJ-UHFFFAOYSA-N -1 2 372.196 2.654 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)NC(C)(C)CCC(=O)[O-])s[nH]1 ZINC000417779259 513204265 /nfs/dbraw/zinc/20/42/65/513204265.db2.gz BBJLGHKPHRRLKG-UHFFFAOYSA-N -1 2 354.457 2.762 20 0 FFADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc(OC)c1C ZINC000431154731 513840767 /nfs/dbraw/zinc/84/07/67/513840767.db2.gz YADKICQPRGLJNF-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c(OC)c1 ZINC000443413690 513965020 /nfs/dbraw/zinc/96/50/20/513965020.db2.gz AZDFKNDMJVNWFQ-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000437006987 514073061 /nfs/dbraw/zinc/07/30/61/514073061.db2.gz WZAZYTSHMBTPIB-UHFFFAOYSA-N -1 2 369.782 2.747 20 0 FFADLM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000437006474 514073631 /nfs/dbraw/zinc/07/36/31/514073631.db2.gz VOEXQVNDYCAUSL-UHFFFAOYSA-N -1 2 367.354 2.541 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000414379478 514077421 /nfs/dbraw/zinc/07/74/21/514077421.db2.gz GQPORBRYXKOFFA-GFCCVEGCSA-N -1 2 364.423 2.544 20 0 FFADLM CC(=O)c1ccsc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000427302962 514176610 /nfs/dbraw/zinc/17/66/10/514176610.db2.gz VUKRPZOYVFQFIT-UHFFFAOYSA-N -1 2 353.421 2.769 20 0 FFADLM CC(C)(CCNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(=O)[O-] ZINC000424380017 514466455 /nfs/dbraw/zinc/46/64/55/514466455.db2.gz JGOUIZUFOSKVHD-UHFFFAOYSA-N -1 2 368.846 2.903 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC000484813749 514803474 /nfs/dbraw/zinc/80/34/74/514803474.db2.gz NLOGZMTZMOKQEL-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(F)c1 ZINC000484973126 514861628 /nfs/dbraw/zinc/86/16/28/514861628.db2.gz JKDKJGNMNBWIIF-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000467764174 515106746 /nfs/dbraw/zinc/10/67/46/515106746.db2.gz ZMRTVIYDNVQDBP-UHFFFAOYSA-N -1 2 351.380 2.876 20 0 FFADLM Cc1oncc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000507019592 516055376 /nfs/dbraw/zinc/05/53/76/516055376.db2.gz DQQCTMZXHZSWII-UHFFFAOYSA-N -1 2 374.802 2.681 20 0 FFADLM CCc1ncc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)s1 ZINC000460782480 516247611 /nfs/dbraw/zinc/24/76/11/516247611.db2.gz IXYZFXSKUVMQAZ-UHFFFAOYSA-N -1 2 354.453 2.914 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000512727849 516339287 /nfs/dbraw/zinc/33/92/87/516339287.db2.gz BHIKGUUYVGIATK-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512742104 516342216 /nfs/dbraw/zinc/34/22/16/516342216.db2.gz GUSDDYOIUVAKFL-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000517567555 516368404 /nfs/dbraw/zinc/36/84/04/516368404.db2.gz LQCMHGNKLIESMA-UHFFFAOYSA-N -1 2 368.386 2.735 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000547545636 516400154 /nfs/dbraw/zinc/40/01/54/516400154.db2.gz RMQVONCBUGBLFP-UHFFFAOYSA-N -1 2 352.318 2.644 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000547614714 516437674 /nfs/dbraw/zinc/43/76/74/516437674.db2.gz JYAPKVCVNGKBAQ-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CCc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1O ZINC000530721452 517941080 /nfs/dbraw/zinc/94/10/80/517941080.db2.gz UFPMADTUQHFMPV-UHFFFAOYSA-N -1 2 354.450 2.791 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1[C@H](C)C1CC1 ZINC000543164703 517941114 /nfs/dbraw/zinc/94/11/14/517941114.db2.gz VSVAAGYOFTUUHP-GFCCVEGCSA-N -1 2 363.439 2.970 20 0 FFADLM O=C(N[C@H]1CCOc2c(Br)cccc21)c1cccc2[nH]nnc21 ZINC000578454558 518218820 /nfs/dbraw/zinc/21/88/20/518218820.db2.gz ISSOUBFOSNCJFZ-LBPRGKRZSA-N -1 2 373.210 2.974 20 0 FFADLM CCOc1nc2cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)ccc2[nH]1 ZINC000565354550 518913116 /nfs/dbraw/zinc/91/31/16/518913116.db2.gz ODPGIKMDOLEJTL-CZUORRHYSA-N -1 2 369.425 2.937 20 0 FFADLM CCn1nc(NS(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)cc1C1CC1 ZINC000569103364 519379399 /nfs/dbraw/zinc/37/93/99/519379399.db2.gz DFHLGAJMQCERSS-UHFFFAOYSA-N -1 2 367.402 2.727 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)s1 ZINC000614768834 521130887 /nfs/dbraw/zinc/13/08/87/521130887.db2.gz ITUUAHAYVSEXTB-UHFFFAOYSA-N -1 2 355.393 2.538 20 0 FFADLM O=C(N=c1nc(C2CCOCC2)[n-]s1)c1ccc2ccccc2c1O ZINC000629100074 521961983 /nfs/dbraw/zinc/96/19/83/521961983.db2.gz KHCRELXCZCIDRK-UHFFFAOYSA-N -1 2 355.419 2.965 20 0 FFADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000392100685 597312655 /nfs/dbraw/zinc/31/26/55/597312655.db2.gz YYRQUKHAIAIMFT-UHFFFAOYSA-N -1 2 370.770 2.676 20 0 FFADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000739874946 599927871 /nfs/dbraw/zinc/92/78/71/599927871.db2.gz ZJUFNAMIYCUBRR-UHFFFAOYSA-N -1 2 355.412 2.944 20 0 FFADLM O=C([O-])Cc1csc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000314315479 600050781 /nfs/dbraw/zinc/05/07/81/600050781.db2.gz OWQQKOUAHBNOEN-AATRIKPKSA-N -1 2 358.828 2.836 20 0 FFADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738823822 600069994 /nfs/dbraw/zinc/06/99/94/600069994.db2.gz OJSKMGPTXPGORJ-UHFFFAOYSA-N -1 2 369.468 2.535 20 0 FFADLM Cc1cccnc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738790048 600102453 /nfs/dbraw/zinc/10/24/53/600102453.db2.gz VROHLCUEUAUJCC-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(F)c2)s1 ZINC000740177978 600473120 /nfs/dbraw/zinc/47/31/20/600473120.db2.gz YDXVMBSSRXPCGP-UHFFFAOYSA-N -1 2 367.383 2.572 20 0 FFADLM COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1C ZINC000831348375 600810342 /nfs/dbraw/zinc/81/03/42/600810342.db2.gz GLQCIUHHZPCGDQ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c(Cl)cc1F ZINC000743268668 601484787 /nfs/dbraw/zinc/48/47/87/601484787.db2.gz DLUGOTMPISWJQD-UHFFFAOYSA-N -1 2 373.793 2.585 20 0 FFADLM Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000123512141 601501571 /nfs/dbraw/zinc/50/15/71/601501571.db2.gz QZRFBQPPEWTLRK-UHFFFAOYSA-N -1 2 368.223 2.652 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000829373180 601502205 /nfs/dbraw/zinc/50/22/05/601502205.db2.gz JPVAURIXPGBVHE-UHFFFAOYSA-N -1 2 355.441 2.770 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c(F)c1 ZINC000404959217 601771058 /nfs/dbraw/zinc/77/10/58/601771058.db2.gz JXECYXTUPXKJSK-UHFFFAOYSA-N -1 2 358.416 2.799 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc(C)c1F ZINC000832904296 602105311 /nfs/dbraw/zinc/10/53/11/602105311.db2.gz FNJCTCWFTSGTQO-UHFFFAOYSA-N -1 2 373.431 2.502 20 0 FFADLM CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833447029 604689310 /nfs/dbraw/zinc/68/93/10/604689310.db2.gz MJMXNVIOZCXZMP-UHFFFAOYSA-N -1 2 350.396 2.758 20 0 FFADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000834122303 605878480 /nfs/dbraw/zinc/87/84/80/605878480.db2.gz YKCQZPCXZWDTEW-UHFFFAOYSA-N -1 2 367.814 2.572 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000274967627 729699300 /nfs/dbraw/zinc/69/93/00/729699300.db2.gz VXPWGJZIBNNEES-GMSGAONNSA-N -1 2 359.753 2.726 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000471994327 729904339 /nfs/dbraw/zinc/90/43/39/729904339.db2.gz ZFXRIHNYGPSWLC-UHFFFAOYSA-N -1 2 362.766 2.505 20 0 FFADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753771488 736093096 /nfs/dbraw/zinc/09/30/96/736093096.db2.gz PLUBEMYDTRTWPU-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 ZINC000907410816 736623246 /nfs/dbraw/zinc/62/32/46/736623246.db2.gz MAAUAENEODTPQW-LBPRGKRZSA-N -1 2 358.467 2.640 20 0 FFADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777645643 738309484 /nfs/dbraw/zinc/30/94/84/738309484.db2.gz RTSWHHNEWJJDTN-UHFFFAOYSA-N -1 2 363.439 2.501 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000833334912 745782968 /nfs/dbraw/zinc/78/29/68/745782968.db2.gz SMVNXUZPBLCOGX-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM COc1ccc(C)cc1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000325380972 971210363 /nfs/dbraw/zinc/21/03/63/971210363.db2.gz WTDXIWPTDAVMTJ-UHFFFAOYSA-N -1 2 370.452 2.668 20 0 FFADLM O=C([O-])c1cc(NC(=O)c2cccc(Br)c2O)ccc1O ZINC001595209405 952357183 /nfs/dbraw/zinc/35/71/83/952357183.db2.gz KYLVKNWLZQAWRK-UHFFFAOYSA-N -1 2 352.140 2.811 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C ZINC001595028612 979153257 /nfs/dbraw/zinc/15/32/57/979153257.db2.gz OWENGSWNHQTTEA-NSHDSACASA-N -1 2 351.428 2.970 20 0 FFADLM CCCc1csc(NS(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001596074642 983389189 /nfs/dbraw/zinc/38/91/89/983389189.db2.gz GJPKCHAFKOSXDB-UHFFFAOYSA-N -1 2 358.416 2.663 20 0 FFADLM CCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)nc(C)n1 ZINC001597482665 987981330 /nfs/dbraw/zinc/98/13/30/987981330.db2.gz RASMLQNTQZCGJD-UHFFFAOYSA-N -1 2 363.439 2.510 20 0 FFADLM CSc1ccc(Cl)cc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599814799 988402466 /nfs/dbraw/zinc/40/24/66/988402466.db2.gz RVDOYMMSVNPFPP-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM CCc1cccc(S(=O)(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001597601248 988457711 /nfs/dbraw/zinc/45/77/11/988457711.db2.gz UMOKBNQNYDSHSJ-NSHDSACASA-N -1 2 366.464 2.696 20 0 FFADLM CC(C)CCc1cc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001591266751 992182457 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Cc1c(Cl)nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195202381 1004915467 /nfs/dbraw/zinc/91/54/67/1004915467.db2.gz ZYMSWRSGYVWMCV-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM Cn1ccc(C(=O)Nc2ccc(F)c(Br)c2O)c1CC(=O)[O-] ZINC001177367279 1008579530 /nfs/dbraw/zinc/57/95/30/1008579530.db2.gz IQXMSPUQZXZHQT-UHFFFAOYSA-N -1 2 371.162 2.512 20 0 FFADLM O=C([O-])c1nnc(Cl)cc1C(F)(F)Nc1cccn(CC2CC2)c1=O ZINC001158534929 1027054286 /nfs/dbraw/zinc/05/42/86/1027054286.db2.gz KTIUZCANUBZQOF-UHFFFAOYSA-N -1 2 370.743 2.561 20 0 FFADLM O=c1[nH]c2nc(=O)[nH]c(Nc3[nH+]c(N4CCCC4)cc4ccccc43)c2[nH]1 ZINC001159195967 1027304621 /nfs/dbraw/zinc/30/46/21/1027304621.db2.gz SZBZAULAKGXXMU-UHFFFAOYSA-N -1 2 363.381 2.608 20 0 FFADLM CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(O)c1Br ZINC001140549041 1035611372 /nfs/dbraw/zinc/61/13/72/1035611372.db2.gz DLIISDMYDKRAPF-INIZCTEOSA-N -1 2 353.260 2.742 20 0 FFADLM CC(C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(F)c(O)c3F)C2)C1=O ZINC001277992563 1038169604 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2 363.325 2.922 20 0 FFADLM O=C(c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(F)c1)N1CCCCC1 ZINC001243909305 1045046240 /nfs/dbraw/zinc/04/62/40/1045046240.db2.gz IIVBOENZNCPNPM-UHFFFAOYSA-N -1 2 363.325 2.922 20 0 FFADLM CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001290108993 1047832653 /nfs/dbraw/zinc/83/26/53/1047832653.db2.gz RIZLGXUGKGRCPP-GOSISDBHSA-N -1 2 373.478 2.829 20 0 FFADLM O=S(=O)(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(F)c1F ZINC001464356225 1062566399 /nfs/dbraw/zinc/56/63/99/1062566399.db2.gz DRZJQJJEXFCIPD-OAHLLOKOSA-N -1 2 363.389 2.881 20 0 FFADLM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ncc(Br)cc2O)c1 ZINC001589532518 1080588945 /nfs/dbraw/zinc/58/89/45/1080588945.db2.gz QXTFOKMXAWWEPD-QMMMGPOBSA-N -1 2 365.183 2.990 20 0 FFADLM CC(C)CCn1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000164634767 509520666 /nfs/dbraw/zinc/52/06/66/509520666.db2.gz KPRKWRMIEAPAET-UHFFFAOYSA-N -1 2 355.391 2.567 20 0 FFADLM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000192811521 509653213 /nfs/dbraw/zinc/65/32/13/509653213.db2.gz QJQLIHKOKALHPU-UHFFFAOYSA-N -1 2 363.299 2.502 20 0 FFADLM CCn1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C1CC1 ZINC000269106564 510238373 /nfs/dbraw/zinc/23/83/73/510238373.db2.gz WCHWKTUUKKILFN-UHFFFAOYSA-N -1 2 369.830 2.933 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C2CCCC2)c1C ZINC000194226685 510271180 /nfs/dbraw/zinc/27/11/80/510271180.db2.gz JVGPNXVQFSBCHL-UHFFFAOYSA-N -1 2 353.400 2.707 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1C1CCCC1 ZINC000194229807 510271216 /nfs/dbraw/zinc/27/12/16/510271216.db2.gz SHQZPEQCGACRMF-UHFFFAOYSA-N -1 2 367.402 2.945 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000181660643 510525646 /nfs/dbraw/zinc/52/56/46/510525646.db2.gz ZYXNPISPBRYVQA-UHFFFAOYSA-N -1 2 351.428 2.655 20 0 FFADLM C[C@H]1CC[N@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCS1 ZINC000334029378 511430868 /nfs/dbraw/zinc/43/08/68/511430868.db2.gz JRZVKCUEXGIIHQ-ZDUSSCGKSA-N -1 2 355.467 2.849 20 0 FFADLM Cc1c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c2ccccc2n1C ZINC000436542279 513891390 /nfs/dbraw/zinc/89/13/90/513891390.db2.gz BFNMARIPDKMYMM-UHFFFAOYSA-N -1 2 360.391 2.691 20 0 FFADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000436610247 513916576 /nfs/dbraw/zinc/91/65/76/513916576.db2.gz SXVSQGHHFYJECI-UHFFFAOYSA-N -1 2 367.354 2.623 20 0 FFADLM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cc(Br)ccc1O ZINC000436961075 514051744 /nfs/dbraw/zinc/05/17/44/514051744.db2.gz JAVLKOVQYCAVSR-UHFFFAOYSA-N -1 2 350.094 3.149 20 0 FFADLM CC[NH+](CC)[C@H](CN=c1ccc(C(=O)NC2CCCC2)n[nH]1)c1ccco1 ZINC000432352498 514169722 /nfs/dbraw/zinc/16/97/22/514169722.db2.gz BNJXMFRMHXMTQI-QGZVFWFLSA-N -1 2 371.485 3.237 20 0 FFADLM CC(C)COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000438763031 514437236 /nfs/dbraw/zinc/43/72/36/514437236.db2.gz FFKQBEBZEUAZJM-UHFFFAOYSA-N -1 2 368.386 2.755 20 0 FFADLM CC(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433510175 514507179 /nfs/dbraw/zinc/50/71/79/514507179.db2.gz FRBYXWGTXKBWOZ-UHFFFAOYSA-N -1 2 365.407 2.926 20 0 FFADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433520901 514508736 /nfs/dbraw/zinc/50/87/36/514508736.db2.gz RAQNLLUHUXMWDV-UHFFFAOYSA-N -1 2 365.407 2.988 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)[nH]n2)o1 ZINC000507981779 514629947 /nfs/dbraw/zinc/62/99/47/514629947.db2.gz ZLYDHSHDMPCAGY-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)n[nH]2)o1 ZINC000507981779 514629956 /nfs/dbraw/zinc/62/99/56/514629956.db2.gz ZLYDHSHDMPCAGY-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000489010013 514670802 /nfs/dbraw/zinc/67/08/02/514670802.db2.gz VDLWVYWNBHVZNR-UHFFFAOYSA-N -1 2 356.425 2.522 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1sc(C)nc1C ZINC000484569138 514695459 /nfs/dbraw/zinc/69/54/59/514695459.db2.gz ZAJJZHBFDNOHNK-UHFFFAOYSA-N -1 2 358.466 2.981 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccnc2OCC(F)F)cc1C(=O)[O-] ZINC000498480636 514922440 /nfs/dbraw/zinc/92/24/40/514922440.db2.gz KCZLKOBYQXBCPC-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000489741598 514956744 /nfs/dbraw/zinc/95/67/44/514956744.db2.gz IFMUBBWTPUGOKK-UHFFFAOYSA-N -1 2 369.830 2.927 20 0 FFADLM COc1c(Cl)cccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485285784 514982971 /nfs/dbraw/zinc/98/29/71/514982971.db2.gz IKCNCTHPVUJLCN-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)nc1C ZINC000459395013 515522749 /nfs/dbraw/zinc/52/27/49/515522749.db2.gz AMOQKJRBDFEWJD-JTQLQIEISA-N -1 2 362.455 2.852 20 0 FFADLM CC1(C)C[N@H+](Cc2cccc(O)c2Br)C[C@]2(CCOC2)O1 ZINC000459530655 515624438 /nfs/dbraw/zinc/62/44/38/515624438.db2.gz PVDQVQXHMHCXSO-INIZCTEOSA-N -1 2 356.260 2.925 20 0 FFADLM CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)CC1 ZINC000459536544 515627792 /nfs/dbraw/zinc/62/77/92/515627792.db2.gz SJSWTWJIKAXSLB-GFCCVEGCSA-N -1 2 362.289 2.554 20 0 FFADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000507023480 516058309 /nfs/dbraw/zinc/05/83/09/516058309.db2.gz VHPMSIHGFBVWER-UHFFFAOYSA-N -1 2 351.380 2.680 20 0 FFADLM COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])c1 ZINC000547609321 516434474 /nfs/dbraw/zinc/43/44/74/516434474.db2.gz UAVZZFQTXPEDTP-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COc1cc(C)c(NS(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000548232091 516841323 /nfs/dbraw/zinc/84/13/23/516841323.db2.gz DOPHFABMCALAOX-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000548241472 516847319 /nfs/dbraw/zinc/84/73/19/516847319.db2.gz CDGOSQQNMPVPRQ-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000519216573 516927665 /nfs/dbraw/zinc/92/76/65/516927665.db2.gz PHRPKHSAQGNBKV-UHFFFAOYSA-N -1 2 371.436 2.963 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1C ZINC000533261924 517373337 /nfs/dbraw/zinc/37/33/37/517373337.db2.gz OJTJSTBNBZSPPA-UHFFFAOYSA-N -1 2 363.317 2.544 20 0 FFADLM Cc1ccc2c(C[N@@H+]3CCNC(=O)[C@@H]3c3cccs3)ccc(O)c2n1 ZINC000549140774 517418060 /nfs/dbraw/zinc/41/80/60/517418060.db2.gz RLEOZUHQPSOMLB-SFHVURJKSA-N -1 2 353.447 2.983 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1-c1ccccc1 ZINC000538940134 517854637 /nfs/dbraw/zinc/85/46/37/517854637.db2.gz IFUGISXAHKGEMF-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=S(=O)(CC(F)(F)F)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564404487 518435739 /nfs/dbraw/zinc/43/57/39/518435739.db2.gz XRSFYCYTGCMXAE-HNNXBMFYSA-N -1 2 364.433 2.770 20 0 FFADLM Cc1cc(=NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)[nH]nc1C ZINC000582768053 518911405 /nfs/dbraw/zinc/91/14/05/518911405.db2.gz HTLMJMFPKDOSET-UHFFFAOYSA-N -1 2 353.470 3.270 20 0 FFADLM O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1csc(NC2CC2)n1 ZINC000571211914 518981068 /nfs/dbraw/zinc/98/10/68/518981068.db2.gz NXKVOXWYUWPKRG-UHFFFAOYSA-N -1 2 373.869 3.487 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000565774483 519126563 /nfs/dbraw/zinc/12/65/63/519126563.db2.gz BAFRXUYEMSHIAJ-UHFFFAOYSA-N -1 2 369.418 2.794 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c(F)c1 ZINC000590565983 519267674 /nfs/dbraw/zinc/26/76/74/519267674.db2.gz XPHPJWDWBMOAJS-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CCOC1(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)CCOCC1 ZINC000629294586 522096634 /nfs/dbraw/zinc/09/66/34/522096634.db2.gz ZFMYDIZXEUESRI-UHFFFAOYSA-N -1 2 367.826 2.512 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)s[nH]1 ZINC000630566802 522936784 /nfs/dbraw/zinc/93/67/84/522936784.db2.gz BKVYBTHOPMHWIH-NXEZZACHSA-N -1 2 366.468 2.571 20 0 FFADLM O=C(N=c1nc2n([nH]1)CCCC2)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000517696397 562095402 /nfs/dbraw/zinc/09/54/02/562095402.db2.gz KLUHBYGZPJHOSY-QGZVFWFLSA-N -1 2 368.485 2.791 20 0 FFADLM Cc1nc(NS(=O)(=O)c2cccc(Cl)c2F)sc1C(=O)[O-] ZINC000738364862 600054649 /nfs/dbraw/zinc/05/46/49/600054649.db2.gz XQPBSGIGVRTTBO-UHFFFAOYSA-N -1 2 350.780 2.743 20 0 FFADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737693003 600097819 /nfs/dbraw/zinc/09/78/19/600097819.db2.gz HVJRNMKDDDDDSE-UHFFFAOYSA-N -1 2 368.342 2.503 20 0 FFADLM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2o1 ZINC000738875722 600232699 /nfs/dbraw/zinc/23/26/99/600232699.db2.gz RWDLWJOIHCCAOQ-UHFFFAOYSA-N -1 2 368.317 2.913 20 0 FFADLM Cc1cc2sc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nc2c(C)c1 ZINC000832874361 600827673 /nfs/dbraw/zinc/82/76/73/600827673.db2.gz GTWABRYGZHHOFR-UHFFFAOYSA-N -1 2 365.436 2.751 20 0 FFADLM Cc1[nH]c(C(=O)CS(=O)(=O)[C@H](C)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000832966746 600975230 /nfs/dbraw/zinc/97/52/30/600975230.db2.gz XSCGKGUNBGNNCI-CYBMUJFWSA-N -1 2 363.435 2.997 20 0 FFADLM Cc1[nH]c(C(O)=CS(=O)(=O)[C@H](C)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000832966746 600975232 /nfs/dbraw/zinc/97/52/32/600975232.db2.gz XSCGKGUNBGNNCI-CYBMUJFWSA-N -1 2 363.435 2.997 20 0 FFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000833318275 600988906 /nfs/dbraw/zinc/98/89/06/600988906.db2.gz LVFHILRGUJCQQQ-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000829373375 601502293 /nfs/dbraw/zinc/50/22/93/601502293.db2.gz UDEWNGLYIMVDOQ-UHFFFAOYSA-N -1 2 355.441 2.770 20 0 FFADLM CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000826528118 601502828 /nfs/dbraw/zinc/50/28/28/601502828.db2.gz JPKOYINVXIZCGT-RMKNXTFCSA-N -1 2 367.452 2.734 20 0 FFADLM O=C([O-])C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccccc1 ZINC000833200428 601756312 /nfs/dbraw/zinc/75/63/12/601756312.db2.gz RRDNSCVPZQNVHO-HNNXBMFYSA-N -1 2 369.352 2.663 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000833333688 602103780 /nfs/dbraw/zinc/10/37/80/602103780.db2.gz FRHLWVGPJXBDCP-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)ccc1F ZINC000833304037 602308732 /nfs/dbraw/zinc/30/87/32/602308732.db2.gz MBPRPCVTVMQTEP-UHFFFAOYSA-N -1 2 353.375 2.705 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccc(OCCNC(=O)[O-])c2)s1 ZINC000740151317 602455624 /nfs/dbraw/zinc/45/56/24/602455624.db2.gz ZJACWSFHENDQRW-UHFFFAOYSA-N -1 2 356.425 2.504 20 0 FFADLM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])n2)cc1 ZINC000740096028 602544780 /nfs/dbraw/zinc/54/47/80/602544780.db2.gz FAUCSECDEUOEBG-HNNXBMFYSA-N -1 2 365.393 2.598 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740241993 602869134 /nfs/dbraw/zinc/86/91/34/602869134.db2.gz HMLJWXMITMTUER-UHFFFAOYSA-N -1 2 352.416 2.972 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c2cccnc12 ZINC000833733339 604503153 /nfs/dbraw/zinc/50/31/53/604503153.db2.gz OUFVHUMZQOXVJV-UHFFFAOYSA-N -1 2 362.363 2.644 20 0 FFADLM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000834164312 605384353 /nfs/dbraw/zinc/38/43/53/605384353.db2.gz NXEZKHYRBMMVHM-RBSFLKMASA-N -1 2 369.425 2.572 20 0 FFADLM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000064479101 728150382 /nfs/dbraw/zinc/15/03/82/728150382.db2.gz OOAJELNFZNQZEH-UHFFFAOYSA-N -1 2 366.782 2.719 20 0 FFADLM COc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1NS(C)(=O)=O ZINC000146585391 728742949 /nfs/dbraw/zinc/74/29/49/728742949.db2.gz SLNWYALORKGWQR-UHFFFAOYSA-N -1 2 370.814 2.678 20 0 FFADLM COCC1(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)CC1 ZINC000641685246 730245838 /nfs/dbraw/zinc/24/58/38/730245838.db2.gz GBLVCNRTFHIMRJ-UHFFFAOYSA-N -1 2 370.652 2.729 20 0 FFADLM CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O)C1CCCCC1 ZINC000656625888 731612742 /nfs/dbraw/zinc/61/27/42/731612742.db2.gz GFLYSTJCJOEKEE-QGZVFWFLSA-N -1 2 355.456 2.932 20 0 FFADLM CC(C)([NH3+])c1cc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)on1 ZINC000662583514 732337149 /nfs/dbraw/zinc/33/71/49/732337149.db2.gz VCHNDCMKDFIHJN-UHFFFAOYSA-N -1 2 361.402 2.702 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)F ZINC000677552476 733953295 /nfs/dbraw/zinc/95/32/95/733953295.db2.gz UPHYBDSSJABTJW-UHFFFAOYSA-N -1 2 365.745 2.510 20 0 FFADLM CCc1cc2c(C[N@@H+]3CCO[C@]4(CCSC4)C3)cc(=O)oc2cc1O ZINC000829285545 745188290 /nfs/dbraw/zinc/18/82/90/745188290.db2.gz DSTYZOWKGFVYLP-LJQANCHMSA-N -1 2 361.463 2.769 20 0 FFADLM COc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)sc2c1 ZINC000013345275 957031860 /nfs/dbraw/zinc/03/18/60/957031860.db2.gz YNMGVGPXTIWHBY-UHFFFAOYSA-N -1 2 364.404 2.804 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000390695216 972299824 /nfs/dbraw/zinc/29/98/24/972299824.db2.gz RFQVFBMKSQLSPJ-UHFFFAOYSA-N -1 2 358.803 2.806 20 0 FFADLM COCCc1ccccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000392579582 972499543 /nfs/dbraw/zinc/49/95/43/972499543.db2.gz URTWYBNNWVCZNO-UHFFFAOYSA-N -1 2 353.396 2.584 20 0 FFADLM Cc1cc(C(=O)Nc2ccc(O)c(C(C)C)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001175756894 1013553336 /nfs/dbraw/zinc/55/33/36/1013553336.db2.gz ZYMNQZNVPXGXHR-UHFFFAOYSA-N -1 2 354.366 2.826 20 0 FFADLM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000660745117 972707650 /nfs/dbraw/zinc/70/76/50/972707650.db2.gz ARBCZRAOQPGKSW-INIZCTEOSA-N -1 2 354.454 2.509 20 0 FFADLM CCC[C@@H](NC(=O)C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000660747013 972735520 /nfs/dbraw/zinc/73/55/20/972735520.db2.gz OKZIRQZWWOTKCV-MRXNPFEDSA-N -1 2 356.470 2.973 20 0 FFADLM CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cc(C(=O)[O-])co3)=N2)c1 ZINC001591982738 976599851 /nfs/dbraw/zinc/59/98/51/976599851.db2.gz DKJHUQJYLHRLMO-UHFFFAOYSA-N -1 2 369.377 2.923 20 0 FFADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)[nH]n1 ZINC001595579681 981509929 /nfs/dbraw/zinc/50/99/29/981509929.db2.gz SLXAPAONQQFFEJ-LLVKDONJSA-N -1 2 351.428 2.741 20 0 FFADLM O=C(c1cccc(Cl)c1O)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272106272 981663433 /nfs/dbraw/zinc/66/34/33/981663433.db2.gz SSVHGGYNZSKUJD-IBGZPJMESA-N -1 2 374.872 2.897 20 0 FFADLM CCc1ccccc1N1CC(=O)C(C(=O)NCc2cc(C)c(C(=O)[O-])o2)=N1 ZINC001597604046 988476953 /nfs/dbraw/zinc/47/69/53/988476953.db2.gz ALGYKBYWNOOKQB-UHFFFAOYSA-N -1 2 369.377 2.670 20 0 FFADLM CC(C)(C)c1ccccc1S(=O)(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001590515457 990125922 /nfs/dbraw/zinc/12/59/22/990125922.db2.gz LXKSFJBHQXKLSY-UHFFFAOYSA-N -1 2 365.455 2.801 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599584179 993591165 /nfs/dbraw/zinc/59/11/65/993591165.db2.gz GEWFKQUMWHZUGR-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COCc1cccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001599297070 997163600 /nfs/dbraw/zinc/16/36/00/997163600.db2.gz HDTVQKZNXJICNC-UHFFFAOYSA-N -1 2 370.452 2.912 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001599334774 997814325 /nfs/dbraw/zinc/81/43/25/997814325.db2.gz HCIGTLUZROJNDE-UHFFFAOYSA-N -1 2 363.363 2.842 20 0 FFADLM COc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)ccc1C(=O)[O-] ZINC001599459240 998242379 /nfs/dbraw/zinc/24/23/79/998242379.db2.gz HZPPJCYFLQBPNQ-UHFFFAOYSA-N -1 2 367.427 2.506 20 0 FFADLM C[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2C1 ZINC001594450905 999648954 /nfs/dbraw/zinc/64/89/54/999648954.db2.gz OFFKRSDMXUJYHN-ZETCQYMHSA-N -1 2 358.466 2.828 20 0 FFADLM Cc1cccc(-n2nccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184668165 1002681245 /nfs/dbraw/zinc/68/12/45/1002681245.db2.gz QNLZNCOQDUHDDJ-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](c4nn[nH]n4)C3)cs2)cc1 ZINC001197297865 1004153723 /nfs/dbraw/zinc/15/37/23/1004153723.db2.gz SBAUZDZYBGJGEN-ZDUSSCGKSA-N -1 2 356.455 2.533 20 0 FFADLM Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](c4nn[nH]n4)C3)cs2)cc1 ZINC001197297865 1004153728 /nfs/dbraw/zinc/15/37/28/1004153728.db2.gz SBAUZDZYBGJGEN-ZDUSSCGKSA-N -1 2 356.455 2.533 20 0 FFADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2o1 ZINC001198730390 1004713894 /nfs/dbraw/zinc/71/38/94/1004713894.db2.gz LYRUTXRAXQURFJ-UHFFFAOYSA-N -1 2 352.755 2.980 20 0 FFADLM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cc(O)c(Cl)cc1F ZINC001195637509 1005005122 /nfs/dbraw/zinc/00/51/22/1005005122.db2.gz GKLNKQFWVWBHSJ-UHFFFAOYSA-N -1 2 374.777 2.557 20 0 FFADLM Cc1cc(NC(=O)c2ncc(C(F)(F)F)[nH]2)ccc1N1CCOCC1 ZINC001188286821 1006505346 /nfs/dbraw/zinc/50/53/46/1006505346.db2.gz ACVGDFQYLJHETQ-UHFFFAOYSA-N -1 2 354.332 2.826 20 0 FFADLM CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1Cc1cccc(O)c1F ZINC001233051213 1036296412 /nfs/dbraw/zinc/29/64/12/1036296412.db2.gz KTQXNOKCHYZJEP-INIZCTEOSA-N -1 2 360.433 2.544 20 0 FFADLM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234339022 1036989031 /nfs/dbraw/zinc/98/90/31/1036989031.db2.gz NIZVEGOJWLBDHA-CYBMUJFWSA-N -1 2 359.315 2.546 20 0 FFADLM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234339022 1036989047 /nfs/dbraw/zinc/98/90/47/1036989047.db2.gz NIZVEGOJWLBDHA-CYBMUJFWSA-N -1 2 359.315 2.546 20 0 FFADLM O=C(c1ccc(Cl)[nH]c1=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001277493232 1037493640 /nfs/dbraw/zinc/49/36/40/1037493640.db2.gz ZGEMHEAMMYDGGZ-UHFFFAOYSA-N -1 2 363.767 2.683 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(O)c2)c(F)cc1Cl ZINC001259219381 1039811392 /nfs/dbraw/zinc/81/13/92/1039811392.db2.gz YYSAWOIIXCXOAL-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c(F)cc1Cl ZINC001259224908 1039816255 /nfs/dbraw/zinc/81/62/55/1039816255.db2.gz UVVHVJJRXJAQCM-UHFFFAOYSA-N -1 2 361.700 2.551 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnccc2C(F)(F)F)c1 ZINC001260208939 1040464916 /nfs/dbraw/zinc/46/49/16/1040464916.db2.gz CMOXRKIDNZXVTL-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)C3CC3)cc2)c1 ZINC001260216375 1040469118 /nfs/dbraw/zinc/46/91/18/1040469118.db2.gz FZYUGGZVMRHLSU-UHFFFAOYSA-N -1 2 363.366 2.917 20 0 FFADLM O=S(=O)(Nc1ncc(F)cc1O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869562 1040860512 /nfs/dbraw/zinc/86/05/12/1040860512.db2.gz XWGPMZOIAXPZFN-UHFFFAOYSA-N -1 2 353.158 2.740 20 0 FFADLM FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001460698394 1061066636 /nfs/dbraw/zinc/06/66/36/1061066636.db2.gz VMXLBHCVTUTRJU-VIFPVBQESA-N -1 2 374.189 2.553 20 0 FFADLM C[C@@](CNC(=O)c1cc(F)cc(Cl)c1O)(C(=O)[O-])c1ccccc1 ZINC001589063703 1080335462 /nfs/dbraw/zinc/33/54/62/1080335462.db2.gz AJYRGDDMSCYOEQ-KRWDZBQOSA-N -1 2 351.761 2.957 20 0 FFADLM C[C@@H](C(=O)[O-])c1cccc(NS(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC001589539490 1080592556 /nfs/dbraw/zinc/59/25/56/1080592556.db2.gz HFSGCCLOCRBZEC-GFCCVEGCSA-N -1 2 363.439 2.672 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000042791638 506666453 /nfs/dbraw/zinc/66/64/53/506666453.db2.gz QGMZFPBECVITCB-UHFFFAOYSA-N -1 2 365.407 2.981 20 0 FFADLM COC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000042794049 506668347 /nfs/dbraw/zinc/66/83/47/506668347.db2.gz YBSDEYZVJSPJQY-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000058495241 507428209 /nfs/dbraw/zinc/42/82/09/507428209.db2.gz BPWZQYMNHFRPJI-UHFFFAOYSA-N -1 2 374.827 2.859 20 0 FFADLM C[C@H]([NH2+]Cc1cc(O)ccc1Br)C(=O)NCc1ccco1 ZINC000127217549 508416588 /nfs/dbraw/zinc/41/65/88/508416588.db2.gz MNCJTGXSTXHCHS-JTQLQIEISA-N -1 2 353.216 2.542 20 0 FFADLM Cc1cc(NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc[nH+]1 ZINC000119434277 508795556 /nfs/dbraw/zinc/79/55/56/508795556.db2.gz TWSBZYMDWKIVEG-UHFFFAOYSA-N -1 2 354.410 2.978 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)=N2)cc1 ZINC000263378689 510684779 /nfs/dbraw/zinc/68/47/79/510684779.db2.gz WXPOVQRMCCFXCI-ZFWWWQNUSA-N -1 2 371.437 2.884 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)s1 ZINC000266689549 510729580 /nfs/dbraw/zinc/72/95/80/510729580.db2.gz AIDBDPPIDNBUOQ-UHFFFAOYSA-N -1 2 371.436 2.827 20 0 FFADLM CC[N@@H+](CCOCCO)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000282185879 510877877 /nfs/dbraw/zinc/87/78/77/510877877.db2.gz WDUHFRDLBZYTJX-UHFFFAOYSA-N -1 2 373.478 2.895 20 0 FFADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000323191490 511829265 /nfs/dbraw/zinc/82/92/65/511829265.db2.gz MQGLWWJWIRTEOM-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)[O-])c1 ZINC000325874120 511852242 /nfs/dbraw/zinc/85/22/42/511852242.db2.gz MFCCVKLIJLFIQU-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000447455979 513482162 /nfs/dbraw/zinc/48/21/62/513482162.db2.gz ZUZNIZQYOHZUDV-CQSZACIVSA-N -1 2 374.872 2.978 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000442838352 513792880 /nfs/dbraw/zinc/79/28/80/513792880.db2.gz PSVIXDGFIZEGKM-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436474979 513866037 /nfs/dbraw/zinc/86/60/37/513866037.db2.gz AVVFSIZGUHAMBY-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433512957 514507409 /nfs/dbraw/zinc/50/74/09/514507409.db2.gz XWESGWLNJPFFOX-UHFFFAOYSA-N -1 2 371.798 2.943 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccnc2OCC(F)F)ccc1C(=O)[O-] ZINC000507880491 514594834 /nfs/dbraw/zinc/59/48/34/514594834.db2.gz XKLSSDIVLDYHJX-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475745400 514791047 /nfs/dbraw/zinc/79/10/47/514791047.db2.gz VREWNRWRLTZKDG-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000498485852 514924467 /nfs/dbraw/zinc/92/44/67/514924467.db2.gz WGONDHVWTRDYOG-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccccc2Cl)c1OC ZINC000467324072 514978433 /nfs/dbraw/zinc/97/84/33/514978433.db2.gz VUGVIYNJBCEHME-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM CO[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000509068688 515008564 /nfs/dbraw/zinc/00/85/64/515008564.db2.gz RKPNJDWBOPCIGM-GFCCVEGCSA-N -1 2 365.407 2.954 20 0 FFADLM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467760646 515107610 /nfs/dbraw/zinc/10/76/10/515107610.db2.gz 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355.375 2.643 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001263370521 1042267879 /nfs/dbraw/zinc/26/78/79/1042267879.db2.gz BDXIZKCAQVPEGR-SDDRHHMPSA-N -1 2 367.885 2.624 20 0 FFADLM CCC[C@@H]1CCCN1c1nnc(-c2n[nH]c(Cl)n2)n1CCCOCC ZINC001342575075 1051179813 /nfs/dbraw/zinc/17/98/13/1051179813.db2.gz PIDDFIYGIHXJDZ-GFCCVEGCSA-N -1 2 367.885 2.912 20 0 FFADLM CC(C)c1nnc(C[NH+]2CCC(c3ccc(-c4nn[nH]n4)cn3)CC2)s1 ZINC001589778081 1080731887 /nfs/dbraw/zinc/73/18/87/1080731887.db2.gz YFYPECKHIKZOPR-UHFFFAOYSA-N -1 2 370.486 2.616 20 0 FFADLM COCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000298854258 257944483 /nfs/dbraw/zinc/94/44/83/257944483.db2.gz MMHJBVPHSFDWAO-UHFFFAOYSA-N -1 2 371.436 2.581 20 0 FFADLM Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc(C)c(F)cc1F)CCC2 ZINC000371293062 512311174 /nfs/dbraw/zinc/31/11/74/512311174.db2.gz FGYKHUBHRNGFOV-LBPRGKRZSA-N -1 2 355.410 2.634 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000137234452 508746263 /nfs/dbraw/zinc/74/62/63/508746263.db2.gz ZPPOYVJQXWOWFS-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120315061 508971193 /nfs/dbraw/zinc/97/11/93/508971193.db2.gz XLBPZPBJRAIHPE-UHFFFAOYSA-N -1 2 364.301 2.809 20 0 FFADLM COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(O)cc(F)c3)CC2)c1 ZINC000186160596 509551977 /nfs/dbraw/zinc/55/19/77/509551977.db2.gz KVWCJENKZQNTAQ-UHFFFAOYSA-N -1 2 360.429 2.866 20 0 FFADLM O=c1nc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)[nH]c2scc(-c3ccco3)c21 ZINC000172039895 510511965 /nfs/dbraw/zinc/51/19/65/510511965.db2.gz URNANGFPUNXQGM-GTKHYJCHSA-N -1 2 371.462 2.837 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1C ZINC000280983337 511677622 /nfs/dbraw/zinc/67/76/22/511677622.db2.gz MGBOMDSZAUSVIG-UHFFFAOYSA-N -1 2 371.846 2.981 20 0 FFADLM COc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC000323298822 511830105 /nfs/dbraw/zinc/83/01/05/511830105.db2.gz NQRCCJHLATZDLC-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000327625240 511878491 /nfs/dbraw/zinc/87/84/91/511878491.db2.gz PFBQBTWGOOCVLY-UHFFFAOYSA-N -1 2 369.395 2.884 20 0 FFADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000439620823 513152337 /nfs/dbraw/zinc/15/23/37/513152337.db2.gz AOOJSETWKZBYIM-UHFFFAOYSA-N -1 2 369.345 2.813 20 0 FFADLM CN(CCCC(=O)[O-])C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000417804367 513213999 /nfs/dbraw/zinc/21/39/99/513213999.db2.gz YNOUGMPWCXAUEC-UHFFFAOYSA-N -1 2 354.819 2.609 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC(C)C ZINC000447264444 513429261 /nfs/dbraw/zinc/42/92/61/513429261.db2.gz BJJGIJHXXNBNAJ-UHFFFAOYSA-N -1 2 365.407 2.987 20 0 FFADLM C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000448357628 513741016 /nfs/dbraw/zinc/74/10/16/513741016.db2.gz ZIMSCBXZPGEVTH-HOTGVXAUSA-N -1 2 353.470 3.386 20 0 FFADLM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000438783208 514442515 /nfs/dbraw/zinc/44/25/15/514442515.db2.gz CKHWIZGOIZDDQE-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000466346455 514616711 /nfs/dbraw/zinc/61/67/11/514616711.db2.gz KSBBIHQETVMDSD-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccnc2OC(C)C)cc(C(=O)[O-])c1C ZINC000471122821 514761259 /nfs/dbraw/zinc/76/12/59/514761259.db2.gz CYHJJZWABVTRKZ-UHFFFAOYSA-N -1 2 364.423 2.985 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475831077 514827402 /nfs/dbraw/zinc/82/74/02/514827402.db2.gz KQOFTIDHSDVIPJ-UHFFFAOYSA-N -1 2 367.402 2.622 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1sccc1C ZINC000484971849 514858842 /nfs/dbraw/zinc/85/88/42/514858842.db2.gz PQKNTLJIBRWSFI-UHFFFAOYSA-N -1 2 355.437 2.883 20 0 FFADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000485410085 515029800 /nfs/dbraw/zinc/02/98/00/515029800.db2.gz UHAZLYIBIUEUOJ-UHFFFAOYSA-N -1 2 371.846 2.870 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000511119632 515790810 /nfs/dbraw/zinc/79/08/10/515790810.db2.gz AWXJNGUSXFZJCW-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])c1C ZINC000478673814 515917132 /nfs/dbraw/zinc/91/71/32/515917132.db2.gz JJXSWUYTDLFPAP-UHFFFAOYSA-N -1 2 351.428 2.636 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000543660598 516351384 /nfs/dbraw/zinc/35/13/84/516351384.db2.gz ZQVSCTSLAQEWAT-GFCCVEGCSA-N -1 2 351.428 2.528 20 0 FFADLM COCc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512766197 516352326 /nfs/dbraw/zinc/35/23/26/516352326.db2.gz GYLPHQMXRXADKF-UHFFFAOYSA-N -1 2 353.371 2.780 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000547609729 516434308 /nfs/dbraw/zinc/43/43/08/516434308.db2.gz ZTVWUTCIVLYVIV-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C ZINC000537197082 517083102 /nfs/dbraw/zinc/08/31/02/517083102.db2.gz JQWTURWFGHPTIV-NSHDSACASA-N -1 2 351.428 2.970 20 0 FFADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000556349196 517383158 /nfs/dbraw/zinc/38/31/58/517383158.db2.gz MWOUKDFLQYFLFN-UHFFFAOYSA-N -1 2 373.381 2.771 20 0 FFADLM CCCc1ccc(Cl)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000560006959 517530543 /nfs/dbraw/zinc/53/05/43/517530543.db2.gz AVWJAPZEAGBXQZ-UHFFFAOYSA-N -1 2 357.819 2.525 20 0 FFADLM CCOc1nc2cc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)ccc2[nH]1 ZINC000553294384 517627138 /nfs/dbraw/zinc/62/71/38/517627138.db2.gz OGVHDZSPDNAWHN-UHFFFAOYSA-N -1 2 362.393 2.854 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000567662704 518638823 /nfs/dbraw/zinc/63/88/23/518638823.db2.gz WZGJTSUCULVZHX-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM O=C(Nc1nc(-c2ccccc2F)n[nH]1)C1CN(C(=O)C2CCCCC2)C1 ZINC000573423787 518655678 /nfs/dbraw/zinc/65/56/78/518655678.db2.gz FIUPSBMMFZPHKX-UHFFFAOYSA-N -1 2 371.416 2.588 20 0 FFADLM CN(CCCC(=O)[O-])C(=O)c1cc(Cl)cc(Br)c1O ZINC000579591851 518755657 /nfs/dbraw/zinc/75/56/57/518755657.db2.gz QSFYAABRTTXYRP-UHFFFAOYSA-N -1 2 350.596 2.745 20 0 FFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000588833882 518841461 /nfs/dbraw/zinc/84/14/61/518841461.db2.gz VVDCZURAIKVMOD-UHFFFAOYSA-N -1 2 374.418 2.615 20 0 FFADLM COC[C@]1(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CCOC1 ZINC000571256227 519001832 /nfs/dbraw/zinc/00/18/32/519001832.db2.gz XFLVOUPBTWXSLX-OAHLLOKOSA-N -1 2 371.224 2.770 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)s[nH]1 ZINC000580311485 519112325 /nfs/dbraw/zinc/11/23/25/519112325.db2.gz OKQRNVDMOHSVNW-WCBMZHEXSA-N -1 2 366.468 2.571 20 0 FFADLM CCCN(CC(=O)[O-])C(=O)c1cc(Cl)cc(Br)c1O ZINC000565774474 519126986 /nfs/dbraw/zinc/12/69/86/519126986.db2.gz AWWGBCMCQXPGTJ-UHFFFAOYSA-N -1 2 350.596 2.745 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1C(=O)[O-] ZINC000577731437 519228492 /nfs/dbraw/zinc/22/84/92/519228492.db2.gz XHEQUSIMEWDWSN-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000737717153 599814369 /nfs/dbraw/zinc/81/43/69/599814369.db2.gz IIVUYDNJUYNLNQ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)[O-] ZINC000738238798 599938827 /nfs/dbraw/zinc/93/88/27/599938827.db2.gz DBHMHJDCGMHZAJ-VIFPVBQESA-N -1 2 353.421 2.879 20 0 FFADLM Cc1cnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000738803586 600126918 /nfs/dbraw/zinc/12/69/18/600126918.db2.gz ZSEWLWRRPOWVRS-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1C(=O)[O-] ZINC000832956710 600830349 /nfs/dbraw/zinc/83/03/49/600830349.db2.gz WGPIWCQPKVQYJD-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM C[C@@](NC(=O)C(F)(F)C(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC000827622059 601284154 /nfs/dbraw/zinc/28/41/54/601284154.db2.gz GXLVLDPHOCWCMS-NSHDSACASA-N -1 2 372.112 2.766 20 0 FFADLM C[C@](NC(=O)C(F)(F)C(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC000827622056 601284172 /nfs/dbraw/zinc/28/41/72/601284172.db2.gz GXLVLDPHOCWCMS-LLVKDONJSA-N -1 2 372.112 2.766 20 0 FFADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000833344552 601484226 /nfs/dbraw/zinc/48/42/26/601484226.db2.gz CNCIUWYHFZKRAX-UHFFFAOYSA-N -1 2 363.178 2.593 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000323771061 601501828 /nfs/dbraw/zinc/50/18/28/601501828.db2.gz XWWVUSVIOUREGV-UHFFFAOYSA-N -1 2 355.441 2.544 20 0 FFADLM Cc1nc(-c2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2)co1 ZINC000832990865 601833909 /nfs/dbraw/zinc/83/39/09/601833909.db2.gz FVUBNYWLHDWSQT-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])ccc1OC(C)C ZINC000832904524 602155942 /nfs/dbraw/zinc/15/59/42/602155942.db2.gz PTWKVSOQGZUIEG-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM CN(Cc1cccc(NS(=O)(=O)c2cccnc2Cl)c1)C(=O)[O-] ZINC000739711135 602930101 /nfs/dbraw/zinc/93/01/01/602930101.db2.gz DXXKUIFEAPCQHY-UHFFFAOYSA-N -1 2 355.803 2.646 20 0 FFADLM CCCc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000829566379 604624244 /nfs/dbraw/zinc/62/42/44/604624244.db2.gz KGEQXXRLURADAS-UHFFFAOYSA-N -1 2 354.453 2.914 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1F ZINC000832887429 604625084 /nfs/dbraw/zinc/62/50/84/604625084.db2.gz ZGWDHJPJEKVMAI-UHFFFAOYSA-N -1 2 362.379 2.548 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000833244146 604626451 /nfs/dbraw/zinc/62/64/51/604626451.db2.gz TXGUSTPROXCDOB-UHFFFAOYSA-N -1 2 369.449 2.571 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000759090141 736546164 /nfs/dbraw/zinc/54/61/64/736546164.db2.gz MSGCMEYMGHWAEI-UHFFFAOYSA-N -1 2 370.814 2.941 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000323910531 729755808 /nfs/dbraw/zinc/75/58/08/729755808.db2.gz FPQDEYURPVHXDV-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM O=C(NCC1CCN(Cc2cccnc2C(F)(F)F)CC1)C(F)(F)F ZINC000859289306 730448609 /nfs/dbraw/zinc/44/86/09/730448609.db2.gz DATKEJZTTPVLQF-UHFFFAOYSA-N -1 2 369.309 2.991 20 0 FFADLM O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000647699074 730758462 /nfs/dbraw/zinc/75/84/62/730758462.db2.gz TYEMMCFZPSXFDQ-KOLCDFICSA-N -1 2 366.830 2.655 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccnc2OCC(F)F)ccc1C(=O)[O-] ZINC000647923214 730773970 /nfs/dbraw/zinc/77/39/70/730773970.db2.gz KWCJTBGIRLMSQF-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM CCc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000864448496 730847306 /nfs/dbraw/zinc/84/73/06/730847306.db2.gz PVVKMMLHQCRYHE-JOYOIKCWSA-N -1 2 353.362 2.635 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(OC)c1 ZINC000753769085 736092732 /nfs/dbraw/zinc/09/27/32/736092732.db2.gz IFZADRBZTNRELF-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000758169554 736458255 /nfs/dbraw/zinc/45/82/55/736458255.db2.gz IFCYMNAMWNTZER-UHFFFAOYSA-N -1 2 363.317 2.602 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000832917839 745766450 /nfs/dbraw/zinc/76/64/50/745766450.db2.gz BHJNWNRNHNJCDP-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000392770767 845855222 /nfs/dbraw/zinc/85/52/22/845855222.db2.gz LGGLDGUFAPFUIU-UHFFFAOYSA-N -1 2 368.342 2.850 20 0 FFADLM CCc1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)sc1C ZINC000322910663 970944153 /nfs/dbraw/zinc/94/41/53/970944153.db2.gz SIMTZSINTDVHIV-UHFFFAOYSA-N -1 2 356.425 2.522 20 0 FFADLM O=C([O-])C1(NC(=O)c2cc(Br)c(F)cc2O)CCCCC1 ZINC001594721320 956969178 /nfs/dbraw/zinc/96/91/78/956969178.db2.gz FYIODFDMJUJQGS-UHFFFAOYSA-N -1 2 360.179 2.811 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)s1 ZINC000391921803 972390959 /nfs/dbraw/zinc/39/09/59/972390959.db2.gz UHTKVAXBZGVGIR-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594480257 959623486 /nfs/dbraw/zinc/62/34/86/959623486.db2.gz 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CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nc1 ZINC001599820400 988502811 /nfs/dbraw/zinc/50/28/11/988502811.db2.gz XKKLWFBOKUCIEE-UHFFFAOYSA-N -1 2 356.400 2.750 20 0 FFADLM CCc1nc(NS(=O)(=O)CCc2ccccc2F)sc1C(=O)[O-] ZINC001597685665 988839633 /nfs/dbraw/zinc/83/96/33/988839633.db2.gz VHXBVDFXSFDOIW-UHFFFAOYSA-N -1 2 358.416 2.527 20 0 FFADLM CC(C)CCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC001591270352 992189133 /nfs/dbraw/zinc/18/91/33/992189133.db2.gz OVDSXZPHVWLVCI-UHFFFAOYSA-N -1 2 373.818 2.811 20 0 FFADLM CC(C)CCc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001591270646 992192374 /nfs/dbraw/zinc/19/23/74/992192374.db2.gz ZKXPPSWPIWUFAS-UHFFFAOYSA-N -1 2 373.818 2.811 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001599584953 993600804 /nfs/dbraw/zinc/60/08/04/993600804.db2.gz ZDVNOTYEVXCSIR-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1OC ZINC001599618003 994043390 /nfs/dbraw/zinc/04/33/90/994043390.db2.gz RZPPAHBVBAPNAI-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001599504467 997187217 /nfs/dbraw/zinc/18/72/17/997187217.db2.gz PGKFDFXXHBBSPR-UHFFFAOYSA-N -1 2 364.423 2.887 20 0 FFADLM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001598971240 998518539 /nfs/dbraw/zinc/51/85/39/998518539.db2.gz YOVCZPIBWQTEDE-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1nc2sccc2c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186142719 1003196162 /nfs/dbraw/zinc/19/61/62/1003196162.db2.gz BAXJSQCMHRKPBZ-UHFFFAOYSA-N -1 2 367.383 2.638 20 0 FFADLM Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](c4nn[nH]n4)C3)cs2)cc1 ZINC001197297860 1004153864 /nfs/dbraw/zinc/15/38/64/1004153864.db2.gz SBAUZDZYBGJGEN-CYBMUJFWSA-N -1 2 356.455 2.533 20 0 FFADLM Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](c4nn[nH]n4)C3)cs2)cc1 ZINC001197297860 1004153868 /nfs/dbraw/zinc/15/38/68/1004153868.db2.gz SBAUZDZYBGJGEN-CYBMUJFWSA-N -1 2 356.455 2.533 20 0 FFADLM Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC001193965008 1004619702 /nfs/dbraw/zinc/61/97/02/1004619702.db2.gz KJZCTPYPHFPQGE-UHFFFAOYSA-N -1 2 350.780 2.743 20 0 FFADLM Cc1cnn(-c2ccccc2C)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747202 1004722305 /nfs/dbraw/zinc/72/23/05/1004722305.db2.gz UIISDWNFTVEIIA-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1c(O)cccc1C(F)(F)F ZINC001198782127 1004726234 /nfs/dbraw/zinc/72/62/34/1004726234.db2.gz CVYJWUQTIFOOPD-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187553315 1006141882 /nfs/dbraw/zinc/14/18/82/1006141882.db2.gz PCASEKWWTNMONW-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM CCOC(=O)c1occc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187553440 1006142089 /nfs/dbraw/zinc/14/20/89/1006142089.db2.gz QRCWWKGOTRLGFU-UHFFFAOYSA-N -1 2 373.770 2.609 20 0 FFADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1O ZINC001187582679 1006163412 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372.232 2.667 20 0 FFADLM CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)c3cc(O)cc(Cl)c3)C2)C1 ZINC001278934628 1038494742 /nfs/dbraw/zinc/49/47/42/1038494742.db2.gz IMVORRUIMMLXCN-UHFFFAOYSA-N -1 2 374.872 2.610 20 0 FFADLM COc1ccc(F)cc1-c1cc(=O)n(-c2ccccc2S(=O)(=O)[O-])[nH]1 ZINC001245952281 1039157743 /nfs/dbraw/zinc/15/77/43/1039157743.db2.gz WHWCGILBARBINJ-UHFFFAOYSA-N -1 2 364.354 2.639 20 0 FFADLM O=c1ccn(-c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)[n-]1 ZINC001258948239 1039609938 /nfs/dbraw/zinc/60/99/38/1039609938.db2.gz DTBNYURXDCWGRH-UHFFFAOYSA-N -1 2 351.334 2.657 20 0 FFADLM COc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C ZINC001259212989 1039804633 /nfs/dbraw/zinc/80/46/33/1039804633.db2.gz FHVVHNPDJBUCPP-UHFFFAOYSA-N -1 2 374.777 2.690 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1O ZINC001259219595 1039810893 /nfs/dbraw/zinc/81/08/93/1039810893.db2.gz BJSTVFMXECPWAK-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc3ncoc32)ccc1O ZINC001260400659 1040580510 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CC(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000066585378 506563252 /nfs/dbraw/zinc/56/32/52/506563252.db2.gz RQCWNICEPHSDRV-UHFFFAOYSA-N -1 2 363.439 2.842 20 0 FFADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000042792611 506669128 /nfs/dbraw/zinc/66/91/28/506669128.db2.gz XCWWBCULWACSTP-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O ZINC000193332893 509869957 /nfs/dbraw/zinc/86/99/57/509869957.db2.gz KCEXEYVUJDUMGI-LURJTMIESA-N -1 2 358.641 2.585 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000281952810 512024277 /nfs/dbraw/zinc/02/42/77/512024277.db2.gz SHJOFAVTEGNHQF-UHFFFAOYSA-N -1 2 355.437 2.965 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1-c1ncco1 ZINC000371979333 512664073 /nfs/dbraw/zinc/66/40/73/512664073.db2.gz LJVWTEYFGZCWGF-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1C(=O)[O-] ZINC000421175332 513136318 /nfs/dbraw/zinc/13/63/18/513136318.db2.gz CKTNYPYWXHPDNP-UHFFFAOYSA-N -1 2 351.428 2.834 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447116046 513402186 /nfs/dbraw/zinc/40/21/86/513402186.db2.gz JLYUIKKBPHYWJM-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436726543 513958640 /nfs/dbraw/zinc/95/86/40/513958640.db2.gz VSUZQYGXQLJAKU-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436934657 514040026 /nfs/dbraw/zinc/04/00/26/514040026.db2.gz YFJZZUJPICAXHP-SNVBAGLBSA-N -1 2 365.411 2.503 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000414379447 514077775 /nfs/dbraw/zinc/07/77/75/514077775.db2.gz GHXZYMIWZMVIFX-LBPRGKRZSA-N -1 2 364.423 2.859 20 0 FFADLM COc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000438787173 514442302 /nfs/dbraw/zinc/44/23/02/514442302.db2.gz ARJUORWYRDPRLO-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CC(C)(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1O ZINC000479540498 514623634 /nfs/dbraw/zinc/62/36/34/514623634.db2.gz FZVURFZIWBSDNL-UHFFFAOYSA-N -1 2 365.407 2.894 20 0 FFADLM CCn1cnc(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)[O-])c(C)c2)c1 ZINC000484782426 514793363 /nfs/dbraw/zinc/79/33/63/514793363.db2.gz XUVGAPRSTZBEDO-UHFFFAOYSA-N -1 2 374.422 2.501 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489577258 514901628 /nfs/dbraw/zinc/90/16/28/514901628.db2.gz LJZKHALUCXWASP-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CCn1nccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000471926334 515057858 /nfs/dbraw/zinc/05/78/58/515057858.db2.gz BYKGBBOWMLQXSE-UHFFFAOYSA-N -1 2 351.428 2.700 20 0 FFADLM CCc1oncc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000509373061 515145383 /nfs/dbraw/zinc/14/53/83/515145383.db2.gz CECAZHOOETVWDT-UHFFFAOYSA-N -1 2 368.411 2.590 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc2[nH]ncc21 ZINC000499268704 515263691 /nfs/dbraw/zinc/26/36/91/515263691.db2.gz ARRZHPDDQFPWII-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000510095269 515432770 /nfs/dbraw/zinc/43/27/70/515432770.db2.gz JOEMXDJONLHPNM-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM C[C@H]1C[N@H+](Cc2cccc(O)c2Br)C[C@@]2(CCCOC2)O1 ZINC000459514498 515609573 /nfs/dbraw/zinc/60/95/73/515609573.db2.gz PZOIQAIRPATTAR-BLLLJJGKSA-N -1 2 356.260 2.925 20 0 FFADLM Oc1cccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1Br ZINC000459569924 515657066 /nfs/dbraw/zinc/65/70/66/515657066.db2.gz LKMIAHWGWUXXFO-CABZTGNLSA-N -1 2 354.166 2.900 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000506995273 516048316 /nfs/dbraw/zinc/04/83/16/516048316.db2.gz RKRZHWIJHPCFSR-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000479244633 516123963 /nfs/dbraw/zinc/12/39/63/516123963.db2.gz BRPCPIKQYKAXGB-UHFFFAOYSA-N -1 2 371.846 3.000 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OCCF)c2)c(F)c1 ZINC000470456596 516256278 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CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000542093289 517375774 /nfs/dbraw/zinc/37/57/74/517375774.db2.gz JBEYEEFJXKLVDT-UHFFFAOYSA-N -1 2 357.771 2.943 20 0 FFADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000520627818 517462079 /nfs/dbraw/zinc/46/20/79/517462079.db2.gz YGIWFZYDXSIJGU-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1C ZINC000543165459 517941662 /nfs/dbraw/zinc/94/16/62/517941662.db2.gz FFCCOOWJGNVYEE-LLVKDONJSA-N -1 2 365.455 2.899 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000567870460 518759282 /nfs/dbraw/zinc/75/92/82/518759282.db2.gz BWFUVDADKVXTKH-JTQLQIEISA-N -1 2 367.402 2.801 20 0 FFADLM CC(C)Cc1nsc(NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)n1 ZINC000582549389 518808091 /nfs/dbraw/zinc/80/80/91/518808091.db2.gz YLBFWYLTHURVCZ-UHFFFAOYSA-N -1 2 357.439 2.655 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000573944210 518912766 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Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1C ZINC000320378527 600050915 /nfs/dbraw/zinc/05/09/15/600050915.db2.gz VDFBGMUBBBOKOV-UHFFFAOYSA-N -1 2 354.453 2.805 20 0 FFADLM COC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000737641870 600100259 /nfs/dbraw/zinc/10/02/59/600100259.db2.gz HXLFVHROUHHHCJ-UHFFFAOYSA-N -1 2 374.371 2.565 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000739886352 600629624 /nfs/dbraw/zinc/62/96/24/600629624.db2.gz CFNCFLMSFAWAIE-UHFFFAOYSA-N -1 2 363.439 2.816 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000737312625 601051138 /nfs/dbraw/zinc/05/11/38/601051138.db2.gz UUQTZLDVYIMVIM-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C ZINC000737312981 601051422 /nfs/dbraw/zinc/05/14/22/601051422.db2.gz YZNKODDLQUGRCA-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000325257546 601771065 /nfs/dbraw/zinc/77/10/65/601771065.db2.gz 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605151530 /nfs/dbraw/zinc/15/15/30/605151530.db2.gz BXEFRJSMIBNOKZ-UHFFFAOYSA-N -1 2 374.422 2.685 20 0 FFADLM CC(C)(C)c1nc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000833451055 605584394 /nfs/dbraw/zinc/58/43/94/605584394.db2.gz OHOSFGAXRKGBKI-UHFFFAOYSA-N -1 2 359.791 2.520 20 0 FFADLM Cc1cc([C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])ccc1Cl ZINC000275259316 729699867 /nfs/dbraw/zinc/69/98/67/729699867.db2.gz LYDFNHYNSDTDII-OIBJUYFYSA-N -1 2 359.753 2.644 20 0 FFADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000321388529 729752565 /nfs/dbraw/zinc/75/25/65/729752565.db2.gz OGPDFMAKSVEUFB-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OC ZINC000775297809 738081321 /nfs/dbraw/zinc/08/13/21/738081321.db2.gz XDAPTZJEBIJXPA-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM CCCc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c(C(=O)[O-])c1 ZINC000777609418 738305266 /nfs/dbraw/zinc/30/52/66/738305266.db2.gz ZFXDFFWWRZCESQ-UHFFFAOYSA-N -1 2 363.439 2.745 20 0 FFADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000816733399 742056953 /nfs/dbraw/zinc/05/69/53/742056953.db2.gz VCPVNRONNGPERO-UHFFFAOYSA-N -1 2 372.193 2.504 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)sc1C(=O)[O-] ZINC000057119855 845364431 /nfs/dbraw/zinc/36/44/31/845364431.db2.gz WYCXYVGDFMWMQS-UHFFFAOYSA-N -1 2 365.388 2.662 20 0 FFADLM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NCc2cccc3c2OCC3)n1 ZINC000895132472 967804117 /nfs/dbraw/zinc/80/41/17/967804117.db2.gz SSCDVTXLYZVIEC-HNNXBMFYSA-N -1 2 358.442 2.793 20 0 FFADLM CC(C)c1sc(NS(=O)(=O)c2cccnc2Cl)nc1C(=O)[O-] ZINC001592117204 976920718 /nfs/dbraw/zinc/92/07/18/976920718.db2.gz NWMSKVPSJUWKHN-UHFFFAOYSA-N -1 2 361.832 2.814 20 0 FFADLM COc1ccccc1-n1c[nH+]c2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168593492 985705505 /nfs/dbraw/zinc/70/55/05/985705505.db2.gz OZIDQSLHABEEJI-UHFFFAOYSA-N -1 2 363.310 2.555 20 0 FFADLM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1O ZINC001599877355 989437320 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O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2O)ccc1Cl ZINC001188323912 1006512433 /nfs/dbraw/zinc/51/24/33/1006512433.db2.gz VRHDFVIJOAFSRJ-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM COc1ccc(C[NH+]2CCOCC2)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001206502302 1032316466 /nfs/dbraw/zinc/31/64/66/1032316466.db2.gz FZCBSYAYYAZUMY-UHFFFAOYSA-N -1 2 371.389 2.591 20 0 FFADLM Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000932043235 1020685850 /nfs/dbraw/zinc/68/58/50/1020685850.db2.gz LWCVALYUNPRQOC-UHFFFAOYSA-N -1 2 354.414 2.685 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCc2ccsc2C1 ZINC001122839551 1023507088 /nfs/dbraw/zinc/50/70/88/1023507088.db2.gz UFKNSLUYRHAFCR-UHFFFAOYSA-N -1 2 363.878 2.997 20 0 FFADLM O=c1cc(Br)c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)n[nH]1 ZINC001226848593 1034861206 /nfs/dbraw/zinc/86/12/06/1034861206.db2.gz GGFCMXRRNPDZLW-LBPRGKRZSA-N -1 2 361.199 2.642 20 0 FFADLM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(Cl)c(O)c2)N1CCn1ccnc1 ZINC001277160092 1034862083 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2.714 20 0 FFADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001337020207 1054414518 /nfs/dbraw/zinc/41/45/18/1054414518.db2.gz URBAVKVUUVWHPS-UHFFFAOYSA-N -1 2 361.206 2.816 20 0 FFADLM CC(=O)c1cccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC001589318293 1080480147 /nfs/dbraw/zinc/48/01/47/1080480147.db2.gz UKQHMTFTMLLEMT-UHFFFAOYSA-N -1 2 368.436 2.968 20 0 FFADLM CC(C)(C)n1cc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC001589643158 1080647437 /nfs/dbraw/zinc/64/74/37/1080647437.db2.gz ILMBZLJPQDDSGE-UHFFFAOYSA-N -1 2 365.455 2.801 20 0 FFADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C2CC2)n1 ZINC000291179440 257389791 /nfs/dbraw/zinc/38/97/91/257389791.db2.gz SKHVBBCEPJYCPH-UHFFFAOYSA-N -1 2 373.793 2.589 20 0 FFADLM Cc1cc(C)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1 ZINC000060360584 507530768 /nfs/dbraw/zinc/53/07/68/507530768.db2.gz GARGUFWVRGUZJL-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000164577760 509516955 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CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)n(C(C)C)n1 ZINC000421175498 513136229 /nfs/dbraw/zinc/13/62/29/513136229.db2.gz PVICXGDLDJQYMZ-UHFFFAOYSA-N -1 2 351.428 2.834 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000433805978 513154937 /nfs/dbraw/zinc/15/49/37/513154937.db2.gz NVZYLSMGRZHMID-UHFFFAOYSA-N -1 2 352.412 2.527 20 0 FFADLM O=S(=O)(NCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1F ZINC000444067660 514113287 /nfs/dbraw/zinc/11/32/87/514113287.db2.gz AJBVQFRGTRIQGU-UHFFFAOYSA-N -1 2 363.336 2.630 20 0 FFADLM C[NH+](C)CCc1ccccc1NC(=O)c1[nH]cnc1C(=O)c1ccccc1 ZINC000438556270 514402730 /nfs/dbraw/zinc/40/27/30/514402730.db2.gz GTTVJKVPFIVQOZ-UHFFFAOYSA-N -1 2 362.433 2.997 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485060928 514894747 /nfs/dbraw/zinc/89/47/47/514894747.db2.gz JEPYLUBTUFMGKO-UHFFFAOYSA-N -1 2 364.210 2.709 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C)s2)c1OC ZINC000467323741 514978219 /nfs/dbraw/zinc/97/82/19/514978219.db2.gz 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ZINC000547569216 516412797 /nfs/dbraw/zinc/41/27/97/516412797.db2.gz RXYIZRGBODJKDY-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000547595153 516426709 /nfs/dbraw/zinc/42/67/09/516426709.db2.gz QSIXREFRCOGIJY-KFSXWPRRSA-N -1 2 369.405 2.526 20 0 FFADLM CN(C)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)[O-])c1 ZINC000547876746 516614980 /nfs/dbraw/zinc/61/49/80/516614980.db2.gz IYXIUTNYFGZQIX-UHFFFAOYSA-N -1 2 374.340 2.669 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1-c1ccccc1 ZINC000555135826 516798323 /nfs/dbraw/zinc/79/83/23/516798323.db2.gz XQMLYMISJUHRMT-UHFFFAOYSA-N -1 2 371.418 2.515 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000525173856 516943335 /nfs/dbraw/zinc/94/33/35/516943335.db2.gz CEOFDPNUGCEGSY-UHFFFAOYSA-N -1 2 367.427 2.588 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000541303728 516975019 /nfs/dbraw/zinc/97/50/19/516975019.db2.gz 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364.423 2.721 20 0 FFADLM O=c1[nH]c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)nc2c1COCC2 ZINC000878654636 732572701 /nfs/dbraw/zinc/57/27/01/732572701.db2.gz AZDDCQHRVXSHQF-AWEZNQCLSA-N -1 2 361.829 2.562 20 0 FFADLM COCC1(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)CC1 ZINC000882708642 733275472 /nfs/dbraw/zinc/27/54/72/733275472.db2.gz IXVQZKFBCYTQFS-UHFFFAOYSA-N -1 2 370.652 2.729 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000677185145 733923297 /nfs/dbraw/zinc/92/32/97/733923297.db2.gz JLAZGBHBFSLAKI-UHFFFAOYSA-N -1 2 371.846 2.697 20 0 FFADLM O=C([O-])C[C@@H]([NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000904053805 736212634 /nfs/dbraw/zinc/21/26/34/736212634.db2.gz WUFLMZQBRMKZKO-LLVKDONJSA-N -1 2 374.340 2.846 20 0 FFADLM CCCn1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767740016 737362740 /nfs/dbraw/zinc/36/27/40/737362740.db2.gz VAWBQNBYAJZQSZ-UHFFFAOYSA-N -1 2 361.782 2.585 20 0 FFADLM Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000836948821 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20 0 FFADLM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438772999 514439904 /nfs/dbraw/zinc/43/99/04/514439904.db2.gz REYOKHQGAZAYDC-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM CC(C)OCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433491906 514504374 /nfs/dbraw/zinc/50/43/74/514504374.db2.gz QXLQGERITHYHQX-UHFFFAOYSA-N -1 2 365.407 2.816 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1C(=O)[O-] ZINC000489393265 514828421 /nfs/dbraw/zinc/82/84/21/514828421.db2.gz YKNDIDMMZBXTRO-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000462104765 514885159 /nfs/dbraw/zinc/88/51/59/514885159.db2.gz SZWFGWIJWXOISM-UHFFFAOYSA-N -1 2 373.333 2.796 20 0 FFADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509073866 515010082 /nfs/dbraw/zinc/01/00/82/515010082.db2.gz FCUICSOYBWNWNQ-UHFFFAOYSA-N -1 2 355.755 2.568 20 0 FFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471992191 515077496 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357.819 2.761 20 0 FFADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C(=O)[O-])c1C ZINC000833758248 605303022 /nfs/dbraw/zinc/30/30/22/605303022.db2.gz TXICDVPCESFBLS-UHFFFAOYSA-N -1 2 369.420 2.635 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1noc(-c2ccccc2)n1 ZINC000833747908 605486668 /nfs/dbraw/zinc/48/66/68/605486668.db2.gz NVSXPXRZFXBVPG-UHFFFAOYSA-N -1 2 359.363 2.544 20 0 FFADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833751168 605785010 /nfs/dbraw/zinc/78/50/10/605785010.db2.gz PYSWTADBPKYTBG-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000042795787 727964119 /nfs/dbraw/zinc/96/41/19/727964119.db2.gz VALDDCAGLLGLAF-UHFFFAOYSA-N -1 2 370.408 2.734 20 0 FFADLM COCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000326113249 729789570 /nfs/dbraw/zinc/78/95/70/729789570.db2.gz BMAIYSFRSMIDPY-UHFFFAOYSA-N -1 2 353.371 2.514 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478849354 729908316 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Cc1nn(C)c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc12 ZINC000812271230 741602020 /nfs/dbraw/zinc/60/20/20/741602020.db2.gz DWOJRVWSISZGIH-UHFFFAOYSA-N -1 2 363.370 2.520 20 0 FFADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000820289440 742485501 /nfs/dbraw/zinc/48/55/01/742485501.db2.gz VHEQRACQZNHTOH-UHFFFAOYSA-N -1 2 372.193 2.504 20 0 FFADLM O=C([O-])c1ccc(CNC(=O)c2cc(Br)c(F)cc2O)cc1 ZINC001595227795 949331159 /nfs/dbraw/zinc/33/11/59/949331159.db2.gz AHTKPCXQOFWBNH-UHFFFAOYSA-N -1 2 368.158 2.922 20 0 FFADLM CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)c(O)c1 ZINC001270719699 965827487 /nfs/dbraw/zinc/82/74/87/965827487.db2.gz YYDHMJQNHXKAGH-IYBDPMFKSA-N -1 2 355.438 2.608 20 0 FFADLM O=C([O-])c1n[nH+]c2ccccc2c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000910343055 981908226 /nfs/dbraw/zinc/90/82/26/981908226.db2.gz DRRZWRWOLAVGBB-UHFFFAOYSA-N -1 2 363.421 2.800 20 0 FFADLM O=c1[nH]c(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)nc2c1COCC2 ZINC000878055954 1014839864 /nfs/dbraw/zinc/83/98/64/1014839864.db2.gz MPSBQVNCSBFXRG-UHFFFAOYSA-N -1 2 361.392 2.913 20 0 FFADLM CCCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001596074831 983390976 /nfs/dbraw/zinc/39/09/76/983390976.db2.gz QBLMNJWQWDIYTC-UHFFFAOYSA-N -1 2 362.379 2.873 20 0 FFADLM CCOCCOc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001596939488 986070008 /nfs/dbraw/zinc/07/00/08/986070008.db2.gz KOXHWHSUBWSHJR-UHFFFAOYSA-N -1 2 371.436 2.662 20 0 FFADLM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(CC)cs1 ZINC001597076036 986607699 /nfs/dbraw/zinc/60/76/99/986607699.db2.gz IWKJRRQFBWVVCS-UHFFFAOYSA-N -1 2 356.425 2.603 20 0 FFADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1C1CC1 ZINC001591533917 992713544 /nfs/dbraw/zinc/71/35/44/992713544.db2.gz RLRKSDYNGFPROO-UHFFFAOYSA-N -1 2 369.468 2.977 20 0 FFADLM COc1ccc(OC)c(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001599604039 993857786 /nfs/dbraw/zinc/85/77/86/993857786.db2.gz APIGYNOJPCWABV-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(F)c1 ZINC001599618055 994043893 /nfs/dbraw/zinc/04/38/93/994043893.db2.gz XAFADQFZOOZSQW-UHFFFAOYSA-N -1 2 372.399 2.667 20 0 FFADLM C[C@@H](Oc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1F)C(=O)[O-] ZINC001593632010 995917659 /nfs/dbraw/zinc/91/76/59/995917659.db2.gz OGZXHQFDAURTTD-SSDOTTSWSA-N -1 2 355.268 2.914 20 0 FFADLM COCc1cc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc(C(=O)[O-])c1 ZINC001599289521 997039156 /nfs/dbraw/zinc/03/91/56/997039156.db2.gz OSMHGACBFHILAN-UHFFFAOYSA-N -1 2 371.361 2.919 20 0 FFADLM COCc1ccc(OC)c(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001599295186 997128132 /nfs/dbraw/zinc/12/81/32/997128132.db2.gz KHIIGOLEZDKCNG-UHFFFAOYSA-N -1 2 371.436 2.711 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C2CCC2)n1 ZINC001186150555 1003199060 /nfs/dbraw/zinc/19/90/60/1003199060.db2.gz HLPMJYIIOPADFG-UHFFFAOYSA-N -1 2 353.375 2.555 20 0 FFADLM Cc1nocc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192407961 1004163940 /nfs/dbraw/zinc/16/39/40/1004163940.db2.gz TYVJNYOSFKGPRG-UHFFFAOYSA-N -1 2 351.167 2.789 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2nccc3cnccc32)cc1C(=O)[O-] ZINC001192609074 1004214817 /nfs/dbraw/zinc/21/48/17/1004214817.db2.gz RCVMAJISWPXBQF-UHFFFAOYSA-N -1 2 373.390 2.528 20 0 FFADLM CCOC(=O)c1cc(C)sc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739387 1004717784 /nfs/dbraw/zinc/71/77/84/1004717784.db2.gz QEMKXDYJINNZHZ-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)NC2(C(F)(F)F)CCCC2)c(F)cc1F ZINC001195260551 1004926145 /nfs/dbraw/zinc/92/61/45/1004926145.db2.gz ZIHQITQQZCGXFL-UHFFFAOYSA-N -1 2 373.299 2.816 20 0 FFADLM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(Cl)cc(O)cc2Cl)O1 ZINC001142108896 1030032992 /nfs/dbraw/zinc/03/29/92/1030032992.db2.gz DQVIPIJQKNEZRO-KFWWJZLASA-N -1 2 359.253 2.519 20 0 FFADLM CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001139853003 1035253840 /nfs/dbraw/zinc/25/38/40/1035253840.db2.gz ABHGSGOEGLEOAY-UHFFFAOYSA-N -1 2 369.450 2.663 20 0 FFADLM CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001139853003 1035253843 /nfs/dbraw/zinc/25/38/43/1035253843.db2.gz ABHGSGOEGLEOAY-UHFFFAOYSA-N -1 2 369.450 2.663 20 0 FFADLM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234340099 1036991995 /nfs/dbraw/zinc/99/19/95/1036991995.db2.gz SKYGTZYQPBIQBH-YEORSEQZSA-N -1 2 373.342 2.935 20 0 FFADLM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234340099 1036992003 /nfs/dbraw/zinc/99/20/03/1036992003.db2.gz SKYGTZYQPBIQBH-YEORSEQZSA-N -1 2 373.342 2.935 20 0 FFADLM Cc1ccc(N2CCC(Oc3nc(=O)[nH]c4c3SCCC4)CC2)[nH+]c1 ZINC001234919907 1037241722 /nfs/dbraw/zinc/24/17/22/1037241722.db2.gz FUVOPHJLTNAJBD-UHFFFAOYSA-N -1 2 358.467 2.972 20 0 FFADLM CC(C)(O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215192 1040467032 /nfs/dbraw/zinc/46/70/32/1040467032.db2.gz LXKLSYNXCLMOHC-UHFFFAOYSA-N -1 2 353.371 2.552 20 0 FFADLM COC(=O)c1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)[nH]n1 ZINC001213463759 1040576065 /nfs/dbraw/zinc/57/60/65/1040576065.db2.gz OQLADJUBWYMRDB-UHFFFAOYSA-N -1 2 359.392 2.812 20 0 FFADLM O=C([O-])c1ccccc1-c1ccc(S(=O)(=O)Nc2nccs2)cn1 ZINC001242878997 1044813194 /nfs/dbraw/zinc/81/31/94/1044813194.db2.gz KWTFQOBVFALQKF-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@@H](CC)C1 ZINC001357473632 1055916497 /nfs/dbraw/zinc/91/64/97/1055916497.db2.gz HLFCSVIBKYDYPX-GFCCVEGCSA-N -1 2 367.885 2.770 20 0 FFADLM C[C@@H](NS(=O)(=O)c1cc(O)cc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC001561495708 1076384609 /nfs/dbraw/zinc/38/46/09/1076384609.db2.gz UYGYUWYZSCHLKE-SJKOYZFVSA-N -1 2 352.431 2.501 20 0 FFADLM CC(C)C[C@@H](CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001588858250 1080220352 /nfs/dbraw/zinc/22/03/52/1080220352.db2.gz IKOXNLIBSVAJIR-NSHDSACASA-N -1 2 365.817 2.708 20 0 FFADLM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Br)cc(F)c1O ZINC001589303100 1080473201 /nfs/dbraw/zinc/47/32/01/1080473201.db2.gz OFIBBVYQLYHBKT-HTQZYQBOSA-N -1 2 360.179 2.619 20 0 FFADLM COC(=O)c1sccc1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000110284354 206073446 /nfs/dbraw/zinc/07/34/46/206073446.db2.gz WWHAZVOQYFKRDZ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=c1nc(C[N@H+]2CCCC[C@@H]2CO)[nH]c2scc(-c3ccccc3)c21 ZINC000153100849 251100746 /nfs/dbraw/zinc/10/07/46/251100746.db2.gz SYZFNIAZUOOTPG-CQSZACIVSA-N -1 2 355.463 2.998 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1C(=O)OC ZINC000045945959 507050988 /nfs/dbraw/zinc/05/09/88/507050988.db2.gz WKBJTJVUYKSRAV-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)Nc2ccccc2CC(=O)[O-])=N1 ZINC000237661062 509705680 /nfs/dbraw/zinc/70/56/80/509705680.db2.gz KVSSAZYZZZFVPZ-UHFFFAOYSA-N -1 2 369.352 2.905 20 0 FFADLM Cc1cc(-c2ncccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000189720048 509719869 /nfs/dbraw/zinc/71/98/69/509719869.db2.gz POPKJTRULOXJFU-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)sc1C(=O)[O-] ZINC000187735020 510409349 /nfs/dbraw/zinc/40/93/49/510409349.db2.gz OIRMUOXFJIANFM-VIFPVBQESA-N -1 2 355.441 2.723 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000326585863 511860459 /nfs/dbraw/zinc/86/04/59/511860459.db2.gz CBVAITBDMBHPHG-UHFFFAOYSA-N -1 2 350.396 2.676 20 0 FFADLM Cc1nc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])cs2)no1 ZINC000370745807 513081888 /nfs/dbraw/zinc/08/18/88/513081888.db2.gz VDWVQBUBSWAWRD-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000447112089 513399938 /nfs/dbraw/zinc/39/99/38/513399938.db2.gz GTBUCDFLPLYJBS-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436024933 513739305 /nfs/dbraw/zinc/73/93/05/513739305.db2.gz KLTWCCACXWSPML-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1 ZINC000436998242 514070101 /nfs/dbraw/zinc/07/01/01/514070101.db2.gz YHOZGNDTMBENIT-UHFFFAOYSA-N -1 2 350.377 2.501 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000444420210 514224650 /nfs/dbraw/zinc/22/46/50/514224650.db2.gz CVAYGOCZHMXVKV-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM O=S(=O)(Nc1ccn(CCC(F)(F)F)n1)c1cccc(Cl)c1[O-] ZINC000424076954 514371606 /nfs/dbraw/zinc/37/16/06/514371606.db2.gz AHRJDSUSQGIGPG-UHFFFAOYSA-N -1 2 369.752 2.995 20 0 FFADLM O=S(=O)([N-]c1ccn(CCC(F)(F)F)n1)c1cccc(Cl)c1O ZINC000424076954 514371609 /nfs/dbraw/zinc/37/16/09/514371609.db2.gz AHRJDSUSQGIGPG-UHFFFAOYSA-N -1 2 369.752 2.995 20 0 FFADLM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC000421147183 514503750 /nfs/dbraw/zinc/50/37/50/514503750.db2.gz DFTIUKJQOWBUQM-LBPRGKRZSA-N -1 2 357.378 2.670 20 0 FFADLM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512087300 516145561 /nfs/dbraw/zinc/14/55/61/516145561.db2.gz GATBULOSOBXNLN-MGPLVRAMSA-N -1 2 374.828 2.833 20 0 FFADLM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1C ZINC000547545230 516399218 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)c1C ZINC000525751398 517148195 /nfs/dbraw/zinc/14/81/95/517148195.db2.gz XTFGIHNSVYXJBK-UHFFFAOYSA-N -1 2 351.428 2.655 20 0 FFADLM Cn1ncc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C(=O)[O-] ZINC000538090194 517461757 /nfs/dbraw/zinc/46/17/57/517461757.db2.gz QOMQZARKYPYJMU-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000538298061 517548958 /nfs/dbraw/zinc/54/89/58/517548958.db2.gz IITBYUIUIGAIEA-NSHDSACASA-N -1 2 351.428 2.970 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000538299451 517551484 /nfs/dbraw/zinc/55/14/84/517551484.db2.gz IHTLTOXSIYOVGI-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM COc1cc(S(=O)(=O)Nc2c(C)cccc2O)c(Cl)cc1C(=O)[O-] ZINC000538495887 517642516 /nfs/dbraw/zinc/64/25/16/517642516.db2.gz IDVVTZWTKRAKRS-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)=N2)cc1 ZINC000516927702 517920803 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358.442 2.683 20 0 FFADLM C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2O)C1 ZINC001076749718 979843905 /nfs/dbraw/zinc/84/39/05/979843905.db2.gz IOXVTMYVUIFCTO-XHBKTUGNSA-N -1 2 360.841 2.582 20 0 FFADLM C[C@@H](Cc1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912674 979880138 /nfs/dbraw/zinc/88/01/38/979880138.db2.gz KOWLMKSHHAOEIH-VIFPVBQESA-N -1 2 370.431 2.512 20 0 FFADLM COc1cccc(O)c1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001272043848 980590180 /nfs/dbraw/zinc/59/01/80/980590180.db2.gz LRKJYIAYSMELOB-UHFFFAOYSA-N -1 2 358.360 2.644 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)c1ncc(C(=O)[O-])cc1Cl ZINC001598538292 992867977 /nfs/dbraw/zinc/86/79/77/992867977.db2.gz NFEKGKZUIUZTOX-UHFFFAOYSA-N -1 2 350.787 2.780 20 0 FFADLM COCc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599296205 997146393 /nfs/dbraw/zinc/14/63/93/997146393.db2.gz FOGKDNKLEMALHM-UHFFFAOYSA-N -1 2 371.798 2.691 20 0 FFADLM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1O ZINC001594158190 998583459 /nfs/dbraw/zinc/58/34/59/998583459.db2.gz DOQWWSDMIHWTHT-POYBYMJQSA-N -1 2 362.607 2.743 20 0 FFADLM O=C(Nc1nccc(Br)c1O)c1cc(F)c(F)c([O-])c1F ZINC001169383370 1000044359 /nfs/dbraw/zinc/04/43/59/1000044359.db2.gz UPGQHKRQKNNIPS-UHFFFAOYSA-N -1 2 363.089 2.925 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnn3cccc(F)c23)c1 ZINC001187554164 1006142934 /nfs/dbraw/zinc/14/29/34/1006142934.db2.gz FVGJOSMOHGCJSD-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM COc1nc(C)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188277347 1006498160 /nfs/dbraw/zinc/49/81/60/1006498160.db2.gz VOVONSBDRORMEA-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3ccc(Cl)c(O)c3)CC2)C1=O ZINC001277154661 1034835096 /nfs/dbraw/zinc/83/50/96/1034835096.db2.gz FMQMTRAIAUMLNA-ZDUSSCGKSA-N -1 2 364.873 2.838 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2CC2CC2)c(F)cc1Cl ZINC001259213872 1039808170 /nfs/dbraw/zinc/80/81/70/1039808170.db2.gz QLBPKNXXACNFHF-UHFFFAOYSA-N -1 2 373.793 2.585 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cnc1F ZINC001259213535 1039808220 /nfs/dbraw/zinc/80/82/20/1039808220.db2.gz YYAKHJNFRNHXML-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccnc2C(F)(F)F)c1 ZINC001260210517 1040464833 /nfs/dbraw/zinc/46/48/33/1040464833.db2.gz YWIDLZUBBBTJAR-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CN1CCCc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC001260215323 1040466608 /nfs/dbraw/zinc/46/66/08/1040466608.db2.gz VPRBHUHXXMVGLK-UHFFFAOYSA-N -1 2 364.398 2.707 20 0 FFADLM O=C1NCCCC12CC[NH+](Cc1c(Br)ccc(O)c1F)CC2 ZINC001238308843 1043644899 /nfs/dbraw/zinc/64/48/99/1043644899.db2.gz KHHBZGZDYXLBRR-UHFFFAOYSA-N -1 2 371.250 2.786 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001358130629 1056153782 /nfs/dbraw/zinc/15/37/82/1056153782.db2.gz TWQTXQCXHFUJRL-NSHDSACASA-N -1 2 361.837 2.960 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccn(C(C)C)n1 ZINC000280883980 256580193 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CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000319626306 511811204 /nfs/dbraw/zinc/81/12/04/511811204.db2.gz OWBMCXGKCUECNB-UHFFFAOYSA-N -1 2 354.409 2.514 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000325365760 511846694 /nfs/dbraw/zinc/84/66/94/511846694.db2.gz ITAKCXIWJBBAPC-UHFFFAOYSA-N -1 2 350.396 2.542 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1C(C)C ZINC000421181850 513139372 /nfs/dbraw/zinc/13/93/72/513139372.db2.gz JOHSSIOOGAZJEY-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000439621786 513152733 /nfs/dbraw/zinc/15/27/33/513152733.db2.gz MKMPWKCPZWMFAV-UHFFFAOYSA-N -1 2 369.345 2.813 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)NCCCCCC(=O)[O-])s[nH]1 ZINC000417780262 513204341 /nfs/dbraw/zinc/20/43/41/513204341.db2.gz CRKBLUCALBUKHN-UHFFFAOYSA-N -1 2 354.457 2.763 20 0 FFADLM CCOC(=O)c1coc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)n1 ZINC000418864678 513676049 /nfs/dbraw/zinc/67/60/49/513676049.db2.gz 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ZINC000444426247 514227445 /nfs/dbraw/zinc/22/74/45/514227445.db2.gz PMGBUSBOKQOLAQ-UHFFFAOYSA-N -1 2 373.390 2.584 20 0 FFADLM Cc1ccc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2n1 ZINC000433509512 514506564 /nfs/dbraw/zinc/50/65/64/514506564.db2.gz KNTFKRGPVYEIPP-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433526204 514509083 /nfs/dbraw/zinc/50/90/83/514509083.db2.gz UQMXMYUCMCALQJ-JTQLQIEISA-N -1 2 351.380 2.599 20 0 FFADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433526206 514509290 /nfs/dbraw/zinc/50/92/90/514509290.db2.gz UQMXMYUCMCALQJ-SNVBAGLBSA-N -1 2 351.380 2.599 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)s1 ZINC000489033538 514680660 /nfs/dbraw/zinc/68/06/60/514680660.db2.gz BTHONJLPNPHBFH-UHFFFAOYSA-N -1 2 370.452 2.587 20 0 FFADLM C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000462264497 514964561 /nfs/dbraw/zinc/96/45/61/514964561.db2.gz ACHRZHBOIYEMIS-ZFWWWQNUSA-N 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COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)CCCC1 ZINC000584145367 519609836 /nfs/dbraw/zinc/60/98/36/519609836.db2.gz WANRJRWMFDZJIU-UHFFFAOYSA-N -1 2 365.810 2.660 20 0 FFADLM Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnc3c(F)cc(F)cc3c2O)CC1(C)C ZINC000572455187 519617227 /nfs/dbraw/zinc/61/72/27/519617227.db2.gz FABMFFATZOKJKG-INIZCTEOSA-N -1 2 372.375 2.763 20 0 FFADLM CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000736993428 599739510 /nfs/dbraw/zinc/73/95/10/599739510.db2.gz FBXZSMVBKKJBKV-UHFFFAOYSA-N -1 2 364.423 2.894 20 0 FFADLM CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000736993428 599739513 /nfs/dbraw/zinc/73/95/13/599739513.db2.gz FBXZSMVBKKJBKV-UHFFFAOYSA-N -1 2 364.423 2.894 20 0 FFADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737203606 599852066 /nfs/dbraw/zinc/85/20/66/599852066.db2.gz NHBXEZHCFZTUEX-UHFFFAOYSA-N -1 2 369.370 2.732 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1C(=O)[O-] ZINC000327124306 600423368 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CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000828870862 601502078 /nfs/dbraw/zinc/50/20/78/601502078.db2.gz YJPDONQKZKVOHE-UHFFFAOYSA-N -1 2 355.441 2.941 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000829373145 601502255 /nfs/dbraw/zinc/50/22/55/601502255.db2.gz HOSJUVBYJLCFOZ-UHFFFAOYSA-N -1 2 369.468 2.699 20 0 FFADLM CCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000829573971 601503333 /nfs/dbraw/zinc/50/33/33/601503333.db2.gz MJNVFWWCYDIWAY-UHFFFAOYSA-N -1 2 361.832 2.643 20 0 FFADLM CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000827168662 601503352 /nfs/dbraw/zinc/50/33/52/601503352.db2.gz QXTYDGTUWVLRDI-UHFFFAOYSA-N -1 2 361.832 2.814 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(F)cc2F)n1 ZINC000321113452 601771760 /nfs/dbraw/zinc/77/17/60/601771760.db2.gz GKCYDIRGGKZCMS-UHFFFAOYSA-N -1 2 362.379 2.629 20 0 FFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000833294307 601847600 /nfs/dbraw/zinc/84/76/00/601847600.db2.gz 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FFADLM Cc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(C(=O)[O-])c1 ZINC000507629652 992554944 /nfs/dbraw/zinc/55/49/44/992554944.db2.gz KTIPTPVYTGVQRF-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM COc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])c1OC ZINC001599679759 994960562 /nfs/dbraw/zinc/96/05/62/994960562.db2.gz FZHFEJDSZLFTSZ-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC001599387797 996975927 /nfs/dbraw/zinc/97/59/27/996975927.db2.gz MPJPWTPDIXIEHA-UHFFFAOYSA-N -1 2 368.436 2.530 20 0 FFADLM COc1cncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC001193973320 1004622565 /nfs/dbraw/zinc/62/25/65/1004622565.db2.gz RKAZMYJUCZJSEN-UHFFFAOYSA-N -1 2 374.777 2.690 20 0 FFADLM O=S(=O)(Cc1noc2ccccc12)Nc1ccccc1-n1cc[nH+]c1 ZINC001194044648 1004638119 /nfs/dbraw/zinc/63/81/19/1004638119.db2.gz IYRQEDHMOAUVNT-UHFFFAOYSA-N -1 2 354.391 2.955 20 0 FFADLM CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001188273002 1006496813 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FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001342561192 1051165755 /nfs/dbraw/zinc/16/57/55/1051165755.db2.gz WEXLDQIYLVUKCP-GFCCVEGCSA-N -1 2 367.885 2.626 20 0 FFADLM CCC[C@@H]1CCCN1c1nnc(-c2n[nH]c(Cl)n2)n1C[C@@H]1CCOC1 ZINC001345668822 1052567604 /nfs/dbraw/zinc/56/76/04/1052567604.db2.gz PCKIMIPAIDNXGA-NWDGAFQWSA-N -1 2 365.869 2.522 20 0 FFADLM CC1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C[C@H]2CCCCO2)CC1 ZINC001345757949 1052602137 /nfs/dbraw/zinc/60/21/37/1052602137.db2.gz LGXWLDBBCBUBMD-GFCCVEGCSA-N -1 2 365.869 2.522 20 0 FFADLM CC(C)C[C@H](CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001588858247 1080220015 /nfs/dbraw/zinc/22/00/15/1080220015.db2.gz IKOXNLIBSVAJIR-LLVKDONJSA-N -1 2 365.817 2.708 20 0 FFADLM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1C ZINC000060707138 507574824 /nfs/dbraw/zinc/57/48/24/507574824.db2.gz DWHYKUYVXRVMPW-UHFFFAOYSA-N -1 2 368.342 2.850 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000184648056 510438669 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C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc(Br)c3O)C2)C1 ZINC000452157860 514221859 /nfs/dbraw/zinc/22/18/59/514221859.db2.gz YKZVRPZZDVHVFP-INIZCTEOSA-N -1 2 371.250 2.852 20 0 FFADLM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC000421147182 514503360 /nfs/dbraw/zinc/50/33/60/514503360.db2.gz DFTIUKJQOWBUQM-GFCCVEGCSA-N -1 2 357.378 2.670 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000466287973 514598356 /nfs/dbraw/zinc/59/83/56/514598356.db2.gz KOYRIFXYWUTZDX-UHFFFAOYSA-N -1 2 357.391 2.884 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000484791868 514796987 /nfs/dbraw/zinc/79/69/87/514796987.db2.gz CKPKLJYZRBAQLQ-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C ZINC000480240647 514893149 /nfs/dbraw/zinc/89/31/49/514893149.db2.gz LLZSTUYPMGGAEI-SNVBAGLBSA-N -1 2 367.427 2.670 20 0 FFADLM COc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1 ZINC000504642701 515346536 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Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000540942533 516790696 /nfs/dbraw/zinc/79/06/96/516790696.db2.gz YTXBJWQBQFKAMH-UHFFFAOYSA-N -1 2 367.404 2.521 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000537838974 517369282 /nfs/dbraw/zinc/36/92/82/517369282.db2.gz MNFLHGPVVKZGAP-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM Cc1scnc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000530140910 517587658 /nfs/dbraw/zinc/58/76/58/517587658.db2.gz RGGCQJOKNBLNOQ-UHFFFAOYSA-N -1 2 352.437 2.829 20 0 FFADLM Cc1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c(O)c1 ZINC000549735875 517681477 /nfs/dbraw/zinc/68/14/77/517681477.db2.gz SMUNTLOOGXPISX-QGZVFWFLSA-N -1 2 370.453 2.670 20 0 FFADLM COc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])c1 ZINC000542735854 517708980 /nfs/dbraw/zinc/70/89/80/517708980.db2.gz SXEMYEOTNNKINN-UHFFFAOYSA-N -1 2 367.427 2.588 20 0 FFADLM CC1(C)Cc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2O1 ZINC000530488758 517806128 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FFADLM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC001609010032 1071275789 /nfs/dbraw/zinc/27/57/89/1071275789.db2.gz WECDVVXCSVYRSP-UHFFFAOYSA-N -1 2 353.208 2.949 20 0 FFADLM CCC1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C[C@@H]2CCCO2)CC1 ZINC001525108022 1063149082 /nfs/dbraw/zinc/14/90/82/1063149082.db2.gz AEVLZUYTRQVCGO-LBPRGKRZSA-N -1 2 365.869 2.522 20 0 FFADLM CC(C)C[C@@H](CNC(=O)c1cc(Br)c(F)cc1O)C(=O)[O-] ZINC001588854818 1080219677 /nfs/dbraw/zinc/21/96/77/1080219677.db2.gz LBQSRNASLHCHOS-QMMMGPOBSA-N -1 2 362.195 2.771 20 0 FFADLM COc1ccc2c(c1)[nH]cc(C(=O)N1CCC(n3c[nH+]cc3C)CC1)c2=O ZINC000377324926 512217268 /nfs/dbraw/zinc/21/72/68/512217268.db2.gz RVEWBSISPXITCS-UHFFFAOYSA-N -1 2 366.421 2.519 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cn1 ZINC000134617559 508551917 /nfs/dbraw/zinc/55/19/17/508551917.db2.gz GBUBOVNJMSUHKE-UHFFFAOYSA-N -1 2 351.428 2.672 20 0 FFADLM Cc1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000274407117 511824285 /nfs/dbraw/zinc/82/42/85/511824285.db2.gz UHUQWKFOFRJFMY-VIFPVBQESA-N -1 2 366.377 2.604 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c(F)c1 ZINC000325723160 511850500 /nfs/dbraw/zinc/85/05/00/511850500.db2.gz USHADCISULJEMD-UHFFFAOYSA-N -1 2 361.297 2.926 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cc1OC ZINC000327279200 511872341 /nfs/dbraw/zinc/87/23/41/511872341.db2.gz UDYWPARRVMCSEA-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CC(C)(CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000424409727 513132741 /nfs/dbraw/zinc/13/27/41/513132741.db2.gz XQYFVCYKFYPHGS-AWEZNQCLSA-N -1 2 371.441 2.819 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1C(C)C ZINC000421171766 513133643 /nfs/dbraw/zinc/13/36/43/513133643.db2.gz HWQULNNXOMOROX-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1c(F)ccc(O)c1F ZINC000425374563 513534137 /nfs/dbraw/zinc/53/41/37/513534137.db2.gz SHLCGQPDVIRPFL-UHFFFAOYSA-N -1 2 360.360 2.789 20 0 FFADLM CCC[C@H]1CN(C(=O)c2cc(Cl)c(O)c(OC)c2)CC[N@@H+]1CCOC ZINC000443139336 513884227 /nfs/dbraw/zinc/88/42/27/513884227.db2.gz WOCWHRRAWPWDPZ-AWEZNQCLSA-N -1 2 370.877 2.627 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000436787897 513982205 /nfs/dbraw/zinc/98/22/05/513982205.db2.gz ZPJGDCHBJYFWPT-UHFFFAOYSA-N -1 2 373.333 2.801 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C(C)C ZINC000480231069 514890421 /nfs/dbraw/zinc/89/04/21/514890421.db2.gz QWVLVFSFOAOMMF-UHFFFAOYSA-N -1 2 354.432 2.634 20 0 FFADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000485123667 514924058 /nfs/dbraw/zinc/92/40/58/514924058.db2.gz KPFCUPBRFWHDMG-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000485219714 514962608 /nfs/dbraw/zinc/96/26/08/514962608.db2.gz CDYXPQYFCCFJDW-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1C(=O)[O-] ZINC000476743652 515180711 /nfs/dbraw/zinc/18/07/11/515180711.db2.gz UYYYPNWQTUMQHH-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)CC1 ZINC000459536545 515629340 /nfs/dbraw/zinc/62/93/40/515629340.db2.gz SJSWTWJIKAXSLB-LBPRGKRZSA-N -1 2 362.289 2.554 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000506994443 516046922 /nfs/dbraw/zinc/04/69/22/516046922.db2.gz ILVMFPCWQNEDGX-UHFFFAOYSA-N -1 2 370.814 2.562 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000507027545 516059679 /nfs/dbraw/zinc/05/96/79/516059679.db2.gz VYDVKWXKAPKLKI-UHFFFAOYSA-N -1 2 351.355 2.663 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479232417 516119365 /nfs/dbraw/zinc/11/93/65/516119365.db2.gz REUKPVYJDTZVSV-UHFFFAOYSA-N -1 2 370.814 2.941 20 0 FFADLM CCc1ccc(O)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512725370 516337085 /nfs/dbraw/zinc/33/70/85/516337085.db2.gz MUVQUJLXNHAYKZ-UHFFFAOYSA-N -1 2 353.371 2.901 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000548524109 517034059 /nfs/dbraw/zinc/03/40/59/517034059.db2.gz CYNNEHHFDKVKJP-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000585732622 518578883 /nfs/dbraw/zinc/57/88/83/518578883.db2.gz FYLHNFQKCWAPES-UHFFFAOYSA-N -1 2 369.782 2.626 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1C(=O)[O-] ZINC000564969789 518722224 /nfs/dbraw/zinc/72/22/24/518722224.db2.gz DZYMLZFELYTPQH-UHFFFAOYSA-N -1 2 369.418 2.876 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)sc1C(=O)[O-] ZINC000589980898 519117830 /nfs/dbraw/zinc/11/78/30/519117830.db2.gz WCCDSNQRNHBBBV-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc12 ZINC000592429618 520388409 /nfs/dbraw/zinc/38/84/09/520388409.db2.gz CXAYSDGLQWLACZ-UHFFFAOYSA-N -1 2 352.318 2.945 20 0 FFADLM Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000592715347 520538017 /nfs/dbraw/zinc/53/80/17/520538017.db2.gz UZWXFCYNWWATRV-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1O ZINC000436474994 569966394 /nfs/dbraw/zinc/96/63/94/569966394.db2.gz BBAQAKAABCRTMV-UHFFFAOYSA-N -1 2 354.815 2.548 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000319565522 600102969 /nfs/dbraw/zinc/10/29/69/600102969.db2.gz GJYGDAUIAIBBCB-UHFFFAOYSA-N -1 2 352.437 2.847 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(F)cc1F ZINC000740089749 600236001 /nfs/dbraw/zinc/23/60/01/600236001.db2.gz JZQWNEXHAFQJLE-UHFFFAOYSA-N -1 2 352.318 2.945 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1 ZINC000323114366 601576917 /nfs/dbraw/zinc/57/69/17/601576917.db2.gz GRHSNTYXFSZEGJ-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])CCCCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000833225738 601757329 /nfs/dbraw/zinc/75/73/29/601757329.db2.gz MCGQCMVMYRLFGE-UHFFFAOYSA-N -1 2 350.596 2.793 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000833345723 601768585 /nfs/dbraw/zinc/76/85/85/601768585.db2.gz WEXXUKCQHTXVLZ-UHFFFAOYSA-N -1 2 367.452 2.632 20 0 FFADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c1 ZINC000825951751 602306072 /nfs/dbraw/zinc/30/60/72/602306072.db2.gz NQLNSODGECITJL-UHFFFAOYSA-N -1 2 374.827 2.807 20 0 FFADLM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc(Cl)c1O)Cc1ccc(O)cc1 ZINC000833132412 604998105 /nfs/dbraw/zinc/99/81/05/604998105.db2.gz ASOIVZAJAXMGJZ-SNVBAGLBSA-N -1 2 367.760 2.564 20 0 FFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000185568478 729351974 /nfs/dbraw/zinc/35/19/74/729351974.db2.gz LAVJHFRPSKUANH-UHFFFAOYSA-N -1 2 361.206 2.816 20 0 FFADLM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000327854019 729793713 /nfs/dbraw/zinc/79/37/13/729793713.db2.gz JJZGUBIZOYFYDB-UHFFFAOYSA-N -1 2 372.305 2.680 20 0 FFADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000390234781 729838208 /nfs/dbraw/zinc/83/82/08/729838208.db2.gz AJUKIONFBGKPNI-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM CCc1ccccc1[C@@H](CC(=O)[O-])NS(=O)(=O)[C@H](C)C(F)(F)F ZINC000864448494 730847013 /nfs/dbraw/zinc/84/70/13/730847013.db2.gz PVVKMMLHQCRYHE-BXKDBHETSA-N -1 2 353.362 2.635 20 0 FFADLM CCc1noc(C)c1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000677234797 733927161 /nfs/dbraw/zinc/92/71/61/733927161.db2.gz LNHIIROJGBWZMY-UHFFFAOYSA-N -1 2 374.802 2.706 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000758168993 736457892 /nfs/dbraw/zinc/45/78/92/736457892.db2.gz JKDVQUHBWSZEGS-UHFFFAOYSA-N -1 2 363.317 2.602 20 0 FFADLM COc1cnc([C@@H]2CCC[N@H+]2C[C@H](O)Cc2cccc(Cl)c2)[nH]c1=O ZINC000934279978 739758711 /nfs/dbraw/zinc/75/87/11/739758711.db2.gz RBXIUEZTLADZIZ-CABCVRRESA-N -1 2 363.845 2.585 20 0 FFADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(F)c1 ZINC000795366335 740010964 /nfs/dbraw/zinc/01/09/64/740010964.db2.gz RIYQNIAGBRWQCM-UHFFFAOYSA-N -1 2 366.370 2.592 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000830028856 745296670 /nfs/dbraw/zinc/29/66/70/745296670.db2.gz SQYAPUFTJOQGKG-UHFFFAOYSA-N -1 2 368.386 2.735 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000321383894 845801299 /nfs/dbraw/zinc/80/12/99/845801299.db2.gz XIORCLBUKFCZGS-UHFFFAOYSA-N -1 2 352.437 2.839 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000392372350 845853213 /nfs/dbraw/zinc/85/32/13/845853213.db2.gz IBGHPHITUSJHFR-UHFFFAOYSA-N -1 2 357.334 2.863 20 0 FFADLM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC001594990445 951041025 /nfs/dbraw/zinc/04/10/25/951041025.db2.gz DILLKCZORSHMND-QMMMGPOBSA-N -1 2 360.179 2.621 20 0 FFADLM CCc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)n[nH]2)cc1 ZINC001593633464 953592927 /nfs/dbraw/zinc/59/29/27/953592927.db2.gz FLSLWKNLAKLLOC-UHFFFAOYSA-N -1 2 371.418 2.706 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c[nH]nc32)c1 ZINC000024381178 957159521 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COc1ccc(OC)c(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC001599607340 993904765 /nfs/dbraw/zinc/90/47/65/993904765.db2.gz ZVNPXDZDXSFJJJ-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM C[N@@H+]1CCN(CCCNc2cc(C(=O)[O-])cc[nH+]2)[C@@H](c2ccccc2)C1 ZINC001598617913 993927387 /nfs/dbraw/zinc/92/73/87/993927387.db2.gz LITVUUHVIVVQJA-GOSISDBHSA-N -1 2 354.454 2.571 20 0 FFADLM COc1cc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)cnc1Cl ZINC001599461408 998279786 /nfs/dbraw/zinc/27/97/86/998279786.db2.gz SLMQWXFRSHGZIM-UHFFFAOYSA-N -1 2 362.816 2.613 20 0 FFADLM COC(=O)c1sc(C)cc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001599021472 998983099 /nfs/dbraw/zinc/98/30/99/998983099.db2.gz YGHBFQMCSRGVQB-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1nc2c(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cccn2c1C ZINC001184670447 1002668700 /nfs/dbraw/zinc/66/87/00/1002668700.db2.gz PIFYQYMRAYYFFD-UHFFFAOYSA-N -1 2 359.407 2.759 20 0 FFADLM COC(=O)c1sc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184659474 1002678931 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O=C(CNc1ccc([P@@](=O)([O-])O)cc1)c1cccc(Br)c1 ZINC001162066884 1028418607 /nfs/dbraw/zinc/41/86/07/1028418607.db2.gz JNNXRDKLYIITLP-UHFFFAOYSA-N -1 2 370.139 2.547 20 0 FFADLM O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001232970737 1036198185 /nfs/dbraw/zinc/19/81/85/1036198185.db2.gz WOYKYAIRHIQMQY-CQSZACIVSA-N -1 2 350.409 2.941 20 0 FFADLM CCO[C@H]1CC[N@@H+](Cc2cc([O-])c(F)c(F)c2)[C@H]1Cc1cnn(C)c1 ZINC001232970138 1036198401 /nfs/dbraw/zinc/19/84/01/1036198401.db2.gz ODSGVFIELRRRGY-RDJZCZTQSA-N -1 2 351.397 2.626 20 0 FFADLM O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1c(F)ccc(O)c1F)C2 ZINC001233395040 1036596530 /nfs/dbraw/zinc/59/65/30/1036596530.db2.gz JXCFFQQIOLPIMX-MGPUTAFESA-N -1 2 373.403 2.594 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnc(C3CCC3)c2)c1 ZINC001260210121 1040464879 /nfs/dbraw/zinc/46/48/79/1040464879.db2.gz BBJJDCMLFHMAKR-UHFFFAOYSA-N -1 2 350.371 2.987 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCCC3=O)c1 ZINC001260215966 1040467095 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CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000031669173 507821016 /nfs/dbraw/zinc/82/10/16/507821016.db2.gz CPSIUCLHTVRUSK-UHFFFAOYSA-N -1 2 368.436 2.842 20 0 FFADLM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000181754680 510575291 /nfs/dbraw/zinc/57/52/91/510575291.db2.gz SOOCYTXOVRFNNV-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(Cl)cc2C)c1C ZINC000295197070 511318605 /nfs/dbraw/zinc/31/86/05/511318605.db2.gz MJOGQGZNAXXQKC-UHFFFAOYSA-N -1 2 371.846 2.981 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)c(F)c1 ZINC000327317677 511873161 /nfs/dbraw/zinc/87/31/61/511873161.db2.gz JGXRCTAXSWBDER-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c[nH]1 ZINC000390903472 512912432 /nfs/dbraw/zinc/91/24/32/512912432.db2.gz WIRJWEYDYPEXNY-UHFFFAOYSA-N -1 2 351.771 2.715 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C(C)C ZINC000421180515 513138483 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CCOc1ccc(S(=O)(=O)Nc2sc(CC)nc2C)cc1C(=O)[O-] ZINC000488994666 514665664 /nfs/dbraw/zinc/66/56/64/514665664.db2.gz RWGGPIPPMWYFGZ-UHFFFAOYSA-N -1 2 370.452 2.912 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000484964347 514857730 /nfs/dbraw/zinc/85/77/30/514857730.db2.gz VSFCOIPBTOUFSQ-UHFFFAOYSA-N -1 2 371.361 2.791 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000480204351 514878916 /nfs/dbraw/zinc/87/89/16/514878916.db2.gz SPTCUEYHZUPBEU-VIFPVBQESA-N -1 2 355.391 2.801 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000498481655 514922189 /nfs/dbraw/zinc/92/21/89/514922189.db2.gz QICWRUPTRYBGPJ-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1CC(C)C ZINC000499269549 515263746 /nfs/dbraw/zinc/26/37/46/515263746.db2.gz VEPNUKCCNQITNG-UHFFFAOYSA-N -1 2 365.455 2.666 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000478669726 515916727 /nfs/dbraw/zinc/91/67/27/515916727.db2.gz 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2.988 20 0 FFADLM Oc1c(F)ccc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)c1F ZINC001232935168 1036169537 /nfs/dbraw/zinc/16/95/37/1036169537.db2.gz CIXQSPAJBYBEMX-UHFFFAOYSA-N -1 2 362.424 2.869 20 0 FFADLM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234334552 1036990736 /nfs/dbraw/zinc/99/07/36/1036990736.db2.gz DCXGFIXXFXZEIT-BXUZGUMPSA-N -1 2 373.342 2.792 20 0 FFADLM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234334552 1036990750 /nfs/dbraw/zinc/99/07/50/1036990750.db2.gz DCXGFIXXFXZEIT-BXUZGUMPSA-N -1 2 373.342 2.792 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccc1CO ZINC001259220540 1039814056 /nfs/dbraw/zinc/81/40/56/1039814056.db2.gz LSOCONVJHOUELA-UHFFFAOYSA-N -1 2 373.789 2.779 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC001260216554 1040468787 /nfs/dbraw/zinc/46/87/87/1040468787.db2.gz OAUIYTGUBABJNJ-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001261503094 1041275613 /nfs/dbraw/zinc/27/56/13/1041275613.db2.gz LXSJNBSJTPJWGL-UHFFFAOYSA-N -1 2 372.406 2.543 20 0 FFADLM O=S(=O)(Nc1ccc(Br)c2c1C[NH2+]CC2)c1cccs1 ZINC001237776690 1043349709 /nfs/dbraw/zinc/34/97/09/1043349709.db2.gz NSRSCUOWLGIHDI-UHFFFAOYSA-N -1 2 373.297 2.957 20 0 FFADLM Oc1cc(F)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)cc1Cl ZINC001280053750 1044143052 /nfs/dbraw/zinc/14/30/52/1044143052.db2.gz ZXICDRWNGHYFPO-HOTGVXAUSA-N -1 2 350.825 2.757 20 0 FFADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001589283785 1080465019 /nfs/dbraw/zinc/46/50/19/1080465019.db2.gz JABOBAGSDGKNSK-UHFFFAOYSA-N -1 2 372.761 2.576 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)sc1C(=O)[O-] ZINC000272454556 252043204 /nfs/dbraw/zinc/04/32/04/252043204.db2.gz WWZHHUCEAJDKSO-UHFFFAOYSA-N -1 2 351.356 2.525 20 0 FFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(C)n1 ZINC000290478627 257334475 /nfs/dbraw/zinc/33/44/75/257334475.db2.gz HOVSGZHJQLUSML-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM C[NH+]1CCC(n2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)CC1 ZINC000373201030 512218058 /nfs/dbraw/zinc/21/80/58/512218058.db2.gz BNESPYCRCFHFCQ-UHFFFAOYSA-N -1 2 372.853 2.743 20 0 FFADLM CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774418 507018025 /nfs/dbraw/zinc/01/80/25/507018025.db2.gz HVWQXGAIHSKUPX-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM O=C(CC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccc(F)cc1 ZINC000122174790 508493826 /nfs/dbraw/zinc/49/38/26/508493826.db2.gz SETNYQULOMNWHH-UHFFFAOYSA-N -1 2 356.397 2.562 20 0 FFADLM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000137777302 508764776 /nfs/dbraw/zinc/76/47/76/508764776.db2.gz MOWXASHYCDDJOG-UHFFFAOYSA-N -1 2 357.457 2.798 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000132818117 509078907 /nfs/dbraw/zinc/07/89/07/509078907.db2.gz XLYMKVVSJCBHDO-UHFFFAOYSA-N -1 2 350.377 2.902 20 0 FFADLM Cc1nc(C)c(CCC(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c(=O)[nH]1 ZINC000268063979 509742302 /nfs/dbraw/zinc/74/23/02/509742302.db2.gz ZGANYDRIULHHBM-UHFFFAOYSA-N -1 2 369.400 2.827 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)=N2)cc1 ZINC000263570209 510752767 /nfs/dbraw/zinc/75/27/67/510752767.db2.gz ZWUBILPBCSFOOU-LBPRGKRZSA-N -1 2 357.410 2.779 20 0 FFADLM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc4[nH]nnc4c3)nc21 ZINC000294275585 511010877 /nfs/dbraw/zinc/01/08/77/511010877.db2.gz SVXDLWPJETURRE-SNVBAGLBSA-N -1 2 371.422 2.650 20 0 FFADLM CC(C)(C)[N@@H+]1CC[C@@H](NCc2nc(=O)[nH][nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000282944253 511171016 /nfs/dbraw/zinc/17/10/16/511171016.db2.gz CVTKRMWXKTYAGD-HIFRSBDPSA-N -1 2 367.856 2.594 20 0 FFADLM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000295230808 511329886 /nfs/dbraw/zinc/32/98/86/511329886.db2.gz SRRQVKIDSILEMQ-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC ZINC000298841840 511428296 /nfs/dbraw/zinc/42/82/96/511428296.db2.gz GJDVZKQCRUKVRT-UHFFFAOYSA-N -1 2 371.436 2.963 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000321813200 511822180 /nfs/dbraw/zinc/82/21/80/511822180.db2.gz BMJLYSKKCZRRQL-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM COc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000447275955 513434383 /nfs/dbraw/zinc/43/43/83/513434383.db2.gz YQMGETCPCPKKFE-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000451068436 513496001 /nfs/dbraw/zinc/49/60/01/513496001.db2.gz IEPSINXDHUVVJZ-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000436164000 513779619 /nfs/dbraw/zinc/77/96/19/513779619.db2.gz XYUPIECJYYGZSE-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CCC[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(OC)c2)CC[N@@H+]1CCOC ZINC000443139338 513884350 /nfs/dbraw/zinc/88/43/50/513884350.db2.gz WOCWHRRAWPWDPZ-CQSZACIVSA-N -1 2 370.877 2.627 20 0 FFADLM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1c(O)cccc1F ZINC000436614420 513918305 /nfs/dbraw/zinc/91/83/05/513918305.db2.gz XITDHRGRUYJANX-UHFFFAOYSA-N -1 2 365.336 2.926 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nncs2)cc1 ZINC000439253531 514513313 /nfs/dbraw/zinc/51/33/13/514513313.db2.gz BJHOOVJPUNVDKT-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509387877 515152244 /nfs/dbraw/zinc/15/22/44/515152244.db2.gz OQNOYTBMRYSSPG-UHFFFAOYSA-N -1 2 364.301 2.809 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)c1 ZINC000512733568 516339502 /nfs/dbraw/zinc/33/95/02/516339502.db2.gz MCHMPNJRGINQBE-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccnc2OC(C)C)c1 ZINC000512742730 516344473 /nfs/dbraw/zinc/34/44/73/516344473.db2.gz QIPPZECJHAGLLQ-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM Cc1cccc2[nH+]c(CNC(=O)Cc3ccc(Br)cc3O)cn21 ZINC000547746727 516537204 /nfs/dbraw/zinc/53/72/04/516537204.db2.gz UPEZGUVDCACXJT-UHFFFAOYSA-N -1 2 374.238 2.970 20 0 FFADLM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000540695937 516673404 /nfs/dbraw/zinc/67/34/04/516673404.db2.gz DARCTWCZMYCAQH-UHFFFAOYSA-N -1 2 374.422 2.625 20 0 FFADLM O=C(NC1(Cc2ccc(F)cc2)CCOCC1)c1cccc2[nH]nnc21 ZINC000519017040 516855767 /nfs/dbraw/zinc/85/57/67/516855767.db2.gz XETDQOBGURPISR-UHFFFAOYSA-N -1 2 354.385 2.619 20 0 FFADLM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000541807791 517223738 /nfs/dbraw/zinc/22/37/38/517223738.db2.gz SJFXXWJYNUTIID-UHFFFAOYSA-N -1 2 369.782 2.626 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000542235342 517451446 /nfs/dbraw/zinc/45/14/46/517451446.db2.gz BDWCSZIIUHRPHX-UHFFFAOYSA-N -1 2 365.455 2.963 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)c1 ZINC000553149593 517546102 /nfs/dbraw/zinc/54/61/02/517546102.db2.gz GPABJOKITJRPJT-UHFFFAOYSA-N -1 2 369.420 2.622 20 0 FFADLM O=C([O-])C[N@H+](Cc1ccc(F)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000521257861 517670150 /nfs/dbraw/zinc/67/01/50/517670150.db2.gz QKLSBKZGUNBTSK-UHFFFAOYSA-N -1 2 372.440 2.745 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000530717518 517937562 /nfs/dbraw/zinc/93/75/62/517937562.db2.gz WYZQOLGLZNCDTA-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM O=C([O-])CCCCCS(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000572838644 518385508 /nfs/dbraw/zinc/38/55/08/518385508.db2.gz FQFATPYETWJZHG-CYBMUJFWSA-N -1 2 353.362 2.854 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738323088 600244448 /nfs/dbraw/zinc/24/44/48/600244448.db2.gz BMQRPHSCRVPSSC-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000738736699 600247361 /nfs/dbraw/zinc/24/73/61/600247361.db2.gz RVHSPQPHOYESPF-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1C(=O)[O-] ZINC000832956697 600830488 /nfs/dbraw/zinc/83/04/88/600830488.db2.gz UCWGLADEKRBWGI-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c[nH]1 ZINC000314399551 600974057 /nfs/dbraw/zinc/97/40/57/600974057.db2.gz UHZKXHBSFNHMGH-UHFFFAOYSA-N -1 2 357.800 2.777 20 0 FFADLM Cc1ccc(C)c2sc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)nc21 ZINC000832925315 600976593 /nfs/dbraw/zinc/97/65/93/600976593.db2.gz IPVUODVURVECTM-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3s2)ccc1F ZINC000390373454 601358499 /nfs/dbraw/zinc/35/84/99/601358499.db2.gz RDBBSFPKVWHFRK-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832923944 601486142 /nfs/dbraw/zinc/48/61/42/601486142.db2.gz UXVNYTTUSYZUAW-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)/C=C/c2ccccc2)n1 ZINC000391009380 601772270 /nfs/dbraw/zinc/77/22/70/601772270.db2.gz KQRKZNYADWUMRH-MDZDMXLPSA-N -1 2 352.437 2.963 20 0 FFADLM Cn1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000833051758 601784724 /nfs/dbraw/zinc/78/47/24/601784724.db2.gz 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602156226 /nfs/dbraw/zinc/15/62/26/602156226.db2.gz LTHVQZGVSVAPPO-UHFFFAOYSA-N -1 2 368.436 2.964 20 0 FFADLM O=C([O-])N[C@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)Cc1ccccc1 ZINC000832113922 603476104 /nfs/dbraw/zinc/47/61/04/603476104.db2.gz NYEYELTWUJEOKH-LBPRGKRZSA-N -1 2 371.422 2.741 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cccc3ncccc32)n1 ZINC000833243442 604623366 /nfs/dbraw/zinc/62/33/66/604623366.db2.gz GIYZXTVERDAGSX-UHFFFAOYSA-N -1 2 363.420 2.509 20 0 FFADLM CC(C)(C)n1cc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000833452260 605124080 /nfs/dbraw/zinc/12/40/80/605124080.db2.gz SXCRZWPYWAQXSK-UHFFFAOYSA-N -1 2 363.439 2.555 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3scnc3c2)c1 ZINC000080716249 728331124 /nfs/dbraw/zinc/33/11/24/728331124.db2.gz JHDLACPSTXZQFU-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)ccc1F ZINC000193623691 729484970 /nfs/dbraw/zinc/48/49/70/729484970.db2.gz KBTYTXAEVZVPKC-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM 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ZINC000326287264 511855332 /nfs/dbraw/zinc/85/53/32/511855332.db2.gz FJISXYJGRONDQQ-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c(F)c1 ZINC000327433188 511875803 /nfs/dbraw/zinc/87/58/03/511875803.db2.gz LFEAOAFUHWWIEQ-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1C(C)C ZINC000421179765 513138183 /nfs/dbraw/zinc/13/81/83/513138183.db2.gz DOAVBXRJMSPHQT-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc(OC)c1C ZINC000431166672 513843497 /nfs/dbraw/zinc/84/34/97/513843497.db2.gz LHGLSIZKBZINHR-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993319 514067544 /nfs/dbraw/zinc/06/75/44/514067544.db2.gz AXXSZXFQFHQWHU-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)s1 ZINC000444420595 514224971 /nfs/dbraw/zinc/22/49/71/514224971.db2.gz FDADRQWLPHNUGX-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C)c1 ZINC000433491311 514504582 /nfs/dbraw/zinc/50/45/82/514504582.db2.gz NGRRJCIVRUJXLX-UHFFFAOYSA-N -1 2 351.380 2.598 20 0 FFADLM CCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000433609566 514529830 /nfs/dbraw/zinc/52/98/30/514529830.db2.gz UNHZDVLACUNGKZ-UHFFFAOYSA-N -1 2 351.355 2.917 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cc1F ZINC000484560081 514689838 /nfs/dbraw/zinc/68/98/38/514689838.db2.gz QJMZZAMTLTWFLL-UHFFFAOYSA-N -1 2 371.317 2.501 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1F ZINC000489747285 514959635 /nfs/dbraw/zinc/95/96/35/514959635.db2.gz YDHKMMBXVDGQST-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CCn1nccc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000471969553 515073116 /nfs/dbraw/zinc/07/31/16/515073116.db2.gz JMSMOJTUOBJTQC-UHFFFAOYSA-N -1 2 364.210 2.709 20 0 FFADLM O=C([O-])CCSCc1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000485800947 515193943 /nfs/dbraw/zinc/19/39/43/515193943.db2.gz WTKWDXJHGVBEAK-UHFFFAOYSA-N -1 2 356.407 2.918 20 0 FFADLM O=C(CCCC[NH+]1CCOCC1)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000481101748 515207123 /nfs/dbraw/zinc/20/71/23/515207123.db2.gz DCRQZFQERRVRFZ-UHFFFAOYSA-N -1 2 369.425 2.659 20 0 FFADLM COc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000504658732 515349501 /nfs/dbraw/zinc/34/95/01/515349501.db2.gz ZRGBMMSISUZSEI-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1)C(=O)[O-] ZINC000463782241 515613828 /nfs/dbraw/zinc/61/38/28/515613828.db2.gz KYKXKOGGQNUINO-AWEZNQCLSA-N -1 2 365.455 2.918 20 0 FFADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnn(C(F)F)c3)c1)CCCC2 ZINC000463782656 515613873 /nfs/dbraw/zinc/61/38/73/515613873.db2.gz QLKMENUFFHYXHU-UHFFFAOYSA-N -1 2 371.365 2.656 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000478677575 515921785 /nfs/dbraw/zinc/92/17/85/515921785.db2.gz RXGNJPHNWLWQCK-QMMMGPOBSA-N -1 2 355.441 2.859 20 0 FFADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)nc1 ZINC000506673822 515949048 /nfs/dbraw/zinc/94/90/48/515949048.db2.gz IPFJASUCZWPUDN-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000554432642 516435054 /nfs/dbraw/zinc/43/50/54/516435054.db2.gz NQILLHKBYZZXGI-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000548196879 516820290 /nfs/dbraw/zinc/82/02/90/516820290.db2.gz RUEJGEDKNJQGPA-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1[C@@H](C)C1CC1 ZINC000552029032 517037207 /nfs/dbraw/zinc/03/72/07/517037207.db2.gz QHOFDPWDRSYODJ-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM Cc1ccnc2c1cccc2S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000530382711 517742881 /nfs/dbraw/zinc/74/28/81/517742881.db2.gz MZKPVDYKIUEJJD-UHFFFAOYSA-N -1 2 358.375 2.748 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000543162907 517938654 /nfs/dbraw/zinc/93/86/54/517938654.db2.gz ZDEUTBCCNOJOFH-GFCCVEGCSA-N -1 2 363.439 2.970 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000563501706 517941478 /nfs/dbraw/zinc/94/14/78/517941478.db2.gz YWHXSRAJKMGQNV-UHFFFAOYSA-N -1 2 360.391 2.686 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000539398768 518026607 /nfs/dbraw/zinc/02/66/07/518026607.db2.gz CEPCAXXUINULLE-UHFFFAOYSA-N -1 2 365.407 2.564 20 0 FFADLM CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000584282277 518263428 /nfs/dbraw/zinc/26/34/28/518263428.db2.gz VRXLCDYQZYDBLJ-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000567862580 518755740 /nfs/dbraw/zinc/75/57/40/518755740.db2.gz KLUUYFBKOKULCI-ZETCQYMHSA-N -1 2 362.607 2.745 20 0 FFADLM CCc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1O ZINC000576775220 518756909 /nfs/dbraw/zinc/75/69/09/518756909.db2.gz ATLZHRYGUBCJMU-IBGZPJMESA-N -1 2 354.450 2.758 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)s[nH]1 ZINC000575312420 519582007 /nfs/dbraw/zinc/58/20/07/519582007.db2.gz QSICMCBYWWUJCX-WPRPVWTQSA-N -1 2 366.468 2.571 20 0 FFADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000614781914 521135020 /nfs/dbraw/zinc/13/50/20/521135020.db2.gz LHDPMBGXYFOYFH-UHFFFAOYSA-N -1 2 368.436 2.822 20 0 FFADLM COC(=O)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000611443979 521162737 /nfs/dbraw/zinc/16/27/37/521162737.db2.gz MMVMWXDVXSYFPN-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)cc1 ZINC000738690198 600055281 /nfs/dbraw/zinc/05/52/81/600055281.db2.gz SFZNTPWRRONZIX-UHFFFAOYSA-N -1 2 371.418 2.625 20 0 FFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000740144402 600094923 /nfs/dbraw/zinc/09/49/23/600094923.db2.gz NXHBPLRKGSFTLE-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)nc1 ZINC000020302134 600101754 /nfs/dbraw/zinc/10/17/54/600101754.db2.gz CATAXFSYEXFDLR-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cccc(Br)n2)c1C(=O)[O-] ZINC000738743389 600179181 /nfs/dbraw/zinc/17/91/81/600179181.db2.gz DPAGYIZNYQQVEI-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000736160786 600253670 /nfs/dbraw/zinc/25/36/70/600253670.db2.gz IKJAGQKBVVNETA-UHFFFAOYSA-N -1 2 372.399 2.653 20 0 FFADLM O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000740001880 600301661 /nfs/dbraw/zinc/30/16/61/600301661.db2.gz SFYIKNLYEZNHHZ-UHFFFAOYSA-N -1 2 360.313 2.672 20 0 FFADLM CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000738212226 600423275 /nfs/dbraw/zinc/42/32/75/600423275.db2.gz LRHGSRZVPZBZTR-UHFFFAOYSA-N -1 2 360.363 2.581 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000738689285 600576621 /nfs/dbraw/zinc/57/66/21/600576621.db2.gz IYOACWHOUHMTGE-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1C(=O)[O-] ZINC000833056112 600828595 /nfs/dbraw/zinc/82/85/95/600828595.db2.gz XSVRYEPHZRCOPZ-UHFFFAOYSA-N -1 2 371.827 2.787 20 0 FFADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000828869610 601501671 /nfs/dbraw/zinc/50/16/71/601501671.db2.gz BEPDLIKFARFYJI-UHFFFAOYSA-N -1 2 369.468 2.870 20 0 FFADLM CSc1ccncc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000832789618 601577526 /nfs/dbraw/zinc/57/75/26/601577526.db2.gz BCFNTSKRXLZPEX-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000833346086 601767892 /nfs/dbraw/zinc/76/78/92/601767892.db2.gz KCNIUOGHDFDDEF-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000833345717 601830722 /nfs/dbraw/zinc/83/07/22/601830722.db2.gz WDABYIKOBUCWJQ-UHFFFAOYSA-N -1 2 353.208 2.949 20 0 FFADLM CC[C@H](C)Oc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000828764464 601838004 /nfs/dbraw/zinc/83/80/04/601838004.db2.gz KEIGSNCKCPVACY-VIFPVBQESA-N -1 2 356.425 2.819 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000830421291 604014078 /nfs/dbraw/zinc/01/40/78/604014078.db2.gz OWKOYLYPNCUDET-UHFFFAOYSA-N -1 2 350.371 2.975 20 0 FFADLM CCC(=O)c1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000828580578 604806617 /nfs/dbraw/zinc/80/66/17/604806617.db2.gz OBKWOJDWIBETSH-UHFFFAOYSA-N -1 2 351.380 2.988 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccnc1Cl ZINC000861741586 730638138 /nfs/dbraw/zinc/63/81/38/730638138.db2.gz RXCNTVLNBBHPOG-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM C[NH+](C)Cc1csc(CNS(=O)(=O)c2cc3ccccc3s2)n1 ZINC000907410183 736623193 /nfs/dbraw/zinc/62/31/93/736623193.db2.gz BDQORKGBNLXRJW-UHFFFAOYSA-N -1 2 367.521 2.898 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769873169 737576916 /nfs/dbraw/zinc/57/69/16/737576916.db2.gz WPEAKKCLVDOXKK-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM COC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000392192797 845850936 /nfs/dbraw/zinc/85/09/36/845850936.db2.gz OPLATINMFDNPQG-UHFFFAOYSA-N -1 2 368.342 2.503 20 0 FFADLM CCc1ccccc1N1CC(=O)C(C(=O)NCc2cccc(C(=O)[O-])c2)=N1 ZINC001593642111 953654433 /nfs/dbraw/zinc/65/44/33/953654433.db2.gz YHDPBEZNFOPSPX-UHFFFAOYSA-N -1 2 365.389 2.769 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001346423157 962372998 /nfs/dbraw/zinc/37/29/98/962372998.db2.gz LUPISAHYGJXUAQ-UHFFFAOYSA-N -1 2 372.406 2.543 20 0 FFADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(C)cnc1C ZINC000404472689 973729215 /nfs/dbraw/zinc/72/92/15/973729215.db2.gz DXAGNDUQVATWAZ-UHFFFAOYSA-N -1 2 370.814 2.859 20 0 FFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC001597790422 989311133 /nfs/dbraw/zinc/31/11/33/989311133.db2.gz BIRVRPSUTMZGSW-UHFFFAOYSA-N -1 2 350.352 2.791 20 0 FFADLM CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)[nH]n1 ZINC001590461877 990031546 /nfs/dbraw/zinc/03/15/46/990031546.db2.gz MTVZSTQEXCXAFD-UHFFFAOYSA-N -1 2 357.819 2.860 20 0 FFADLM CC(C)Cc1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001591496977 992630876 /nfs/dbraw/zinc/63/08/76/992630876.db2.gz PIDNPGYPGKKYHP-UHFFFAOYSA-N -1 2 369.830 2.828 20 0 FFADLM COC(=O)c1sc(C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001599021351 998981814 /nfs/dbraw/zinc/98/18/14/998981814.db2.gz VYCVZQHWWYZRHW-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C(c1ccccc1)N1C[C@@H]2C[NH+](Cc3cc(F)c(O)cc3F)C[C@H]2C1 ZINC001144650726 1000188906 /nfs/dbraw/zinc/18/89/06/1000188906.db2.gz AKORKZKTJPCNFT-HOTGVXAUSA-N -1 2 358.388 2.874 20 0 FFADLM O=C(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(O)cc3F)C[C@@H]2C1 ZINC001144650729 1000189075 /nfs/dbraw/zinc/18/90/75/1000189075.db2.gz AKORKZKTJPCNFT-IYBDPMFKSA-N -1 2 358.388 2.874 20 0 FFADLM COc1nc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877598 1003112795 /nfs/dbraw/zinc/11/27/95/1003112795.db2.gz OVQRYEKSHLKODD-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn3ccnc3c2)c(Cl)cc1F ZINC001193975024 1004623580 /nfs/dbraw/zinc/62/35/80/1004623580.db2.gz RNJVQGMXNHEDOS-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oncc3c2)c(F)cc1F ZINC001195236226 1004913451 /nfs/dbraw/zinc/91/34/51/1004913451.db2.gz PBBVMNIGGCKNJN-UHFFFAOYSA-N -1 2 354.290 2.605 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ncc3ccccc3n2)c1 ZINC001187545371 1006135604 /nfs/dbraw/zinc/13/56/04/1006135604.db2.gz IZMAZNJYFSWQQM-UHFFFAOYSA-N -1 2 363.782 2.782 20 0 FFADLM Cc1[nH+]c2ccccn2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548380 1006138696 /nfs/dbraw/zinc/13/86/96/1006138696.db2.gz RFFBLXVJEYSKST-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2C(=O)OC3)c1 ZINC001187589956 1006145421 /nfs/dbraw/zinc/14/54/21/1006145421.db2.gz VZPVNWCQGJFTTM-UHFFFAOYSA-N -1 2 367.766 2.509 20 0 FFADLM Cc1nc2ccccn2c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276572 1006498101 /nfs/dbraw/zinc/49/81/01/1006498101.db2.gz HLWOIARBHZKSBP-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM CCOC(=O)c1occc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279612 1006499666 /nfs/dbraw/zinc/49/96/66/1006499666.db2.gz KKNNOJMVSJWXSG-UHFFFAOYSA-N -1 2 373.770 2.609 20 0 FFADLM Cc1cccc2ncc(C[N@H+]3CCC[C@H]3C(=O)NC(=O)OC(C)(C)C)n21 ZINC001137198633 1007052655 /nfs/dbraw/zinc/05/26/55/1007052655.db2.gz CSVWWXIIYOHFPN-HNNXBMFYSA-N -1 2 358.442 2.658 20 0 FFADLM O=C(c1[nH]c(=O)ccc1Cl)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001277010796 1034076450 /nfs/dbraw/zinc/07/64/50/1034076450.db2.gz OVYXQHPQGZVPFO-UHFFFAOYSA-N -1 2 363.767 2.683 20 0 FFADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259212272 1039805300 /nfs/dbraw/zinc/80/53/00/1039805300.db2.gz KLBQYTKPGBYENZ-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2-c2ccccc2F)c1 ZINC001260184504 1040445267 /nfs/dbraw/zinc/44/52/67/1040445267.db2.gz ODPWXQSOVXIQDF-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001260222128 1040473378 /nfs/dbraw/zinc/47/33/78/1040473378.db2.gz MNZGTFUBAMMQLY-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)ccc1O ZINC001260391746 1040574925 /nfs/dbraw/zinc/57/49/25/1040574925.db2.gz QVMOEXZTBSLETR-UHFFFAOYSA-N -1 2 368.754 2.686 20 0 FFADLM COc1nc(C)ncc1NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869494 1040860598 /nfs/dbraw/zinc/86/05/98/1040860598.db2.gz UPTOKBOKQREFLG-UHFFFAOYSA-N -1 2 364.210 2.607 20 0 FFADLM COCCOc1cccc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)c1 ZINC001237283943 1043092734 /nfs/dbraw/zinc/09/27/34/1043092734.db2.gz ORVMMZZKXXRZNF-UHFFFAOYSA-N -1 2 360.429 2.879 20 0 FFADLM Cc1cc(C(=O)Nc2cnc3c(F)cccc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001583972260 1079290763 /nfs/dbraw/zinc/29/07/63/1079290763.db2.gz VQGVVUCCKITXIH-UHFFFAOYSA-N -1 2 365.324 2.684 20 0 FFADLM CC(=Cc1cc(C(=O)[O-])c(C)cc1C)c1nc(C)c(-c2nn[nH]n2)c(=O)[nH]1 ZINC001588768546 1080186946 /nfs/dbraw/zinc/18/69/46/1080186946.db2.gz OTFJMPRSEUMBMW-UXBLZVDNSA-N -1 2 366.381 2.546 20 0 FFADLM CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001589696512 1080675521 /nfs/dbraw/zinc/67/55/21/1080675521.db2.gz BYPUXMSLJYJADZ-UHFFFAOYSA-N -1 2 362.407 2.809 20 0 FFADLM C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3Cl)c[nH+]2)CCO1 ZINC000278808712 256349926 /nfs/dbraw/zinc/34/99/26/256349926.db2.gz HZDDFUZCIQTBNE-LBPRGKRZSA-N -1 2 361.829 2.596 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c1C ZINC000281895113 256675507 /nfs/dbraw/zinc/67/55/07/256675507.db2.gz OZNHAOFTYKJNCG-UHFFFAOYSA-N -1 2 365.455 2.728 20 0 FFADLM CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000042794156 506669260 /nfs/dbraw/zinc/66/92/60/506669260.db2.gz CSOUKYHJZYOGOM-UHFFFAOYSA-N -1 2 368.436 2.904 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)s1 ZINC000013186525 506932813 /nfs/dbraw/zinc/93/28/13/506932813.db2.gz CKYMAJOSTHNABE-UHFFFAOYSA-N -1 2 369.420 2.717 20 0 FFADLM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000170551970 509672005 /nfs/dbraw/zinc/67/20/05/509672005.db2.gz KFZMVMHTONFKMA-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM COC(=O)c1sc2[nH]c(C[N@@H+](C)CCCOC(C)C)nc(=O)c2c1C ZINC000265898596 510288793 /nfs/dbraw/zinc/28/87/93/510288793.db2.gz UBUMOLYINAHQRD-UHFFFAOYSA-N -1 2 367.471 2.739 20 0 FFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)=N2)cc1 ZINC000263378687 510684372 /nfs/dbraw/zinc/68/43/72/510684372.db2.gz WXPOVQRMCCFXCI-UKRRQHHQSA-N -1 2 371.437 2.884 20 0 FFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185216909 510754208 /nfs/dbraw/zinc/75/42/08/510754208.db2.gz PRWFYOIEYZSJFO-UHFFFAOYSA-N -1 2 352.318 2.945 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000270441940 510810945 /nfs/dbraw/zinc/81/09/45/510810945.db2.gz RVSBRLHFHDDPPJ-UHFFFAOYSA-N -1 2 355.437 2.965 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc3c2N=S=N3)c1O ZINC000322702728 511825805 /nfs/dbraw/zinc/82/58/05/511825805.db2.gz QUWXNKIMYQMGJL-UHFFFAOYSA-N -1 2 351.365 2.618 20 0 FFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000364007428 511902271 /nfs/dbraw/zinc/90/22/71/511902271.db2.gz FGEPFAIDSGSWMS-UHFFFAOYSA-N -1 2 367.383 2.572 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000391598078 512916912 /nfs/dbraw/zinc/91/69/12/512916912.db2.gz BOWNBVNHWYJRLX-UHFFFAOYSA-N -1 2 350.396 2.676 20 0 FFADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)o1 ZINC000433803590 513153156 /nfs/dbraw/zinc/15/31/56/513153156.db2.gz VONIDZGDSNBZJW-UHFFFAOYSA-N -1 2 374.374 2.855 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000451073802 513499362 /nfs/dbraw/zinc/49/93/62/513499362.db2.gz SZVNMUJYGGOYQV-UHFFFAOYSA-N -1 2 364.423 2.905 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)s1 ZINC000436719446 513957146 /nfs/dbraw/zinc/95/71/46/513957146.db2.gz DACBSGOJQRHVJN-UHFFFAOYSA-N -1 2 356.425 2.527 20 0 FFADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000479531199 514619390 /nfs/dbraw/zinc/61/93/90/514619390.db2.gz WBAQJKZXGBXHJM-UHFFFAOYSA-N -1 2 365.455 2.833 20 0 FFADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 ZINC000504702929 515358988 /nfs/dbraw/zinc/35/89/88/515358988.db2.gz KVPFJSBESMUKGH-UHFFFAOYSA-N -1 2 357.334 2.619 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463527644 515536039 /nfs/dbraw/zinc/53/60/39/515536039.db2.gz PQCFZVAEDUDDHE-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1 ZINC000511351668 515873048 /nfs/dbraw/zinc/87/30/48/515873048.db2.gz RPJCPYGJMIIIBC-UHFFFAOYSA-N -1 2 374.374 2.606 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)ccc1C(=O)[O-] ZINC000506706317 515958800 /nfs/dbraw/zinc/95/88/00/515958800.db2.gz JVBUQXGLBQMYSD-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507586316 516254410 /nfs/dbraw/zinc/25/44/10/516254410.db2.gz WDYZKNYKACSEGR-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000512762173 516350727 /nfs/dbraw/zinc/35/07/27/516350727.db2.gz ORJZBQWFXRGTEW-UHFFFAOYSA-N -1 2 371.361 2.981 20 0 FFADLM CN(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000547547587 516400948 /nfs/dbraw/zinc/40/09/48/516400948.db2.gz LDSUMBGHYLYBHG-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000547552196 516403370 /nfs/dbraw/zinc/40/33/70/516403370.db2.gz DAKWISAXPLDHLM-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000547882064 516616566 /nfs/dbraw/zinc/61/65/66/516616566.db2.gz MUKAALOZLBJOHK-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)nn1-c1ccccc1 ZINC000538938393 517853164 /nfs/dbraw/zinc/85/31/64/517853164.db2.gz PKNLQLUDUODSBF-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1nn(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C(F)F ZINC000583552344 519307550 /nfs/dbraw/zinc/30/75/50/519307550.db2.gz ZWWNOMUASBLRNE-UHFFFAOYSA-N -1 2 373.381 2.782 20 0 FFADLM C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC000566224987 519379874 /nfs/dbraw/zinc/37/98/74/519379874.db2.gz NKAAQKZLLYDSKL-LURJTMIESA-N -1 2 350.596 2.601 20 0 FFADLM Cc1nc(NS(=O)(=O)c2cccc3cc(C)cnc32)sc1C(=O)[O-] ZINC000738332544 600054501 /nfs/dbraw/zinc/05/45/01/600054501.db2.gz SVTQCGIRECKFBD-UHFFFAOYSA-N -1 2 363.420 2.807 20 0 FFADLM Cc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000738363182 600054619 /nfs/dbraw/zinc/05/46/19/600054619.db2.gz FFSPOJCPODJPHN-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(F)cc1F ZINC000740090580 600424397 /nfs/dbraw/zinc/42/43/97/600424397.db2.gz YDTJMOYPYMYWHO-UHFFFAOYSA-N -1 2 360.363 2.798 20 0 FFADLM O=C([O-])CCCc1nnc(NC(=O)c2cc(-c3ccccc3)no2)s1 ZINC000739712366 600539121 /nfs/dbraw/zinc/53/91/21/600539121.db2.gz RNFVOIZPLKCMIC-UHFFFAOYSA-N -1 2 358.379 2.853 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cs1 ZINC000833306173 600977238 /nfs/dbraw/zinc/97/72/38/600977238.db2.gz BKAUXFUPPNVEEJ-UHFFFAOYSA-N -1 2 355.441 2.949 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c[nH]1 ZINC000833306199 600982031 /nfs/dbraw/zinc/98/20/31/600982031.db2.gz DKDIMWDXTDXZJS-UHFFFAOYSA-N -1 2 359.363 2.701 20 0 FFADLM O=C([O-])[C@H](NC(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000833168036 601281518 /nfs/dbraw/zinc/28/15/18/601281518.db2.gz SLARFZKYANPZHX-SSDOTTSWSA-N -1 2 358.085 2.591 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000323908056 601358154 /nfs/dbraw/zinc/35/81/54/601358154.db2.gz DZTGZSJQDQIRKY-UHFFFAOYSA-N -1 2 364.404 2.804 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000829440385 601502199 /nfs/dbraw/zinc/50/21/99/601502199.db2.gz JTQDRSFDYIVHNE-UHFFFAOYSA-N -1 2 355.441 2.688 20 0 FFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])[nH]n1 ZINC000832974987 601604629 /nfs/dbraw/zinc/60/46/29/601604629.db2.gz SHAOBDCMUFPOAS-UHFFFAOYSA-N -1 2 357.391 2.884 20 0 FFADLM CC(C)OCc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000827033442 601837502 /nfs/dbraw/zinc/83/75/02/601837502.db2.gz IBFMSYRKHSSNDI-UHFFFAOYSA-N -1 2 356.425 2.567 20 0 FFADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)[nH]n1 ZINC000829217032 601861686 /nfs/dbraw/zinc/86/16/86/601861686.db2.gz WKOJRNQPJKNBOO-VIFPVBQESA-N -1 2 353.400 2.518 20 0 FFADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)[nH]n1 ZINC000829216844 602102352 /nfs/dbraw/zinc/10/23/52/602102352.db2.gz TVXATBAKLSXFIJ-LLVKDONJSA-N -1 2 351.428 2.741 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c(C)c1 ZINC000832874102 602105019 /nfs/dbraw/zinc/10/50/19/602105019.db2.gz HBYDDDRBGWRYSH-UHFFFAOYSA-N -1 2 369.468 2.671 20 0 FFADLM CC(C)COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000826905424 602154848 /nfs/dbraw/zinc/15/48/48/602154848.db2.gz KCPTXZJMZMFSRO-UHFFFAOYSA-N -1 2 356.425 2.677 20 0 FFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000833348466 602320774 /nfs/dbraw/zinc/32/07/74/602320774.db2.gz VSUUYVLCYBQGAU-UHFFFAOYSA-N -1 2 363.363 2.891 20 0 FFADLM O=C([O-])Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccnc1 ZINC000740701779 602652655 /nfs/dbraw/zinc/65/26/55/602652655.db2.gz KSBPZEFMRUZRAW-UHFFFAOYSA-N -1 2 361.301 2.991 20 0 FFADLM Cn1c(=O)c2ccc(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc2[nH]c1=S ZINC000738403519 602964488 /nfs/dbraw/zinc/96/44/88/602964488.db2.gz NPBAVSHMKWMEQU-UHFFFAOYSA-N -1 2 371.374 2.531 20 0 FFADLM CN(CCCNC(=O)[O-])C(=O)c1cc(Cl)cc(Br)c1O ZINC000828301916 603839687 /nfs/dbraw/zinc/83/96/87/603839687.db2.gz JEHIAXSZUSJFFT-UHFFFAOYSA-N -1 2 365.611 2.538 20 0 FFADLM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1F)OCO2 ZINC000832829217 603889107 /nfs/dbraw/zinc/88/91/07/603889107.db2.gz PMLSLSZTILYCTJ-UHFFFAOYSA-N -1 2 372.305 2.584 20 0 FFADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833651796 604690091 /nfs/dbraw/zinc/69/00/91/604690091.db2.gz ADFSRSDBDCDREH-UHFFFAOYSA-N -1 2 354.359 2.509 20 0 FFADLM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)CC1CC1 ZINC000834069275 605971379 /nfs/dbraw/zinc/97/13/79/605971379.db2.gz QRQJYMXXKFTKCE-OAHLLOKOSA-N -1 2 369.425 2.525 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000048382954 728046362 /nfs/dbraw/zinc/04/63/62/728046362.db2.gz PYVUPXUEVSFQEX-UHFFFAOYSA-N -1 2 351.771 2.715 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 ZINC000325540590 729759090 /nfs/dbraw/zinc/75/90/90/729759090.db2.gz JDZQPXDVGGPFAX-UHFFFAOYSA-N -1 2 374.733 2.886 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)c(F)c(Cl)c1F ZINC000779837634 738488451 /nfs/dbraw/zinc/48/84/51/738488451.db2.gz PIQQPOACZUMNHN-UHFFFAOYSA-N -1 2 366.704 2.651 20 0 FFADLM Cc1ccncc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000650406553 730992913 /nfs/dbraw/zinc/99/29/13/730992913.db2.gz OUDFLNNGUWAURY-UHFFFAOYSA-N -1 2 350.396 2.676 20 0 FFADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1CC(C)C ZINC000677417408 733944357 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FFADLM Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594336029 958267954 /nfs/dbraw/zinc/26/79/54/958267954.db2.gz UPOKFLSPMGYNPV-UHFFFAOYSA-N -1 2 358.398 2.561 20 0 FFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000391607620 972350045 /nfs/dbraw/zinc/35/00/45/972350045.db2.gz VFJFPVJDVMJBBP-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM CCc1ccc(C[NH+]2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)s1 ZINC000654817734 958982574 /nfs/dbraw/zinc/98/25/74/958982574.db2.gz ZWJYGAFJZUFYMP-UHFFFAOYSA-N -1 2 372.494 2.642 20 0 FFADLM CC(C)c1sc(NS(=O)(=O)c2cccc(N(C)C)c2)nc1C(=O)[O-] ZINC001592117525 976921183 /nfs/dbraw/zinc/92/11/83/976921183.db2.gz RFAYABWJNPMDLW-UHFFFAOYSA-N -1 2 369.468 2.832 20 0 FFADLM CCCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001596074609 983388743 /nfs/dbraw/zinc/38/87/43/983388743.db2.gz DPFCSYPPHBTXHA-UHFFFAOYSA-N -1 2 356.425 2.603 20 0 FFADLM CC(C)CCn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591276194 992198182 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Cc1cn2cccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)c2n1 ZINC001188276585 1006498574 /nfs/dbraw/zinc/49/85/74/1006498574.db2.gz HRTBEDOKDQHFAR-UHFFFAOYSA-N -1 2 365.798 2.795 20 0 FFADLM Cc1c(O)ccc2c(C[N@@H+]3CCOc4ccccc4[C@@H]3CO)cc(=O)oc12 ZINC000933388538 1021004104 /nfs/dbraw/zinc/00/41/04/1021004104.db2.gz UFEYIBVPFUMNQC-KRWDZBQOSA-N -1 2 367.401 2.735 20 0 FFADLM CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234340715 1036992131 /nfs/dbraw/zinc/99/21/31/1036992131.db2.gz WGELDBXLWCPJCN-NSHDSACASA-N -1 2 354.242 2.514 20 0 FFADLM CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234340715 1036992143 /nfs/dbraw/zinc/99/21/43/1036992143.db2.gz WGELDBXLWCPJCN-NSHDSACASA-N -1 2 354.242 2.514 20 0 FFADLM C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)c(O)c(Br)c2)CCO1 ZINC001231746248 1037871417 /nfs/dbraw/zinc/87/14/17/1037871417.db2.gz QVQOXZRHYYEQQF-LLVKDONJSA-N -1 2 363.683 2.571 20 0 FFADLM Cc1cccc(-n2nccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184273 1040444362 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20 0 FFADLM Cc1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001464356175 1062566045 /nfs/dbraw/zinc/56/60/45/1062566045.db2.gz AOSPWHULBYCCCU-UHFFFAOYSA-N -1 2 353.378 2.790 20 0 FFADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000278219336 256288478 /nfs/dbraw/zinc/28/84/78/256288478.db2.gz WYXIQOQRTPTXLX-UHFFFAOYSA-N -1 2 371.484 2.895 20 0 FFADLM CCc1cc(=O)[nH]c(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC000286190888 257025084 /nfs/dbraw/zinc/02/50/84/257025084.db2.gz PRURBOWVIMXMLV-UHFFFAOYSA-N -1 2 362.474 2.720 20 0 FFADLM CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000290936108 257366009 /nfs/dbraw/zinc/36/60/09/257366009.db2.gz LHSZEQQLHWZOJX-GFCCVEGCSA-N -1 2 365.503 2.659 20 0 FFADLM COCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266823263 509211833 /nfs/dbraw/zinc/21/18/33/509211833.db2.gz ZZZLVBASIVNBHJ-UHFFFAOYSA-N -1 2 369.395 2.502 20 0 FFADLM Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000190397130 510107219 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ZINC000795385711 740014713 /nfs/dbraw/zinc/01/47/13/740014713.db2.gz CMSDJWBNDVALAS-MRVPVSSYSA-N -1 2 359.400 2.748 20 0 FFADLM O=C([O-])COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000322123578 970849565 /nfs/dbraw/zinc/84/95/65/970849565.db2.gz RSSFJIRVKVWIGL-UHFFFAOYSA-N -1 2 359.762 2.743 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593765092 954510393 /nfs/dbraw/zinc/51/03/93/954510393.db2.gz QUFCNIPMWRUSRE-UHFFFAOYSA-N -1 2 358.379 2.759 20 0 FFADLM O=C(c1cc(Cl)ccc1O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001271259043 972415528 /nfs/dbraw/zinc/41/55/28/972415528.db2.gz ZQSCSXNDDUFOSH-HOTGVXAUSA-N -1 2 373.840 2.635 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000396429404 972882091 /nfs/dbraw/zinc/88/20/91/972882091.db2.gz QPASDRHHCIBFOH-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM COc1ccccc1C[C@H](CNC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001599710954 991369707 /nfs/dbraw/zinc/36/97/07/991369707.db2.gz XRFKKZJDYCVBNE-GFCCVEGCSA-N -1 2 363.797 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Cc1cc(C(=O)Nc2ccccc2NC(C)C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001300947510 1050775696 /nfs/dbraw/zinc/77/56/96/1050775696.db2.gz KRRXJDTYDNHAQQ-UHFFFAOYSA-N -1 2 353.382 2.817 20 0 FFADLM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)nc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001304633139 1051659025 /nfs/dbraw/zinc/65/90/25/1051659025.db2.gz MPBPNTGUJOZBNA-UHFFFAOYSA-N -1 2 353.382 2.689 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001337616457 1054894096 /nfs/dbraw/zinc/89/40/96/1054894096.db2.gz BHKREHGTHWUSTP-STQMWFEESA-N -1 2 362.499 2.866 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001357473545 1055916616 /nfs/dbraw/zinc/91/66/16/1055916616.db2.gz GQLJGJQDTUWTDT-NWDGAFQWSA-N -1 2 367.885 2.768 20 0 FFADLM CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001561865749 1076436259 /nfs/dbraw/zinc/43/62/59/1076436259.db2.gz LREQGDGEKTUXDX-SNVBAGLBSA-N -1 2 356.797 2.731 20 0 FFADLM C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)sc2C1 ZINC001590284571 1081139701 /nfs/dbraw/zinc/13/97/01/1081139701.db2.gz ZFBXCRYETKTVHU-SNVBAGLBSA-N -1 2 358.446 2.877 20 0 FFADLM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001590284159 1081139908 /nfs/dbraw/zinc/13/99/08/1081139908.db2.gz WVYGLXQJKAJSSW-RFAUZJTJSA-N -1 2 372.816 2.653 20 0 FFADLM O=c1[nH]c(C[NH+]2CCC(CCCO)CC2)nc2c1cnn2-c1ccccc1 ZINC000272862717 252150877 /nfs/dbraw/zinc/15/08/77/252150877.db2.gz SIYBBCNTDIWPDF-UHFFFAOYSA-N -1 2 367.453 2.506 20 0 FFADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000048382732 507513280 /nfs/dbraw/zinc/51/32/80/507513280.db2.gz BXXFNINKTPRLFX-UHFFFAOYSA-N -1 2 365.407 2.901 20 0 FFADLM Cc1n[nH]c2cc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc12 ZINC000093909148 508160227 /nfs/dbraw/zinc/16/02/27/508160227.db2.gz CSJJWKIDGGWODQ-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)ccc12 ZINC000093909148 508160230 /nfs/dbraw/zinc/16/02/30/508160230.db2.gz CSJJWKIDGGWODQ-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM C[N@@H+](CCNS(=O)(=O)c1cc(F)c(F)cc1F)Cc1ccccc1 ZINC000105618943 508378876 /nfs/dbraw/zinc/37/88/76/508378876.db2.gz QELVBLFBFNEQGF-UHFFFAOYSA-N -1 2 358.385 2.514 20 0 FFADLM COc1ccsc1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000154888550 508876426 /nfs/dbraw/zinc/87/64/26/508876426.db2.gz ZCIIQXWXRSGVBQ-OAHLLOKOSA-N -1 2 366.508 2.700 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2sc(C)nc2C)cc1C(=O)[O-] ZINC000267524006 509527764 /nfs/dbraw/zinc/52/77/64/509527764.db2.gz HDMBZJYMZBCOHX-UHFFFAOYSA-N -1 2 356.425 2.658 20 0 FFADLM O=C([O-])c1cc(N2CCCC2)ccc1NS(=O)(=O)c1cccs1 ZINC000180119219 509761463 /nfs/dbraw/zinc/76/14/63/509761463.db2.gz SMAYIAYGVYZZRZ-UHFFFAOYSA-N -1 2 352.437 2.847 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)sc1C(=O)[O-] ZINC000187735039 510409216 /nfs/dbraw/zinc/40/92/16/510409216.db2.gz OIRMUOXFJIANFM-SECBINFHSA-N -1 2 355.441 2.723 20 0 FFADLM CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(O)ccc3Br)[C@H]2C1 ZINC000246810874 510688634 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CN(C(=O)c1cccc(Br)c1O)c1nc(CC(=O)[O-])cs1 ZINC000737340485 600235323 /nfs/dbraw/zinc/23/53/23/600235323.db2.gz KAFMXSUIYNYCAM-UHFFFAOYSA-N -1 2 371.212 2.515 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C(=O)[O-])[nH]1 ZINC000738463249 600255758 /nfs/dbraw/zinc/25/57/58/600255758.db2.gz HPSBZOVQQWXZTB-UHFFFAOYSA-N -1 2 366.292 2.980 20 0 FFADLM CCN(c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1)C(C)C ZINC000829740398 601768122 /nfs/dbraw/zinc/76/81/22/601768122.db2.gz HSEZHWYVQRZFQB-UHFFFAOYSA-N -1 2 369.468 2.877 20 0 FFADLM CC(=O)c1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000325340865 601772079 /nfs/dbraw/zinc/77/20/79/601772079.db2.gz JZFCRCJXWPZJGR-UHFFFAOYSA-N -1 2 368.436 2.554 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000833345281 601831765 /nfs/dbraw/zinc/83/17/65/601831765.db2.gz PISTZWACVWTQQE-UHFFFAOYSA-N -1 2 352.315 2.661 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c1C(=O)[O-] ZINC000832972456 602101836 /nfs/dbraw/zinc/10/18/36/602101836.db2.gz CPDFYHZLSBLDOP-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)c1C ZINC000832868082 602306936 /nfs/dbraw/zinc/30/69/36/602306936.db2.gz CRDZIILPJBODCR-UHFFFAOYSA-N -1 2 351.428 2.724 20 0 FFADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000739785798 602652249 /nfs/dbraw/zinc/65/22/49/602652249.db2.gz WZUKOXODZIPMDG-UHFFFAOYSA-N -1 2 368.342 2.503 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1OC ZINC000739867872 602653101 /nfs/dbraw/zinc/65/31/01/602653101.db2.gz VOAHFGKREAGESD-UHFFFAOYSA-N -1 2 370.358 2.734 20 0 FFADLM O=C([O-])N1CCc2c1cccc2NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000832080274 604015378 /nfs/dbraw/zinc/01/53/78/604015378.db2.gz UYCAVVCOZLNONG-UHFFFAOYSA-N -1 2 372.324 2.945 20 0 FFADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832854526 604625178 /nfs/dbraw/zinc/62/51/78/604625178.db2.gz LHSZWNMBDBFJOH-UHFFFAOYSA-N -1 2 360.844 2.923 20 0 FFADLM CC(=O)c1cccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC000833404061 604757949 /nfs/dbraw/zinc/75/79/49/604757949.db2.gz VOUSWUILYAHQJZ-UHFFFAOYSA-N -1 2 366.420 2.722 20 0 FFADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(CC)c(C(=O)[O-])s2)c1 ZINC000833636260 604990731 /nfs/dbraw/zinc/99/07/31/604990731.db2.gz MULACGLFIZTQLM-UHFFFAOYSA-N -1 2 368.436 2.797 20 0 FFADLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC000833451477 605585512 /nfs/dbraw/zinc/58/55/12/605585512.db2.gz VNCCBLPNHXWOIW-UHFFFAOYSA-N -1 2 359.791 2.520 20 0 FFADLM O=C(CCc1ccc(-c2nn[nH]n2)cc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000822978764 606311536 /nfs/dbraw/zinc/31/15/36/606311536.db2.gz PWHBTJBFZKHENI-UHFFFAOYSA-N -1 2 374.404 2.728 20 0 FFADLM CC(C)[C@@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(=O)[O-] ZINC000653542217 731271603 /nfs/dbraw/zinc/27/16/03/731271603.db2.gz KESAXTAZTVVNLG-LLVKDONJSA-N -1 2 368.846 2.759 20 0 FFADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1CC(C)C ZINC000677417921 733944255 /nfs/dbraw/zinc/94/42/55/733944255.db2.gz YSHDONNOJNOVNF-UHFFFAOYSA-N -1 2 371.484 2.970 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000677847349 733969082 /nfs/dbraw/zinc/96/90/82/733969082.db2.gz CMZAYSQWJQRBRA-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])c1C ZINC000681561753 734004665 /nfs/dbraw/zinc/00/46/65/734004665.db2.gz MEWXLMRIBCABCW-UHFFFAOYSA-N -1 2 371.846 2.981 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000753768328 736092838 /nfs/dbraw/zinc/09/28/38/736092838.db2.gz FBULVVADCNHNNI-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Cl)nc2C)c1 ZINC000788495254 739250570 /nfs/dbraw/zinc/25/05/70/739250570.db2.gz BSRMDDDXWDCFNK-UHFFFAOYSA-N -1 2 356.787 2.556 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc1C(=O)[O-] ZINC000794874904 739938412 /nfs/dbraw/zinc/93/84/12/739938412.db2.gz KVXVJMGWRJEYGL-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM CCOC(=O)c1ccsc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000391729341 845848077 /nfs/dbraw/zinc/84/80/77/845848077.db2.gz BGPVIQSUOGALOA-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000392680008 845854489 /nfs/dbraw/zinc/85/44/89/845854489.db2.gz OURURTMBVZDCNT-UHFFFAOYSA-N -1 2 367.251 2.881 20 0 FFADLM O=C([O-])c1ccccc1CNC(=O)c1cc(Br)c(F)cc1O ZINC001594771979 953568153 /nfs/dbraw/zinc/56/81/53/953568153.db2.gz KRSJHTCPZWMEIB-UHFFFAOYSA-N -1 2 368.158 2.922 20 0 FFADLM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001594390824 958715774 /nfs/dbraw/zinc/71/57/74/958715774.db2.gz GAAXYQAAJUSGRN-UHFFFAOYSA-N -1 2 370.283 2.717 20 0 FFADLM O=C([O-])C1CCC(Nc2cc(NC3CCC(C(=O)[O-])CC3)[nH+]cn2)CC1 ZINC000662880279 974465672 /nfs/dbraw/zinc/46/56/72/974465672.db2.gz VUSFMJSZKIEZFR-UHFFFAOYSA-N -1 2 362.430 2.587 20 0 FFADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000253599654 980023388 /nfs/dbraw/zinc/02/33/88/980023388.db2.gz XIJSDTWIHZGQPK-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CCCc1csc(NS(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)n1 ZINC001596074735 983390021 /nfs/dbraw/zinc/39/00/21/983390021.db2.gz KHHJJBLXISGOQD-UHFFFAOYSA-N -1 2 370.452 2.741 20 0 FFADLM CCc1ccccc1N1CC(=O)C(C(=O)NCc2ccc(C(=O)[O-])s2)=N1 ZINC001597604842 988484183 /nfs/dbraw/zinc/48/41/83/988484183.db2.gz SSMWTUTUWTYGAS-UHFFFAOYSA-N -1 2 371.418 2.830 20 0 FFADLM CCc1ncc(NS(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cn1 ZINC001597702378 988928203 /nfs/dbraw/zinc/92/82/03/988928203.db2.gz FVIXBQNXUWKTDO-UHFFFAOYSA-N -1 2 361.832 2.561 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001597717507 988986094 /nfs/dbraw/zinc/98/60/94/988986094.db2.gz DDONYFIMHVYRRL-LLVKDONJSA-N -1 2 365.455 2.534 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC001590362829 989817413 /nfs/dbraw/zinc/81/74/13/989817413.db2.gz IPQXFUDVQIWTTH-UHFFFAOYSA-N -1 2 365.773 2.969 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001590362829 989817427 /nfs/dbraw/zinc/81/74/27/989817427.db2.gz IPQXFUDVQIWTTH-UHFFFAOYSA-N -1 2 365.773 2.969 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1C ZINC001597943476 989922601 /nfs/dbraw/zinc/92/26/01/989922601.db2.gz WMTKGTGIFFOTFU-SNVBAGLBSA-N -1 2 351.428 2.509 20 0 FFADLM COc1cncc(S(=O)(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599727093 991646914 /nfs/dbraw/zinc/64/69/14/991646914.db2.gz HOIAUWLLHIAEMY-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599682580 995006236 /nfs/dbraw/zinc/00/62/36/995006236.db2.gz QOPBVRSJUUASED-NSHDSACASA-N -1 2 365.407 2.693 20 0 FFADLM C[C@@H]1CCc2nc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C1 ZINC001594450110 999646473 /nfs/dbraw/zinc/64/64/73/999646473.db2.gz BMDGMXZKGRUMDF-MRVPVSSYSA-N -1 2 370.427 2.906 20 0 FFADLM C[C@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC001594451028 999649438 /nfs/dbraw/zinc/64/94/38/999649438.db2.gz SJDOUZWSSRDTRU-JTQLQIEISA-N -1 2 366.464 2.696 20 0 FFADLM O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3cc(F)c(O)cc3F)C[C@@H]2C1 ZINC001144654139 1000189639 /nfs/dbraw/zinc/18/96/39/1000189639.db2.gz AEKHHUMUOVUCOD-OKILXGFUSA-N -1 2 364.417 2.936 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC3)c(Cl)cc1F ZINC001194010985 1004629839 /nfs/dbraw/zinc/62/98/39/1004629839.db2.gz QJSVESFXHPWLHD-UHFFFAOYSA-N -1 2 371.773 2.913 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC001198730672 1004714199 /nfs/dbraw/zinc/71/41/99/1004714199.db2.gz VQSUUPXYLOLCJG-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM Cc1cc(Br)nc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198740472 1004718503 /nfs/dbraw/zinc/71/85/03/1004718503.db2.gz HFHYTFPKWKHOGG-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM COc1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187540541 1006132131 /nfs/dbraw/zinc/13/21/31/1006132131.db2.gz WQWLPKRPXLORDN-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM Cn1cnc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c21 ZINC001187582322 1006163388 /nfs/dbraw/zinc/16/33/88/1006163388.db2.gz SKVOAOPREDCYAQ-UHFFFAOYSA-N -1 2 365.798 2.726 20 0 FFADLM CCc1cc(=O)[nH]c(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000839151883 1026607406 /nfs/dbraw/zinc/60/74/06/1026607406.db2.gz FGKUDXZJUAYLHE-LJQANCHMSA-N -1 2 363.408 2.968 20 0 FFADLM CCO[C@@H]1C[N@H+](Cc2cccc(O)c2Br)[C@@H]2CCCO[C@H]12 ZINC001140549162 1035610414 /nfs/dbraw/zinc/61/04/14/1035610414.db2.gz FIPWUQVLYBQQNM-XPKDYRNWSA-N -1 2 356.260 2.923 20 0 FFADLM O=C1CC(c2ccc(F)c(F)c2)=NN1c1ccccc1S(=O)(=O)[O-] ZINC001245946287 1039155578 /nfs/dbraw/zinc/15/55/78/1039155578.db2.gz VPBHIGHFPYXOIW-UHFFFAOYSA-N -1 2 352.318 2.770 20 0 FFADLM O=c1cc(-c2ccc(F)c(F)c2)[nH]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245946287 1039155588 /nfs/dbraw/zinc/15/55/88/1039155588.db2.gz VPBHIGHFPYXOIW-UHFFFAOYSA-N -1 2 352.318 2.770 20 0 FFADLM O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1cnn(-c2ccccc2)n1 ZINC001251585935 1039191661 /nfs/dbraw/zinc/19/16/61/1039191661.db2.gz KLMREBOSKWZGSD-UHFFFAOYSA-N -1 2 365.784 2.958 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001260215902 1040467154 /nfs/dbraw/zinc/46/71/54/1040467154.db2.gz GNNZHFHDUIOXKV-HNNXBMFYSA-N -1 2 365.382 2.694 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001263370520 1042267721 /nfs/dbraw/zinc/26/77/21/1042267721.db2.gz BDXIZKCAQVPEGR-QJPTWQEYSA-N -1 2 367.885 2.624 20 0 FFADLM Cc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)n1 ZINC001308112126 1052409609 /nfs/dbraw/zinc/40/96/09/1052409609.db2.gz ZXZBUGSRQAQNBZ-KUHUBIRLSA-N -1 2 362.474 2.760 20 0 FFADLM CCC[C@H]1CCCN1c1nnc(-c2n[nH]c(Cl)n2)n1C[C@@H]1CCOC1 ZINC001345668825 1052567719 /nfs/dbraw/zinc/56/77/19/1052567719.db2.gz PCKIMIPAIDNXGA-RYUDHWBXSA-N -1 2 365.869 2.522 20 0 FFADLM O=C([O-])[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1Br ZINC001601665026 1058177147 /nfs/dbraw/zinc/17/71/47/1058177147.db2.gz SBXATERGUSHYAY-SFYZADRCSA-N -1 2 358.085 2.591 20 0 FFADLM O=C([O-])[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1Br ZINC001601665026 1058177153 /nfs/dbraw/zinc/17/71/53/1058177153.db2.gz SBXATERGUSHYAY-SFYZADRCSA-N -1 2 358.085 2.591 20 0 FFADLM Cc1cc(C(=O)Nc2ccccc2-c2ncco2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001585188248 1079436397 /nfs/dbraw/zinc/43/63/97/1079436397.db2.gz HUHAUCRMLIVVOF-UHFFFAOYSA-N -1 2 363.333 2.652 20 0 FFADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC001556541871 1075751846 /nfs/dbraw/zinc/75/18/46/1075751846.db2.gz LAADHRFOOUNIFC-UHFFFAOYSA-N -1 2 353.363 2.860 20 0 FFADLM CCC(CC)(CNC(=O)c1cc(Br)c(F)cc1O)C(=O)[O-] ZINC001589498099 1080564603 /nfs/dbraw/zinc/56/46/03/1080564603.db2.gz QDOHLYRYZLXIJP-UHFFFAOYSA-N -1 2 362.195 2.915 20 0 FFADLM C[C@H](C(=O)[O-])c1cccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC001589539579 1080592206 /nfs/dbraw/zinc/59/22/06/1080592206.db2.gz JECQFLIWUSJOCJ-NSHDSACASA-N -1 2 365.455 2.707 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000272425991 252036658 /nfs/dbraw/zinc/03/66/58/252036658.db2.gz OZNAFBGOKQGTRA-UHFFFAOYSA-N -1 2 359.354 2.772 20 0 FFADLM Cc1ccc2ncc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c(O)c2c1 ZINC000273298850 252275390 /nfs/dbraw/zinc/27/53/90/252275390.db2.gz UKYISCAJUODCJT-UHFFFAOYSA-N -1 2 362.433 2.602 20 0 FFADLM Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc(F)cc(Cl)c1)CCC2 ZINC000371056544 512197818 /nfs/dbraw/zinc/19/78/18/512197818.db2.gz SUJSCJHEKWRFLT-NSHDSACASA-N -1 2 357.838 2.840 20 0 FFADLM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000063443741 507730364 /nfs/dbraw/zinc/73/03/64/507730364.db2.gz YPKGMDOPFNZWJW-UHFFFAOYSA-N -1 2 374.827 2.859 20 0 FFADLM CC[N@H+](Cc1ccoc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000102409229 508274277 /nfs/dbraw/zinc/27/42/77/508274277.db2.gz ZCKUTZROTRMYNS-UHFFFAOYSA-N -1 2 361.423 2.695 20 0 FFADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)c2C)o1 ZINC000135405683 508599941 /nfs/dbraw/zinc/59/99/41/508599941.db2.gz BYQVIKYLEYMOSE-UHFFFAOYSA-N -1 2 365.367 2.687 20 0 FFADLM CCn1nc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1C1CC1 ZINC000267338454 509453335 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CCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(C)n1 ZINC001596057976 983364134 /nfs/dbraw/zinc/36/41/34/983364134.db2.gz BBZSLDATWSZOQL-UHFFFAOYSA-N -1 2 357.819 2.525 20 0 FFADLM CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001596720095 984960748 /nfs/dbraw/zinc/96/07/48/984960748.db2.gz ALHOOYYAUQFTFA-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCCOP(=O)([O-])[O-])c12 ZINC001168591309 985679061 /nfs/dbraw/zinc/67/90/61/985679061.db2.gz OPYSDBWWLCDIGH-UHFFFAOYSA-N -1 2 354.347 2.684 20 0 FFADLM CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2nc3c(c(=O)[nH]2)COCC3)CO1 ZINC000878888635 1015270798 /nfs/dbraw/zinc/27/07/98/1015270798.db2.gz REVFKYWSJXIELY-MRXNPFEDSA-N -1 2 369.465 2.825 20 0 FFADLM CCc1cc(=NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2[nH]1 ZINC001597482268 987977142 /nfs/dbraw/zinc/97/71/42/987977142.db2.gz BUJGOVBUJCRRRR-UHFFFAOYSA-N -1 2 374.393 2.857 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001597562946 988313269 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Cc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1C(=O)[O-] ZINC001184668666 1002681024 /nfs/dbraw/zinc/68/10/24/1002681024.db2.gz WPTBXFQPVPHIHX-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000794332723 1003609990 /nfs/dbraw/zinc/60/99/90/1003609990.db2.gz XPOLPYUAPHGXLZ-JQWIXIFHSA-N -1 2 360.414 2.574 20 0 FFADLM CC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236169 1004913758 /nfs/dbraw/zinc/91/37/58/1004913758.db2.gz MBKVBRMRUBKNQC-UHFFFAOYSA-N -1 2 373.308 2.806 20 0 FFADLM COC(=O)C[C@@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@H]1C ZINC000932107831 1020709035 /nfs/dbraw/zinc/70/90/35/1020709035.db2.gz WGJXFLQBDIEEPS-VXGBXAGGSA-N -1 2 355.394 2.713 20 0 FFADLM O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1F)C2 ZINC001277057258 1034327934 /nfs/dbraw/zinc/32/79/34/1034327934.db2.gz PWLDGLFUHDYBSS-INIZCTEOSA-N -1 2 362.779 2.874 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1c(F)ccc(O)c1F)C2 ZINC001233395039 1036596689 /nfs/dbraw/zinc/59/66/89/1036596689.db2.gz JXCFFQQIOLPIMX-FOIQADDNSA-N -1 2 373.403 2.594 20 0 FFADLM C[C@H]1[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335886 1036990202 /nfs/dbraw/zinc/99/02/02/1036990202.db2.gz NJIRAAUCCAIVMY-GWCFXTLKSA-N -1 2 359.315 2.545 20 0 FFADLM C[C@H]1[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335886 1036990218 /nfs/dbraw/zinc/99/02/18/1036990218.db2.gz NJIRAAUCCAIVMY-GWCFXTLKSA-N -1 2 359.315 2.545 20 0 FFADLM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234333556 1036990912 /nfs/dbraw/zinc/99/09/12/1036990912.db2.gz XCJHNFQZHAHILL-CQSZACIVSA-N -1 2 371.326 2.712 20 0 FFADLM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234333556 1036990922 /nfs/dbraw/zinc/99/09/22/1036990922.db2.gz XCJHNFQZHAHILL-CQSZACIVSA-N -1 2 371.326 2.712 20 0 FFADLM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213372 1039807287 /nfs/dbraw/zinc/80/72/87/1039807287.db2.gz PGVQJVMRLDNVNP-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM Cc1noc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc12 ZINC001260215755 1040466505 /nfs/dbraw/zinc/46/65/05/1040466505.db2.gz XHUCNSQGIPEEIP-UHFFFAOYSA-N -1 2 350.327 2.774 20 0 FFADLM COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1=O ZINC001238145673 1043566573 /nfs/dbraw/zinc/56/65/73/1043566573.db2.gz MADSRGBIGGYHRJ-GOSISDBHSA-N -1 2 370.852 2.646 20 0 FFADLM CCOCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC001339749132 1050170648 /nfs/dbraw/zinc/17/06/48/1050170648.db2.gz YHENYBZZPXTUOX-UHFFFAOYSA-N -1 2 353.371 2.861 20 0 FFADLM O=C([O-])[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1Br ZINC001601663904 1058175384 /nfs/dbraw/zinc/17/53/84/1058175384.db2.gz DBRQXUUIHLXOSQ-ZETCQYMHSA-N -1 2 358.085 2.591 20 0 FFADLM O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(F)c1O ZINC001457565513 1060404728 /nfs/dbraw/zinc/40/47/28/1060404728.db2.gz RKBTVAICSNEHEM-UHFFFAOYSA-N -1 2 350.434 2.544 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)cc1C(=O)[O-] ZINC000373087143 512166124 /nfs/dbraw/zinc/16/61/24/512166124.db2.gz ICBDVNHIHCMMMM-UHFFFAOYSA-N -1 2 372.406 2.588 20 0 FFADLM CC(C)Oc1c(NS(=O)(=O)c2cncc(F)c2)cccc1C(=O)[O-] ZINC000410400032 512253853 /nfs/dbraw/zinc/25/38/53/512253853.db2.gz YCFFEZOLSSARTR-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C(=O)[O-] ZINC000066290372 506471208 /nfs/dbraw/zinc/47/12/08/506471208.db2.gz BVTQOXZMCCZMNR-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000068077350 507101693 /nfs/dbraw/zinc/10/16/93/507101693.db2.gz LZRXIOTVKGDRPE-UHFFFAOYSA-N -1 2 354.409 2.514 20 0 FFADLM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)no1 ZINC000063849573 507775721 /nfs/dbraw/zinc/77/57/21/507775721.db2.gz BVBYAOIJKZXZRL-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cs1 ZINC000086170991 508320911 /nfs/dbraw/zinc/32/09/11/508320911.db2.gz WZJAQBMQXYVXED-UHFFFAOYSA-N -1 2 355.422 2.699 20 0 FFADLM C[N@H+]1CC[C@H](NS(=O)(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188788068 509263699 /nfs/dbraw/zinc/26/36/99/509263699.db2.gz VPYJWGDZMQJJIX-ZFWWWQNUSA-N -1 2 358.822 2.796 20 0 FFADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C(=O)[O-])c2ccccc2)=N1 ZINC000237660751 509704955 /nfs/dbraw/zinc/70/49/55/509704955.db2.gz BEGKTQKIUMTYPY-INIZCTEOSA-N -1 2 369.352 2.581 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000181675392 510534647 /nfs/dbraw/zinc/53/46/47/510534647.db2.gz CBRIGTPLFBMWPF-UHFFFAOYSA-N -1 2 365.455 2.963 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc(C(=O)[O-])c1Cl ZINC000284981997 511956107 /nfs/dbraw/zinc/95/61/07/511956107.db2.gz FQUFKWHKVWJDIG-UHFFFAOYSA-N -1 2 369.830 2.680 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)[nH]n2)o1 ZINC000446632086 513300471 /nfs/dbraw/zinc/30/04/71/513300471.db2.gz RTMWBSHEFGUYLT-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)n[nH]2)o1 ZINC000446632086 513300475 /nfs/dbraw/zinc/30/04/75/513300475.db2.gz RTMWBSHEFGUYLT-UHFFFAOYSA-N -1 2 361.379 2.786 20 0 FFADLM O=C(c1c(O)cnc2ccc(Cl)cc21)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425317035 513506841 /nfs/dbraw/zinc/50/68/41/513506841.db2.gz FCOJCEHJSISLOC-UHFFFAOYSA-N -1 2 374.784 2.702 20 0 FFADLM C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(O)ccc1Br)C[C@@H](C)O2 ZINC000448362341 513743881 /nfs/dbraw/zinc/74/38/81/513743881.db2.gz LVOGKGODBXBPFW-XHBSWPGZSA-N -1 2 356.260 2.923 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000436476335 513865048 /nfs/dbraw/zinc/86/50/48/513865048.db2.gz DVDOYDKZQAOBEG-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s[nH]1 ZINC000424385959 514468204 /nfs/dbraw/zinc/46/82/04/514468204.db2.gz GZBIZNYXFRRANO-JTQLQIEISA-N -1 2 368.484 2.865 20 0 FFADLM CC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433499085 514504923 /nfs/dbraw/zinc/50/49/23/514504923.db2.gz BKXUVFLBYKFFND-UHFFFAOYSA-N -1 2 351.380 2.678 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000479508694 514611323 /nfs/dbraw/zinc/61/13/23/514611323.db2.gz CWCASPKTEDEXKE-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)ccc1C(=O)[O-] ZINC000507961994 514625411 /nfs/dbraw/zinc/62/54/11/514625411.db2.gz ALZFCBFDUVMQHI-UHFFFAOYSA-N -1 2 357.391 2.884 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)sc1C ZINC000484577687 514699464 /nfs/dbraw/zinc/69/94/64/514699464.db2.gz RUANVNLHCOBHCX-UHFFFAOYSA-N -1 2 355.393 2.593 20 0 FFADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cncc(F)c1 ZINC000484983357 514864733 /nfs/dbraw/zinc/86/47/33/514864733.db2.gz AVCBJKLFRNPKJY-UHFFFAOYSA-N -1 2 354.359 2.509 20 0 FFADLM CC(C)Oc1ncccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485270129 514980006 /nfs/dbraw/zinc/98/00/06/514980006.db2.gz UJEFFJXXWGJZMS-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cn2)C[C@H](C)O1 ZINC000509917741 515368636 /nfs/dbraw/zinc/36/86/36/515368636.db2.gz VOYCBRFOWHTWDD-BETUJISGSA-N -1 2 363.408 2.969 20 0 FFADLM O=C(CC1CCCCC1)N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459317519 515466182 /nfs/dbraw/zinc/46/61/82/515466182.db2.gz BHLHPRVQKXIGID-UHFFFAOYSA-N -1 2 358.486 2.674 20 0 FFADLM C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(O)c2Br)C[C@H](C)O1 ZINC000459381789 515513796 /nfs/dbraw/zinc/51/37/96/515513796.db2.gz DRTSMSZCXAVTTI-BETUJISGSA-N -1 2 357.292 2.744 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1OC(F)F ZINC000481969636 515532070 /nfs/dbraw/zinc/53/20/70/515532070.db2.gz OJIAUMHNZWDUOW-UHFFFAOYSA-N -1 2 361.322 2.997 20 0 FFADLM COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)[O-] ZINC000478683430 515924105 /nfs/dbraw/zinc/92/41/05/515924105.db2.gz YIVACLFKFFCGKU-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(NS(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])cc1OC ZINC000548199280 516823230 /nfs/dbraw/zinc/82/32/30/516823230.db2.gz ORWNHSNBYPMALB-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000541303700 516976582 /nfs/dbraw/zinc/97/65/82/516976582.db2.gz DGEZJAFUEOPHKJ-GFCCVEGCSA-N -1 2 363.439 2.590 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000548540094 517043666 /nfs/dbraw/zinc/04/36/66/517043666.db2.gz YITXDOGORSNEFN-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM CCn1cncc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000548545582 517045819 /nfs/dbraw/zinc/04/58/19/517045819.db2.gz ZXAIDKQRCMDWSK-UHFFFAOYSA-N -1 2 369.468 2.579 20 0 FFADLM Cc1ncc(S(=O)(=O)[N-]c2ccc([NH+]3CCCC3)cc2C(=O)[O-])s1 ZINC000541802610 517222551 /nfs/dbraw/zinc/22/25/51/517222551.db2.gz KZYJPKVKAFUMGN-UHFFFAOYSA-N -1 2 367.452 2.551 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000541805582 517224326 /nfs/dbraw/zinc/22/43/26/517224326.db2.gz YCFFZTTYHSVJHV-UHFFFAOYSA-N -1 2 363.317 2.602 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000521527177 517764240 /nfs/dbraw/zinc/76/42/40/517764240.db2.gz GTXWXMKWFOBLSA-UHFFFAOYSA-N -1 2 351.409 2.740 20 0 FFADLM Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccnc3C(F)(F)F)cn2c1 ZINC000553799311 517912477 /nfs/dbraw/zinc/91/24/77/517912477.db2.gz PMGCEJGRFHBISC-UHFFFAOYSA-N -1 2 370.356 2.535 20 0 FFADLM O=C(Nc1cc(F)ccc1O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000550201810 517925028 /nfs/dbraw/zinc/92/50/28/517925028.db2.gz HIGRJVTWMFOECH-INIZCTEOSA-N -1 2 374.416 2.501 20 0 FFADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnoc3C3CC3)c1)CCCC2 ZINC000570144147 518460607 /nfs/dbraw/zinc/46/06/07/518460607.db2.gz APLIECBNNXWLEG-UHFFFAOYSA-N -1 2 362.407 2.930 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c(Cl)c1 ZINC000564559726 518502843 /nfs/dbraw/zinc/50/28/43/518502843.db2.gz XKSUGQNSEOODTI-UHFFFAOYSA-N -1 2 368.754 2.686 20 0 FFADLM COc1cc(F)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000588625889 518790566 /nfs/dbraw/zinc/79/05/66/518790566.db2.gz QHQNNMUMWDDJKY-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c(C)c1 ZINC000567987413 518816345 /nfs/dbraw/zinc/81/63/45/518816345.db2.gz SAZJMPPBFYRMFW-ZDUSSCGKSA-N -1 2 365.455 2.812 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000572277362 519534058 /nfs/dbraw/zinc/53/40/58/519534058.db2.gz NTTKFIAHVCCOSF-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)s[nH]1 ZINC000575312418 519582172 /nfs/dbraw/zinc/58/21/72/519582172.db2.gz QSICMCBYWWUJCX-SCZZXKLOSA-N -1 2 366.468 2.571 20 0 FFADLM CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000611444339 521163030 /nfs/dbraw/zinc/16/30/30/521163030.db2.gz NZDMZEDEAPVROE-UHFFFAOYSA-N -1 2 373.383 2.563 20 0 FFADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000737889972 600054430 /nfs/dbraw/zinc/05/44/30/600054430.db2.gz XZXNCAWBVDSXJA-UHFFFAOYSA-N -1 2 362.816 2.613 20 0 FFADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000736403482 600054778 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O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000833344866 601839212 /nfs/dbraw/zinc/83/92/12/601839212.db2.gz FOQQPFGLJDVHRQ-UHFFFAOYSA-N -1 2 370.305 2.800 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000829441247 601847751 /nfs/dbraw/zinc/84/77/51/601847751.db2.gz RNXUFYRRBUFKDA-UHFFFAOYSA-N -1 2 359.404 2.519 20 0 FFADLM O=C([O-])N[C@@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)Cc1ccccc1 ZINC000832113921 603476623 /nfs/dbraw/zinc/47/66/23/603476623.db2.gz NYEYELTWUJEOKH-GFCCVEGCSA-N -1 2 371.422 2.741 20 0 FFADLM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000833340008 604337697 /nfs/dbraw/zinc/33/76/97/604337697.db2.gz QPYCFIWRZBBXPZ-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833506830 604687476 /nfs/dbraw/zinc/68/74/76/604687476.db2.gz OKAYNUFNHLQJFH-UHFFFAOYSA-N -1 2 354.359 2.507 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c(F)c1 ZINC000833751412 604760520 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Cc1cc(S(=O)(=O)Nc2cccnc2OC(C)C)cc(C(=O)[O-])c1F ZINC000327072948 729792002 /nfs/dbraw/zinc/79/20/02/729792002.db2.gz UAACXRFJHVZQAS-UHFFFAOYSA-N -1 2 368.386 2.815 20 0 FFADLM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140784 735697264 /nfs/dbraw/zinc/69/72/64/735697264.db2.gz BJISWOHDYBXMFV-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1)C(=O)[O-] ZINC000758171660 736458603 /nfs/dbraw/zinc/45/86/03/736458603.db2.gz XSAQBQOWUDQMMI-JTQLQIEISA-N -1 2 354.815 2.799 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000766328469 737219622 /nfs/dbraw/zinc/21/96/22/737219622.db2.gz CORTYBIRLXLOIW-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000322871480 970937449 /nfs/dbraw/zinc/93/74/49/970937449.db2.gz GNIASECLNPSCOR-UHFFFAOYSA-N -1 2 354.409 2.528 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c(CC(=O)[O-])c1 ZINC000324557519 971132536 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364.423 2.986 20 0 FFADLM CCCOc1cncc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1 ZINC001595975523 983211313 /nfs/dbraw/zinc/21/13/13/983211313.db2.gz JTDHDCORJUJODW-UHFFFAOYSA-N -1 2 354.384 2.525 20 0 FFADLM CCc1noc2ncc(S(=O)(=O)Nc3c(C)csc3C(=O)[O-])cc12 ZINC001597754198 989155140 /nfs/dbraw/zinc/15/51/40/989155140.db2.gz CVJQBUIOSZEUOU-UHFFFAOYSA-N -1 2 367.408 2.654 20 0 FFADLM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(Cl)cc1C ZINC001599293127 997094881 /nfs/dbraw/zinc/09/48/81/997094881.db2.gz LEDRGDHGJYRJRZ-UHFFFAOYSA-N -1 2 370.814 2.689 20 0 FFADLM CC1(C)Cc2cccc(S(=O)(=O)Nc3cc(C(=O)[O-])cs3)c2O1 ZINC001593968976 997124700 /nfs/dbraw/zinc/12/47/00/997124700.db2.gz QEUOXIHKOIWWKG-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)[N-]c2c[nH+]c3ccccn23)c(Cl)cc1F ZINC001193971453 1004621228 /nfs/dbraw/zinc/62/12/28/1004621228.db2.gz DPRIQENWWLPQMJ-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747106 1004721930 /nfs/dbraw/zinc/72/19/30/1004721930.db2.gz RLHCQXHOGLDYKP-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2C2CC2)c(F)cc1F ZINC001195202193 1004915898 /nfs/dbraw/zinc/91/58/98/1004915898.db2.gz RZZULHCITAAYCC-UHFFFAOYSA-N -1 2 354.334 2.736 20 0 FFADLM C[C@@H](O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195238650 1004930748 /nfs/dbraw/zinc/93/07/48/1004930748.db2.gz RLPHNYYKYIPNIC-MRVPVSSYSA-N -1 2 357.334 2.517 20 0 FFADLM COc1cnc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C)[nH]c1=O ZINC000934271923 1021181884 /nfs/dbraw/zinc/18/18/84/1021181884.db2.gz ABKRHTZBMWUIDF-HNNXBMFYSA-N -1 2 356.426 2.665 20 0 FFADLM C[C@H](C[NH+](C)C)Oc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12 ZINC001233576333 1036686400 /nfs/dbraw/zinc/68/64/00/1036686400.db2.gz JWEDWFLVRDPOEN-LLVKDONJSA-N -1 2 371.389 2.906 20 0 FFADLM C[C@@H]1[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335895 1036988800 /nfs/dbraw/zinc/98/88/00/1036988800.db2.gz NJIRAAUCCAIVMY-MFKMUULPSA-N -1 2 359.315 2.545 20 0 FFADLM C[C@@H]1[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234335895 1036988814 /nfs/dbraw/zinc/98/88/14/1036988814.db2.gz NJIRAAUCCAIVMY-MFKMUULPSA-N -1 2 359.315 2.545 20 0 FFADLM COc1ccc(F)cc1-c1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[nH]1 ZINC001245952323 1039157636 /nfs/dbraw/zinc/15/76/36/1039157636.db2.gz XCVFQZGXEGOSIC-UHFFFAOYSA-N -1 2 364.354 2.639 20 0 FFADLM Cc1cnn(-c2ccccc2C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184220 1040444512 /nfs/dbraw/zinc/44/45/12/1040444512.db2.gz BUCFUQVINFOEKO-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM CC(C)c1c(Cl)ncnc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260185241 1040444538 /nfs/dbraw/zinc/44/45/38/1040444538.db2.gz YEBWGSKATJAUDF-UHFFFAOYSA-N -1 2 355.803 2.752 20 0 FFADLM CC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216442 1040469138 /nfs/dbraw/zinc/46/91/38/1040469138.db2.gz ILHPJNZZBABDHG-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)o1 ZINC001260868777 1040858340 /nfs/dbraw/zinc/85/83/40/1040858340.db2.gz JQNCSHVJLKILPL-UHFFFAOYSA-N -1 2 366.178 2.879 20 0 FFADLM O=C(NCc1ccco1)c1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001240105793 1044222862 /nfs/dbraw/zinc/22/28/62/1044222862.db2.gz AIDZQUANKYOHJM-UHFFFAOYSA-N -1 2 357.302 2.680 20 0 FFADLM O=C(NCc1ccco1)c1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001240105793 1044222879 /nfs/dbraw/zinc/22/28/79/1044222879.db2.gz AIDZQUANKYOHJM-UHFFFAOYSA-N -1 2 357.302 2.680 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000738239825 1048673868 /nfs/dbraw/zinc/67/38/68/1048673868.db2.gz MRBGEQVGZRHRLV-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC001589657198 1080655799 /nfs/dbraw/zinc/65/57/99/1080655799.db2.gz SSDOHWQQWXWPML-UHFFFAOYSA-N -1 2 366.464 2.795 20 0 FFADLM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cccc(C(F)(F)F)c2O)n1 ZINC001589677795 1080665796 /nfs/dbraw/zinc/66/57/96/1080665796.db2.gz HBYGFDFYXLVQKC-UHFFFAOYSA-N -1 2 357.288 2.680 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000272390411 252026529 /nfs/dbraw/zinc/02/65/29/252026529.db2.gz GZZVZIAJVNZNHC-UHFFFAOYSA-N -1 2 359.354 2.772 20 0 FFADLM COc1cc(Cl)c(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000281272459 256623235 /nfs/dbraw/zinc/62/32/35/256623235.db2.gz XBPZAVSHWXQIPN-UHFFFAOYSA-N -1 2 373.818 2.625 20 0 FFADLM CCc1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189460604 509585866 /nfs/dbraw/zinc/58/58/66/509585866.db2.gz APXFNOYKTVRQNR-UHFFFAOYSA-N -1 2 374.422 2.570 20 0 FFADLM O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000177179986 509920148 /nfs/dbraw/zinc/92/01/48/509920148.db2.gz XEFKXQMJBQLFSS-UHFFFAOYSA-N -1 2 362.433 2.536 20 0 FFADLM COc1ccsc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000177510938 510105561 /nfs/dbraw/zinc/10/55/61/510105561.db2.gz HTBRUMZFDMJAFN-LLVKDONJSA-N -1 2 372.537 2.543 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C)c(C)s2)c1OC ZINC000271346340 511172119 /nfs/dbraw/zinc/17/21/19/511172119.db2.gz FEOPJIMVCRPOJI-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM COc1ncccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000321902749 511822149 /nfs/dbraw/zinc/82/21/49/511822149.db2.gz QMKZVIOXZPALPY-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1O ZINC000392396201 512925054 /nfs/dbraw/zinc/92/50/54/512925054.db2.gz GXOCYWOUDDRZTC-UHFFFAOYSA-N -1 2 361.297 2.910 20 0 FFADLM COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1C(=O)[O-] ZINC000392654297 512927038 /nfs/dbraw/zinc/92/70/38/512927038.db2.gz QFSJVWSPDZUVGM-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM O=C(Cc1c[nH]c2ncccc12)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000368548356 512995081 /nfs/dbraw/zinc/99/50/81/512995081.db2.gz LRBCBSZRMHANSK-UHFFFAOYSA-N -1 2 354.320 2.807 20 0 FFADLM COc1cc(S(=O)(=O)Nc2ccccc2O)c(Cl)cc1C(=O)[O-] ZINC000433802212 513153499 /nfs/dbraw/zinc/15/34/99/513153499.db2.gz 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FFADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)s1 ZINC000436721148 513957132 /nfs/dbraw/zinc/95/71/32/513957132.db2.gz GUGXMMGZTJGZAW-UHFFFAOYSA-N -1 2 356.425 2.527 20 0 FFADLM Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1O ZINC000438767890 514438721 /nfs/dbraw/zinc/43/87/21/514438721.db2.gz BQZJXSLMZWSSSM-UHFFFAOYSA-N -1 2 359.762 2.992 20 0 FFADLM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O)OC ZINC000421161358 514511581 /nfs/dbraw/zinc/51/15/81/514511581.db2.gz WZGAGHGFSPRLEQ-QMMMGPOBSA-N -1 2 372.668 2.975 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc2[nH]ncc21 ZINC000499265806 515261408 /nfs/dbraw/zinc/26/14/08/515261408.db2.gz PTXCHYSXDOOOEW-UHFFFAOYSA-N -1 2 359.407 2.987 20 0 FFADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C(C)C ZINC000499269047 515263125 /nfs/dbraw/zinc/26/31/25/515263125.db2.gz YCDQVZWICCGUOD-UHFFFAOYSA-N -1 2 368.459 2.500 20 0 FFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c1 ZINC000510124293 515444205 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Cc1c(NS(=O)(=O)c2ccc(Br)cn2)cccc1C(=O)[O-] ZINC000548235709 516842085 /nfs/dbraw/zinc/84/20/85/516842085.db2.gz MYGHALSALBPAQC-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000541801367 517222778 /nfs/dbraw/zinc/22/27/78/517222778.db2.gz OAQFAQOZBJQRQS-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2cccc3c2OC(C)(C)CC3)cc1C(=O)[O-] ZINC000530148028 517593197 /nfs/dbraw/zinc/59/31/97/517593197.db2.gz VWLNRDJXMXOMIL-UHFFFAOYSA-N -1 2 364.423 2.628 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCO3)c(Cl)c1 ZINC000542941852 517828770 /nfs/dbraw/zinc/82/87/70/517828770.db2.gz GWOYAVMHNNFAIL-UHFFFAOYSA-N -1 2 355.755 2.568 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000530685503 517920915 /nfs/dbraw/zinc/92/09/15/517920915.db2.gz AXRQDNOHJCGDDR-UHFFFAOYSA-N -1 2 363.439 2.842 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c(C)c1C(=O)[O-] ZINC000534792977 518035176 /nfs/dbraw/zinc/03/51/76/518035176.db2.gz 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/nfs/dbraw/zinc/23/48/94/601234894.db2.gz ZUDBEMHDRRZLQE-UHFFFAOYSA-N -1 2 371.436 2.662 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000832653859 601333985 /nfs/dbraw/zinc/33/39/85/601333985.db2.gz DBFPLRSTBWQSID-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC000829440648 601502287 /nfs/dbraw/zinc/50/22/87/601502287.db2.gz NUNSOAWDHXYLGY-UHFFFAOYSA-N -1 2 355.441 2.688 20 0 FFADLM CCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000829574225 601502440 /nfs/dbraw/zinc/50/24/40/601502440.db2.gz TYSJBRVHIJSAAK-UHFFFAOYSA-N -1 2 361.832 2.643 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000832919219 601504004 /nfs/dbraw/zinc/50/40/04/601504004.db2.gz YQHCOACKBQHNGU-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000833346207 601768714 /nfs/dbraw/zinc/76/87/14/601768714.db2.gz LLLVXBGEJHGVOK-UHFFFAOYSA-N -1 2 373.481 2.758 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)/C=C\c2ccccc2)n1 ZINC000391009378 601772064 /nfs/dbraw/zinc/77/20/64/601772064.db2.gz KQRKZNYADWUMRH-KTKRTIGZSA-N -1 2 352.437 2.963 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c1C(=O)[O-] ZINC000832973156 602307840 /nfs/dbraw/zinc/30/78/40/602307840.db2.gz XFDHFUZYYXDWQD-UHFFFAOYSA-N -1 2 351.428 2.806 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c(F)cc1F ZINC000832904237 604623375 /nfs/dbraw/zinc/62/33/75/604623375.db2.gz AXKMRFDYKFDVPU-UHFFFAOYSA-N -1 2 362.379 2.548 20 0 FFADLM CCCCn1ncc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1C ZINC000160165014 604792236 /nfs/dbraw/zinc/79/22/36/604792236.db2.gz FLAUWVINPLPOSU-UHFFFAOYSA-N -1 2 373.381 2.769 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833665069 605152341 /nfs/dbraw/zinc/15/23/41/605152341.db2.gz JSUBHKZVXMHLJL-UHFFFAOYSA-N -1 2 373.390 2.528 20 0 FFADLM COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000826169095 608374284 /nfs/dbraw/zinc/37/42/84/608374284.db2.gz IDWZMWNSLIZCPP-HNNXBMFYSA-N -1 2 373.457 2.572 20 0 FFADLM COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000826169095 608374286 /nfs/dbraw/zinc/37/42/86/608374286.db2.gz IDWZMWNSLIZCPP-HNNXBMFYSA-N -1 2 373.457 2.572 20 0 FFADLM COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000826169096 608374463 /nfs/dbraw/zinc/37/44/63/608374463.db2.gz IDWZMWNSLIZCPP-OAHLLOKOSA-N -1 2 373.457 2.572 20 0 FFADLM COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000826169096 608374465 /nfs/dbraw/zinc/37/44/65/608374465.db2.gz IDWZMWNSLIZCPP-OAHLLOKOSA-N -1 2 373.457 2.572 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000323952137 729755829 /nfs/dbraw/zinc/75/58/29/729755829.db2.gz ONKYFPDCRFSWDV-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM COCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000326529047 729790125 /nfs/dbraw/zinc/79/01/25/729790125.db2.gz QRGOIXNUYXPNHY-UHFFFAOYSA-N -1 2 357.334 2.610 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cc1C(=O)[O-] ZINC000504300306 729924472 /nfs/dbraw/zinc/92/44/72/729924472.db2.gz VQKNYHCJSKQAPJ-UHFFFAOYSA-N -1 2 358.803 2.674 20 0 FFADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1Cl ZINC000673930540 733660227 /nfs/dbraw/zinc/66/02/27/733660227.db2.gz XYJDPNAJUSVVBS-UHFFFAOYSA-N -1 2 364.814 2.747 20 0 FFADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769867716 737575802 /nfs/dbraw/zinc/57/58/02/737575802.db2.gz GJZVPDFXVNFXTC-UHFFFAOYSA-N -1 2 363.439 2.920 20 0 FFADLM O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl)c1cccc2n[nH]nc21 ZINC001095458972 1013452824 /nfs/dbraw/zinc/45/28/24/1013452824.db2.gz DDKQHVLMOKOIOJ-ICCXJUOJSA-N -1 2 366.252 2.612 20 0 FFADLM CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[n-]1 ZINC000895242116 968722156 /nfs/dbraw/zinc/72/21/56/968722156.db2.gz RRBRJLYFARDEOM-AWEZNQCLSA-N -1 2 368.441 2.635 20 0 FFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000318909428 970487039 /nfs/dbraw/zinc/48/70/39/970487039.db2.gz LKJNIUIPCQXUOQ-UHFFFAOYSA-N -1 2 361.470 2.606 20 0 FFADLM CCSCc1cccnc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001597266923 987299495 /nfs/dbraw/zinc/29/94/95/987299495.db2.gz DFLUVZXEYMOGKW-UHFFFAOYSA-N -1 2 366.464 2.763 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc(COC)cc(C(=O)[O-])c2)s1 ZINC001597562422 988307390 /nfs/dbraw/zinc/30/73/90/988307390.db2.gz YVZDYFBDMPAIJK-UHFFFAOYSA-N -1 2 355.437 2.956 20 0 FFADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC001597579380 988379936 /nfs/dbraw/zinc/37/99/36/988379936.db2.gz WYKJJQASUOTQHA-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM CSc1ccc(NS(=O)(=O)c2ccnn2C2CCC2)cc1C(=O)[O-] ZINC001599820431 988504245 /nfs/dbraw/zinc/50/42/45/988504245.db2.gz ZQPIRWHFRSNQNX-UHFFFAOYSA-N -1 2 367.452 2.829 20 0 FFADLM CCc1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)o1 ZINC001597632590 988604606 /nfs/dbraw/zinc/60/46/06/988604606.db2.gz YCTLERMQBOGLSC-UHFFFAOYSA-N -1 2 364.301 2.755 20 0 FFADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])s1 ZINC001597661378 988730215 /nfs/dbraw/zinc/73/02/15/988730215.db2.gz PNCGCZQRSCGRET-UHFFFAOYSA-N -1 2 361.832 2.561 20 0 FFADLM CC1(C)CCc2sc(NS(=O)(=O)c3csc(C(=O)[O-])c3)nc21 ZINC001593924601 996852814 /nfs/dbraw/zinc/85/28/14/996852814.db2.gz PPXONACKLDIGKS-UHFFFAOYSA-N -1 2 358.466 2.927 20 0 FFADLM COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cncc(C(C)C)c1 ZINC001599422922 997624773 /nfs/dbraw/zinc/62/47/73/997624773.db2.gz CGNHTVLBRVKSSM-UHFFFAOYSA-N -1 2 368.386 2.852 20 0 FFADLM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC001599377900 998518538 /nfs/dbraw/zinc/51/85/38/998518538.db2.gz OMCAUWJMGKVIMY-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)sc2C1 ZINC001594450906 999648931 /nfs/dbraw/zinc/64/89/31/999648931.db2.gz OFRCRFLKDRNHLQ-MRVPVSSYSA-N -1 2 370.427 2.906 20 0 FFADLM Cc1nc2sccc2c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184659559 1002678320 /nfs/dbraw/zinc/67/83/20/1002678320.db2.gz ITXRXIKFILOTHM-UHFFFAOYSA-N -1 2 363.420 2.807 20 0 FFADLM COc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184667821 1002681944 /nfs/dbraw/zinc/68/19/44/1002681944.db2.gz MEDAENLSGCQPGQ-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC000677997031 1016699004 /nfs/dbraw/zinc/69/90/04/1016699004.db2.gz HRCYGKWNGSBOBD-UHFFFAOYSA-N -1 2 365.455 2.606 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(CC2CCC2)n1 ZINC001186151094 1003199525 /nfs/dbraw/zinc/19/95/25/1003199525.db2.gz SWHWFXSAIKXONK-UHFFFAOYSA-N -1 2 367.402 2.630 20 0 FFADLM Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(C)c1 ZINC001193971776 1004621181 /nfs/dbraw/zinc/62/11/81/1004621181.db2.gz LBCOXPFMKFBERP-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM CCc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC001198741585 1004719273 /nfs/dbraw/zinc/71/92/73/1004719273.db2.gz QBUJYLDDYWPAJI-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM C[C@H](O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195238656 1004930494 /nfs/dbraw/zinc/93/04/94/1004930494.db2.gz RLPHNYYKYIPNIC-QMMMGPOBSA-N -1 2 357.334 2.517 20 0 FFADLM COc1cccc(OC)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188309017 1006529185 /nfs/dbraw/zinc/52/91/85/1006529185.db2.gz RUVSIZZESGKOIJ-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM CCc1cc2c(C[N@@H+]3CCOC[C@@H]3C[C@H]3CCOC3)cc(=O)oc2cc1O ZINC000933665619 1021063253 /nfs/dbraw/zinc/06/32/53/1021063253.db2.gz HSIOQPZMFVCIDD-PBHICJAKSA-N -1 2 373.449 2.688 20 0 FFADLM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C(=O)C2 ZINC001258987024 1039642140 /nfs/dbraw/zinc/64/21/40/1039642140.db2.gz PKABFUKDWQWFEV-JDNHERCYSA-N -1 2 359.394 2.808 20 0 FFADLM O=S(=O)(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cccn2)cc1 ZINC001259369040 1039945319 /nfs/dbraw/zinc/94/53/19/1039945319.db2.gz LFOHADBXEFISAM-UHFFFAOYSA-N -1 2 365.418 2.859 20 0 FFADLM Cc1cc2nsnc2cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216108 1040467172 /nfs/dbraw/zinc/46/71/72/1040467172.db2.gz SBCIXRKOWRBCCL-UHFFFAOYSA-N -1 2 367.383 2.638 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)OC)c1 ZINC001328418746 1048293727 /nfs/dbraw/zinc/29/37/27/1048293727.db2.gz CHMYRYUXYMMILZ-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475617119 1061167429 /nfs/dbraw/zinc/16/74/29/1061167429.db2.gz HVTHGZJWRBFWQD-ZDUSSCGKSA-N -1 2 371.915 2.836 20 0 FFADLM CN(C(=O)c1ccc(O)c(-c2ccccc2)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC001548861068 1073475850 /nfs/dbraw/zinc/47/58/50/1073475850.db2.gz BZEZNUQWUSSPLI-ICSRJNTNSA-N -1 2 352.434 2.604 20 0 FFADLM C[C@H](NS(=O)(=O)c1cc(O)cc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC001561495709 1076384277 /nfs/dbraw/zinc/38/42/77/1076384277.db2.gz UYGYUWYZSCHLKE-YVEFUNNKSA-N -1 2 352.431 2.501 20 0 FFADLM CC[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC001573803549 1077801812 /nfs/dbraw/zinc/80/18/12/1077801812.db2.gz BZESGXWHEMMEFG-ZCFIWIBFSA-N -1 2 350.596 2.649 20 0 FFADLM CC(C)(C(=O)NOCCCC(=O)[O-])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001589574940 1080613008 /nfs/dbraw/zinc/61/30/08/1080613008.db2.gz OSAJQRZBOIZGNA-ZDUSSCGKSA-N -1 2 364.225 2.966 20 0 FFADLM CCCN(CC[NH+]1CCCC1)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000290715210 257354168 /nfs/dbraw/zinc/35/41/68/257354168.db2.gz XJEHBJPXZIGDTN-UHFFFAOYSA-N -1 2 360.483 2.572 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291275027 257395324 /nfs/dbraw/zinc/39/53/24/257395324.db2.gz ZQJJLWZHZPNTEU-UHFFFAOYSA-N -1 2 369.830 2.758 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)sc1C(=O)[O-] ZINC000371277552 512302745 /nfs/dbraw/zinc/30/27/45/512302745.db2.gz MQJGJMVLNGRNLV-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000047312904 507305256 /nfs/dbraw/zinc/30/52/56/507305256.db2.gz HDCAHHBGSFGMSA-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000266034067 510371608 /nfs/dbraw/zinc/37/16/08/510371608.db2.gz MZZYOXYKDKBPER-UHFFFAOYSA-N -1 2 351.428 2.636 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)n[nH]2)cc1 ZINC000280317768 511418556 /nfs/dbraw/zinc/41/85/56/511418556.db2.gz PBDYYIHEQVEBTL-GFCCVEGCSA-N -1 2 351.428 2.503 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc(C(=O)[O-])c1C ZINC000281262724 511779691 /nfs/dbraw/zinc/77/96/91/511779691.db2.gz WOTNWYQNQDLHFZ-UHFFFAOYSA-N -1 2 351.428 2.659 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000320549997 511815758 /nfs/dbraw/zinc/81/57/58/511815758.db2.gz LYKXOMFBGAGREG-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000451068397 513495654 /nfs/dbraw/zinc/49/56/54/513495654.db2.gz BTKAHRNWYDVQHA-UHFFFAOYSA-N -1 2 356.425 2.658 20 0 FFADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cccc21 ZINC000447787718 513569127 /nfs/dbraw/zinc/56/91/27/513569127.db2.gz OEWIXZILLDBYQH-GFCCVEGCSA-N -1 2 369.420 2.717 20 0 FFADLM Cc1cc(C)c(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)s1 ZINC000430992110 513800708 /nfs/dbraw/zinc/80/07/08/513800708.db2.gz XOMVWKQQGWOXAV-UHFFFAOYSA-N -1 2 369.420 2.635 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1C ZINC000431165391 513842297 /nfs/dbraw/zinc/84/22/97/513842297.db2.gz DRGXCBNRSACZNJ-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000471110076 514755201 /nfs/dbraw/zinc/75/52/01/514755201.db2.gz LFBQJXBJWPYFMB-UHFFFAOYSA-N -1 2 369.420 2.605 20 0 FFADLM COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476414365 515040027 /nfs/dbraw/zinc/04/00/27/515040027.db2.gz LKYVFDNQCFLJSL-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000499330643 515287675 /nfs/dbraw/zinc/28/76/75/515287675.db2.gz RMWKACBEOUCRMF-UHFFFAOYSA-N -1 2 365.745 2.808 20 0 FFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000477424898 515452691 /nfs/dbraw/zinc/45/26/91/515452691.db2.gz SODHVLMBBWSIRC-UHFFFAOYSA-N -1 2 357.391 2.884 20 0 FFADLM CCC[N@@H+](Cc1cc(Cl)c(O)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000459296600 515453955 /nfs/dbraw/zinc/45/39/55/515453955.db2.gz RCPAOKWLYBFBRD-CYBMUJFWSA-N -1 2 361.891 2.843 20 0 FFADLM CCC1(CC)C[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC[S@@]1=O ZINC000459399903 515526842 /nfs/dbraw/zinc/52/68/42/515526842.db2.gz BHRAOSSGYHKLNS-VWLOTQADSA-N -1 2 359.495 2.972 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)c[nH]1 ZINC000481983843 515537666 /nfs/dbraw/zinc/53/76/66/515537666.db2.gz UDSKNEHZXYJKSZ-UHFFFAOYSA-N -1 2 372.402 2.810 20 0 FFADLM CCOc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)cc(Br)c1O ZINC000459500106 515598887 /nfs/dbraw/zinc/59/88/87/515598887.db2.gz BPWBJWPACJMFFD-VIFPVBQESA-N -1 2 355.236 2.533 20 0 FFADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000468984632 515615009 /nfs/dbraw/zinc/61/50/09/515615009.db2.gz PDTVCFRPSUODMW-UHFFFAOYSA-N -1 2 371.798 2.943 20 0 FFADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000488392163 516213373 /nfs/dbraw/zinc/21/33/73/516213373.db2.gz QFUNQDGXFJKNRT-GFCCVEGCSA-N -1 2 363.439 2.672 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(F)c1 ZINC000547567264 516411390 /nfs/dbraw/zinc/41/13/90/516411390.db2.gz AXNABCLKJXWIHJ-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1c(C)cccc1F ZINC000547611072 516433659 /nfs/dbraw/zinc/43/36/59/516433659.db2.gz CIMDNEOHFNBESS-UHFFFAOYSA-N -1 2 367.398 2.961 20 0 FFADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)c(F)c(O)c1F ZINC000544488093 516780047 /nfs/dbraw/zinc/78/00/47/516780047.db2.gz SHRSKBQSFCVLKK-UHFFFAOYSA-N -1 2 365.336 2.926 20 0 FFADLM COc1cc(OC)c(NS(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000540982174 516813776 /nfs/dbraw/zinc/81/37/76/516813776.db2.gz OUIBZQBPNRVGDN-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000548208466 516826559 /nfs/dbraw/zinc/82/65/59/516826559.db2.gz VGPPRQHDCQISQB-UHFFFAOYSA-N -1 2 365.407 2.820 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000524853775 516847764 /nfs/dbraw/zinc/84/77/64/516847764.db2.gz IPZNNIOGMKMESB-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1ccsc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000525529536 517068679 /nfs/dbraw/zinc/06/86/79/517068679.db2.gz FYHMTLTYBZWPLJ-UHFFFAOYSA-N -1 2 369.420 2.717 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)n[nH]2)o1 ZINC000562486825 517137021 /nfs/dbraw/zinc/13/70/21/517137021.db2.gz KBFSSVDOZGWNCV-UHFFFAOYSA-N -1 2 367.408 2.847 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)[nH]n2)o1 ZINC000562486825 517137033 /nfs/dbraw/zinc/13/70/33/517137033.db2.gz KBFSSVDOZGWNCV-UHFFFAOYSA-N -1 2 367.408 2.847 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1-c1ccccc1 ZINC000537837408 517369182 /nfs/dbraw/zinc/36/91/82/517369182.db2.gz NXJHEYHVOVKCBY-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000556347751 517381630 /nfs/dbraw/zinc/38/16/30/517381630.db2.gz PKRJYGTXZMPIQV-UHFFFAOYSA-N -1 2 374.418 2.994 20 0 FFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000538298578 517549730 /nfs/dbraw/zinc/54/97/30/517549730.db2.gz NWJFJBUPDPEXFS-JTQLQIEISA-N -1 2 351.428 2.970 20 0 FFADLM CC[C@H](CNS(=O)(=O)c1cnc(C)s1)[N@H+]1CCc2ccccc2C1 ZINC000533635215 517554983 /nfs/dbraw/zinc/55/49/83/517554983.db2.gz QGNPOFOZCQKVPH-MRXNPFEDSA-N -1 2 365.524 2.567 20 0 FFADLM COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000516960955 517944236 /nfs/dbraw/zinc/94/42/36/517944236.db2.gz IBSDOKRKVLHOPI-UHFFFAOYSA-N -1 2 369.782 2.626 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C1CC1 ZINC000534972489 518101088 /nfs/dbraw/zinc/10/10/88/518101088.db2.gz BZWDABYCVSBHFF-SNVBAGLBSA-N -1 2 366.443 2.569 20 0 FFADLM COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000572606257 518273922 /nfs/dbraw/zinc/27/39/22/518273922.db2.gz LADJTZJGRBFVFM-UHFFFAOYSA-N -1 2 352.394 2.980 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000572693988 518313329 /nfs/dbraw/zinc/31/33/29/518313329.db2.gz YDBQLQYLWOHESQ-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM O=c1[nH]nc([C@H]2CCC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)[nH]1 ZINC000570058323 518422729 /nfs/dbraw/zinc/42/27/29/518422729.db2.gz ZUYSMVQWNDATHU-LBPRGKRZSA-N -1 2 374.832 2.636 20 0 FFADLM O=C(Cc1ccc(Br)cc1O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000573112454 518513315 /nfs/dbraw/zinc/51/33/15/518513315.db2.gz BCPGOUGWHOQBLO-UHFFFAOYSA-N -1 2 373.210 2.917 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)ccc1C(=O)[O-] ZINC000573639396 518761795 /nfs/dbraw/zinc/76/17/95/518761795.db2.gz ZQUIFABCSAPQBV-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC000625249225 523289757 /nfs/dbraw/zinc/28/97/57/523289757.db2.gz FEPGOQPUTJEZTE-LLVKDONJSA-N -1 2 354.859 2.886 20 0 FFADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000739765420 599885991 /nfs/dbraw/zinc/88/59/91/599885991.db2.gz DRIBIQZLNGUYOK-UHFFFAOYSA-N -1 2 359.325 2.922 20 0 FFADLM Cc1nc(NS(=O)(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000738363451 600054571 /nfs/dbraw/zinc/05/45/71/600054571.db2.gz GVXTXKHMRMRNPO-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM O=C([O-])Nc1ccc(CCNC(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000833287061 600744789 /nfs/dbraw/zinc/74/47/89/600744789.db2.gz CWOMFWSKLJFGDR-UHFFFAOYSA-N -1 2 366.377 2.640 20 0 FFADLM CSc1ccncc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832790578 601577539 /nfs/dbraw/zinc/57/75/39/601577539.db2.gz MRMJNVDFVWUYDR-UHFFFAOYSA-N -1 2 358.828 2.956 20 0 FFADLM Cc1cc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC000832868011 601684397 /nfs/dbraw/zinc/68/43/97/601684397.db2.gz UWRPBCPCNRYTSV-UHFFFAOYSA-N -1 2 372.406 2.866 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000321332270 601770955 /nfs/dbraw/zinc/77/09/55/601770955.db2.gz UWLWZLRDNKJHKK-UHFFFAOYSA-N -1 2 354.453 2.914 20 0 FFADLM CC(C)c1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000827128877 602104455 /nfs/dbraw/zinc/10/44/55/602104455.db2.gz AKJWZPMHGBLEJC-UHFFFAOYSA-N -1 2 369.468 2.870 20 0 FFADLM O=C([O-])N1CCc2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2C1 ZINC000740530095 602491140 /nfs/dbraw/zinc/49/11/40/602491140.db2.gz LJFQHMLGNVRBBW-UHFFFAOYSA-N -1 2 368.361 2.802 20 0 FFADLM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000739925011 602652650 /nfs/dbraw/zinc/65/26/50/602652650.db2.gz YJULETYKDNABIP-UHFFFAOYSA-N -1 2 358.322 2.864 20 0 FFADLM Cc1ccsc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740197045 603229759 /nfs/dbraw/zinc/22/97/59/603229759.db2.gz KXQOPYYUMMJIGH-UHFFFAOYSA-N -1 2 352.437 2.893 20 0 FFADLM CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833448823 604685440 /nfs/dbraw/zinc/68/54/40/604685440.db2.gz HWAOPOWFTDACAI-UHFFFAOYSA-N -1 2 350.396 2.584 20 0 FFADLM C[C@@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824711335 604823413 /nfs/dbraw/zinc/82/34/13/604823413.db2.gz VAIMYGCHTPSDIX-JTQLQIEISA-N -1 2 363.443 2.888 20 0 FFADLM C[C@@H]1[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)CCOC1(C)C ZINC000825012048 609363129 /nfs/dbraw/zinc/36/31/29/609363129.db2.gz CTLLKTQJMVPYSB-JTQLQIEISA-N -1 2 366.263 2.629 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000157286979 728869419 /nfs/dbraw/zinc/86/94/19/728869419.db2.gz IBPWOQFMPJOSBS-UHFFFAOYSA-N -1 2 365.455 2.661 20 0 FFADLM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(O)c1 ZINC000442846027 729875124 /nfs/dbraw/zinc/87/51/24/729875124.db2.gz YJMSEVAVBUBRPF-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1ccc(Cc2nnc(NC(=O)c3cc(C(C)(C)[NH3+])no3)s2)cc1 ZINC000662580618 732336509 /nfs/dbraw/zinc/33/65/09/732336509.db2.gz BPUJESXZEIUJOT-UHFFFAOYSA-N -1 2 357.439 2.871 20 0 FFADLM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1O ZINC000762456695 736825686 /nfs/dbraw/zinc/82/56/86/736825686.db2.gz VTVAEMSRRJSKCQ-UHFFFAOYSA-N -1 2 357.334 2.786 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnc(Cl)cc2C)c1F ZINC000765141122 737086568 /nfs/dbraw/zinc/08/65/68/737086568.db2.gz GXMDXHYTXKASRV-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)sc1C(=O)[O-] ZINC000795385712 740014727 /nfs/dbraw/zinc/01/47/27/740014727.db2.gz CMSDJWBNDVALAS-QMMMGPOBSA-N -1 2 359.400 2.748 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c1 ZINC000811707305 741550326 /nfs/dbraw/zinc/55/03/26/741550326.db2.gz AMEWQKHPRHAQNA-UHFFFAOYSA-N -1 2 368.754 2.686 20 0 FFADLM O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cnc(Cl)c(F)c1 ZINC000392254404 845852165 /nfs/dbraw/zinc/85/21/65/845852165.db2.gz YZJCCTAQJFJPMB-CYBMUJFWSA-N -1 2 373.837 2.583 20 0 FFADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000323600259 971021335 /nfs/dbraw/zinc/02/13/35/971021335.db2.gz ZAQUJWZHLXWRCS-UHFFFAOYSA-N -1 2 360.344 2.603 20 0 FFADLM COc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000326145072 971270505 /nfs/dbraw/zinc/27/05/05/971270505.db2.gz UWSAAHGNZVEWMH-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM O=C([O-])c1cc(Nc2ccccc2C[NH+]2CCOCC2)cc(C(=O)[O-])c1 ZINC001176241729 1013657115 /nfs/dbraw/zinc/65/71/15/1013657115.db2.gz UILJZJZVBVZALM-UHFFFAOYSA-N -1 2 356.378 2.659 20 0 FFADLM O=C(c1cccc(Cl)c1O)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272106273 981663357 /nfs/dbraw/zinc/66/33/57/981663357.db2.gz SSVHGGYNZSKUJD-LJQANCHMSA-N -1 2 374.872 2.897 20 0 FFADLM CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)ccc1C ZINC001596713748 984937181 /nfs/dbraw/zinc/93/71/81/984937181.db2.gz GRVVXGHFYXBZGW-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM OC[C@]1(F)C[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@@H]1c1ccccc1 ZINC000878664656 1015157132 /nfs/dbraw/zinc/15/71/32/1015157132.db2.gz APHOKFRAEOMPMF-OXQOHEQNSA-N -1 2 369.396 2.742 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1C ZINC001597943475 989922565 /nfs/dbraw/zinc/92/25/65/989922565.db2.gz WMTKGTGIFFOTFU-JTQLQIEISA-N -1 2 351.428 2.509 20 0 FFADLM COc1cc(Cl)ccc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599420499 997586551 /nfs/dbraw/zinc/58/65/51/997586551.db2.gz ADKJSWGSNSRUAI-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM COc1cccc(OC)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184692580 1002683389 /nfs/dbraw/zinc/68/33/89/1002683389.db2.gz ZULPBSQDSSPKON-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnccc1C(F)(F)F ZINC001185875552 1003090147 /nfs/dbraw/zinc/09/01/47/1003090147.db2.gz GAVNMFUGNSSHIW-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C(C)(C)C)n1 ZINC001186143290 1003195969 /nfs/dbraw/zinc/19/59/69/1003195969.db2.gz MJUFODXUOBGTOV-UHFFFAOYSA-N -1 2 355.391 2.585 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cn3c(cccc3Cl)n2)ccc1F ZINC001186150660 1003199154 /nfs/dbraw/zinc/19/91/54/1003199154.db2.gz JXKZULKXLZEWDT-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM C[C@@H](O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195184836 1004904337 /nfs/dbraw/zinc/90/43/37/1004904337.db2.gz DZGHOYJKPJQZHP-MRVPVSSYSA-N -1 2 357.334 2.517 20 0 FFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCC3)c1 ZINC001187580986 1006162038 /nfs/dbraw/zinc/16/20/38/1006162038.db2.gz CTRZNOLQWIXMHC-UHFFFAOYSA-N -1 2 353.783 2.774 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2csc3nccnc23)ccc1Cl ZINC001188279560 1006499544 /nfs/dbraw/zinc/49/95/44/1006499544.db2.gz HKIOLKVRKOGVKC-UHFFFAOYSA-N -1 2 369.811 2.844 20 0 FFADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)n1 ZINC000932037190 1020681163 /nfs/dbraw/zinc/68/11/63/1020681163.db2.gz DZKGUHQNNGIDEO-HNNXBMFYSA-N -1 2 355.438 2.995 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1ccc(F)c(O)c1F)C2 ZINC001232935476 1036170829 /nfs/dbraw/zinc/17/08/29/1036170829.db2.gz LERCUSMHEOTODP-QRWLVFNGSA-N -1 2 373.403 2.594 20 0 FFADLM O=C1C[C@@]2(CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CN1c1ccccn1 ZINC001233395088 1036597143 /nfs/dbraw/zinc/59/71/43/1036597143.db2.gz LNZNYZQSSPDOJM-LJQANCHMSA-N -1 2 359.376 2.694 20 0 FFADLM C[NH+](C)C[C@H]1CN(Cc2cc(Cl)c(O)c(Br)c2)CCO1 ZINC001231746249 1037870290 /nfs/dbraw/zinc/87/02/90/1037870290.db2.gz QVQOXZRHYYEQQF-NSHDSACASA-N -1 2 363.683 2.571 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)cc1 ZINC001260220611 1040471441 /nfs/dbraw/zinc/47/14/41/1040471441.db2.gz CMBPMZCFBXOSFX-UHFFFAOYSA-N -1 2 352.755 2.980 20 0 FFADLM C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1C ZINC001262851305 1041901573 /nfs/dbraw/zinc/90/15/73/1041901573.db2.gz CSXOAKQXCRTFCM-SSDOTTSWSA-N -1 2 353.764 2.729 20 0 FFADLM COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(O)c1F ZINC001276735135 1041956775 /nfs/dbraw/zinc/95/67/75/1041956775.db2.gz MHRWKCWXRSJKLC-HUUCEWRRSA-N -1 2 368.424 2.661 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H]1CC ZINC001357474702 1055917689 /nfs/dbraw/zinc/91/76/89/1055917689.db2.gz UERZNQNCMCUDHX-LLVKDONJSA-N -1 2 353.858 2.522 20 0 FFADLM CCCC[C@@H](C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001577430927 1078357710 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FFADLM C[N@H+]1CC[C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1ccccc1 ZINC000332983660 511169783 /nfs/dbraw/zinc/16/97/83/511169783.db2.gz ZOEDQDMUCCFLIA-KGLIPLIRSA-N -1 2 359.499 2.824 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000325650352 511850658 /nfs/dbraw/zinc/85/06/58/511850658.db2.gz YTSPOJWDKLFCCU-UHFFFAOYSA-N -1 2 370.814 2.941 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccnc2OC(C)C)c1C ZINC000392846526 512929419 /nfs/dbraw/zinc/92/94/19/512929419.db2.gz OTUZTPBDOPICRE-UHFFFAOYSA-N -1 2 364.423 2.985 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000442821176 513787484 /nfs/dbraw/zinc/78/74/84/513787484.db2.gz UPQAQRMZGVQFSM-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CCCCOc1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)c(O)c1 ZINC000436728724 513960081 /nfs/dbraw/zinc/96/00/81/513960081.db2.gz CAYBHTBDCJKTCA-JTQLQIEISA-N -1 2 351.428 2.804 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000471122127 514760610 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O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)c1 ZINC000605119036 520787607 /nfs/dbraw/zinc/78/76/07/520787607.db2.gz UBYCHICXHXTGJM-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM COc1cc(NS(=O)(=O)c2sccc2C)c(C(=O)[O-])cc1OC ZINC000607611342 521406025 /nfs/dbraw/zinc/40/60/25/521406025.db2.gz SBQYPRWVFCVNEY-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM CCN1CCc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC000075081662 599801396 /nfs/dbraw/zinc/80/13/96/599801396.db2.gz HJGKZMVMWHSKAC-UHFFFAOYSA-N -1 2 364.398 2.707 20 0 FFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737496918 599899818 /nfs/dbraw/zinc/89/98/18/599899818.db2.gz RHUWBRWAPCXAAY-UHFFFAOYSA-N -1 2 358.379 2.759 20 0 FFADLM Cc1nc(NS(=O)(=O)C2=Cc3ccccc3CC2)sc1C(=O)[O-] ZINC000738363123 600054585 /nfs/dbraw/zinc/05/45/85/600054585.db2.gz DAZIVEOZXMFMFX-UHFFFAOYSA-N -1 2 350.421 2.879 20 0 FFADLM CCN(CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000737074187 600101944 /nfs/dbraw/zinc/10/19/44/600101944.db2.gz CGONSEGFGNPXEA-UHFFFAOYSA-N -1 2 373.434 2.567 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c1C(=O)[O-] ZINC000738743438 600179286 /nfs/dbraw/zinc/17/92/86/600179286.db2.gz FDOKKZOCJIBKKZ-UHFFFAOYSA-N -1 2 360.313 2.908 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738755466 600244291 /nfs/dbraw/zinc/24/42/91/600244291.db2.gz STNYGKUWLPKRCC-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(OCC(C)C)nc2)c1C(=O)[O-] ZINC000738970939 600253831 /nfs/dbraw/zinc/25/38/31/600253831.db2.gz XXMSPDXRKJLMCT-UHFFFAOYSA-N -1 2 368.411 2.825 20 0 FFADLM O=C([O-])NCc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000740002626 600303317 /nfs/dbraw/zinc/30/33/17/600303317.db2.gz YKYKSSRXBREPOP-UHFFFAOYSA-N -1 2 360.313 2.672 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1C(=O)[O-] ZINC000832903458 600979150 /nfs/dbraw/zinc/97/91/50/600979150.db2.gz DZRZVQSJRKGRMR-UHFFFAOYSA-N -1 2 365.455 2.816 20 0 FFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C)n1 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COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1OC ZINC000326101471 511854423 /nfs/dbraw/zinc/85/44/23/511854423.db2.gz XMNKGTNWKHJVPP-UHFFFAOYSA-N -1 2 351.380 2.511 20 0 FFADLM CCc1n[nH]c(=O)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1CC ZINC000366479387 512045008 /nfs/dbraw/zinc/04/50/08/512045008.db2.gz MUDKVUYKFZPAPR-UHFFFAOYSA-N -1 2 374.351 2.623 20 0 FFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000391161299 512915456 /nfs/dbraw/zinc/91/54/56/512915456.db2.gz BPNSHDZVPDULID-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000392090024 512921395 /nfs/dbraw/zinc/92/13/95/512921395.db2.gz FAMIPWCIPLDQIY-UHFFFAOYSA-N -1 2 367.251 2.881 20 0 FFADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C)cs1 ZINC000451024203 513464466 /nfs/dbraw/zinc/46/44/66/513464466.db2.gz HWIRQMVUVMBAAN-UHFFFAOYSA-N -1 2 355.437 2.883 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1F ZINC000436169043 513781209 /nfs/dbraw/zinc/78/12/09/513781209.db2.gz KOOUKPKKBMSOHA-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000414370296 514071917 /nfs/dbraw/zinc/07/19/17/514071917.db2.gz GNGFECJWWMBKGW-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)[O-] ZINC000414388027 514085212 /nfs/dbraw/zinc/08/52/12/514085212.db2.gz ZQWFMBYZNIPLOR-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM Cc1c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cnn1C ZINC000427245756 514160463 /nfs/dbraw/zinc/16/04/63/514160463.db2.gz JCJQXTQSVAZARY-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)s1 ZINC000444422465 514224807 /nfs/dbraw/zinc/22/48/07/514224807.db2.gz MHBVRZXUADOBIQ-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2c(C)cccc2F)c1OC ZINC000479480226 514601033 /nfs/dbraw/zinc/60/10/33/514601033.db2.gz MYUZNAMPOOXNAC-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM CCCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000479554302 514628862 /nfs/dbraw/zinc/62/88/62/514628862.db2.gz LAKUMQZHGZETLI-UHFFFAOYSA-N -1 2 368.386 2.899 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000462101392 514883178 /nfs/dbraw/zinc/88/31/78/514883178.db2.gz JJXLSEOXYRJADI-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM COc1ccccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485266856 514979793 /nfs/dbraw/zinc/97/97/93/514979793.db2.gz DUKGRWCEDNWZAP-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])c1C ZINC000476420366 515043394 /nfs/dbraw/zinc/04/33/94/515043394.db2.gz VRSVKVCHZQPSSZ-UHFFFAOYSA-N -1 2 351.428 2.636 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000509378366 515150041 /nfs/dbraw/zinc/15/00/41/515150041.db2.gz KJKRTWRSIAPMOA-UHFFFAOYSA-N -1 2 350.396 2.669 20 0 FFADLM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccoc1 ZINC000504536881 515324501 /nfs/dbraw/zinc/32/45/01/515324501.db2.gz VMQVQKRQTIPKKE-UHFFFAOYSA-N -1 2 360.185 2.850 20 0 FFADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnc(C)s2)cc1)C(=O)[O-] ZINC000463800913 515620461 /nfs/dbraw/zinc/62/04/61/515620461.db2.gz UNFVMLBLUWNXEC-GFCCVEGCSA-N -1 2 354.453 2.906 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000478683630 515925353 /nfs/dbraw/zinc/92/53/53/515925353.db2.gz ZWLSCNWUCFQSND-VIFPVBQESA-N -1 2 353.375 2.628 20 0 FFADLM COc1cc(S(=O)(=O)Nc2cc(C)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000464837728 515982095 /nfs/dbraw/zinc/98/20/95/515982095.db2.gz MHESWOIGQPZGOM-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CC(C)n1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)n1 ZINC000479252066 516127371 /nfs/dbraw/zinc/12/73/71/516127371.db2.gz JGUQOBIQEPYRAP-UHFFFAOYSA-N -1 2 363.439 2.842 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479278756 516137236 /nfs/dbraw/zinc/13/72/36/516137236.db2.gz KGAVLIQQHIQYAX-UHFFFAOYSA-N -1 2 370.814 2.859 20 0 FFADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512777099 516355343 /nfs/dbraw/zinc/35/53/43/516355343.db2.gz ZMMRONOXGIMFOT-UHFFFAOYSA-N -1 2 369.370 2.650 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1c(C)cc(OC)cc1C(=O)[O-] ZINC000547612792 516436130 /nfs/dbraw/zinc/43/61/30/516436130.db2.gz UIHPZTWUIYJWHJ-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000547885435 516618967 /nfs/dbraw/zinc/61/89/67/516618967.db2.gz MAODFOKFRMOWOT-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1C(=O)[O-] ZINC000523978611 516621224 /nfs/dbraw/zinc/62/12/24/516621224.db2.gz LKPNMBBHBYEXQR-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000543162908 517939987 /nfs/dbraw/zinc/93/99/87/517939987.db2.gz ZDEUTBCCNOJOFH-LBPRGKRZSA-N -1 2 363.439 2.970 20 0 FFADLM O=C([O-])c1ccc([C@H](NS(=O)(=O)CCC2CC2)C(F)(F)F)cc1 ZINC000566971409 518291280 /nfs/dbraw/zinc/29/12/80/518291280.db2.gz OWYNEIZDTFGMTN-LBPRGKRZSA-N -1 2 351.346 2.708 20 0 FFADLM O=C([O-])CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000572848292 518390928 /nfs/dbraw/zinc/39/09/28/518390928.db2.gz DODDXBSEYCPKCR-UHFFFAOYSA-N -1 2 352.232 2.623 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1CC ZINC000573304977 518601777 /nfs/dbraw/zinc/60/17/77/518601777.db2.gz LAGWXPADTUTCQF-UHFFFAOYSA-N -1 2 350.396 2.542 20 0 FFADLM O=C([O-])c1sc2ccsc2c1CNS(=O)(=O)CC(F)(F)F ZINC000583498110 519280826 /nfs/dbraw/zinc/28/08/26/519280826.db2.gz ZAYOECMWBDSKIO-UHFFFAOYSA-N -1 2 359.372 2.643 20 0 FFADLM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(F)cc(Cl)c1O ZINC000580806236 519365640 /nfs/dbraw/zinc/36/56/40/519365640.db2.gz CXUPPFHSVQLMPH-UHFFFAOYSA-N -1 2 351.705 2.505 20 0 FFADLM COC(=O)[C@@]1(C)C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H]1C ZINC000602932284 519979571 /nfs/dbraw/zinc/97/95/71/519979571.db2.gz RJOTWOFLKKSFPL-WLRWDXFRSA-N -1 2 355.394 2.713 20 0 FFADLM COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000611444190 521162535 /nfs/dbraw/zinc/16/25/35/521162535.db2.gz 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ZINC000738310218 600055997 /nfs/dbraw/zinc/05/59/97/600055997.db2.gz KQUWVIYHBBQASG-UHFFFAOYSA-N -1 2 371.418 2.739 20 0 FFADLM Cc1ccnc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000738797986 600361232 /nfs/dbraw/zinc/36/12/32/600361232.db2.gz NCBAROKIOAYLAG-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000833318462 601361781 /nfs/dbraw/zinc/36/17/81/601361781.db2.gz PREAIQJQBWQPQH-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)s1 ZINC000833323599 601388686 /nfs/dbraw/zinc/38/86/86/601388686.db2.gz QFAHUHRDEPWDNL-UHFFFAOYSA-N -1 2 351.405 2.766 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000829440725 601502450 /nfs/dbraw/zinc/50/24/50/601502450.db2.gz PPRUDXNEVDFNKZ-UHFFFAOYSA-N -1 2 355.441 2.688 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1C(=O)[O-] ZINC000832972406 601503836 /nfs/dbraw/zinc/50/38/36/601503836.db2.gz BMPRINCCOBADPU-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM CCc1cccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000830269987 601772332 /nfs/dbraw/zinc/77/23/32/601772332.db2.gz IODQAUIOAHNLFC-UHFFFAOYSA-N -1 2 354.453 2.914 20 0 FFADLM CC(C)COc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000826905753 601836496 /nfs/dbraw/zinc/83/64/96/601836496.db2.gz RJPBURLDYUWQML-UHFFFAOYSA-N -1 2 356.425 2.677 20 0 FFADLM CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000828764462 601837688 /nfs/dbraw/zinc/83/76/88/601837688.db2.gz KEIGSNCKCPVACY-SECBINFHSA-N -1 2 356.425 2.819 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)ccc1Cl ZINC000833306510 601844080 /nfs/dbraw/zinc/84/40/80/601844080.db2.gz ZFOPMHHDRRYEHR-UHFFFAOYSA-N -1 2 359.816 2.568 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)c(C)s1 ZINC000740094604 601977124 /nfs/dbraw/zinc/97/71/24/601977124.db2.gz UWHWEECVJIUDJM-UHFFFAOYSA-N -1 2 373.481 2.658 20 0 FFADLM O=C([O-])c1nscc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000833345772 602155736 /nfs/dbraw/zinc/15/57/36/602155736.db2.gz AQEFOCIPBFWQHF-UHFFFAOYSA-N -1 2 370.305 2.800 20 0 FFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000833297021 602212734 /nfs/dbraw/zinc/21/27/34/602212734.db2.gz GVYMXTPFXQFDTJ-UHFFFAOYSA-N -1 2 369.758 2.628 20 0 FFADLM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(F)cc(Cl)c1O ZINC000830000849 604275615 /nfs/dbraw/zinc/27/56/15/604275615.db2.gz NAOOVPYEBNYRBN-JTQLQIEISA-N -1 2 361.797 2.774 20 0 FFADLM O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000834275741 605944424 /nfs/dbraw/zinc/94/44/24/605944424.db2.gz NEOMWQZLDPFUDV-UHFFFAOYSA-N -1 2 361.301 2.991 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3ncsc3c2)c1 ZINC000174046815 729061463 /nfs/dbraw/zinc/06/14/63/729061463.db2.gz PGPWEYDOOAGSOC-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2c(OC)cccc2SC)cc1C(=O)[O-] ZINC000416959919 729854523 /nfs/dbraw/zinc/85/45/23/729854523.db2.gz QVJMNHKCLLTYLV-UHFFFAOYSA-N -1 2 370.452 2.738 20 0 FFADLM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000647262355 730729087 /nfs/dbraw/zinc/72/90/87/730729087.db2.gz XTRVRGWVGMIFJY-SVRRBLITSA-N -1 2 362.607 2.791 20 0 FFADLM Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000685902500 734351049 /nfs/dbraw/zinc/35/10/49/734351049.db2.gz WIVBAQABOAQSMR-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM CO[C@@H]1Cc2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2C1 ZINC000783861052 738843311 /nfs/dbraw/zinc/84/33/11/738843311.db2.gz CHSYLYNYKBYRHL-CYBMUJFWSA-N -1 2 367.448 2.669 20 0 FFADLM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753776536 736093549 /nfs/dbraw/zinc/09/35/49/736093549.db2.gz VQMRELQLMWGFOJ-UHFFFAOYSA-N -1 2 353.371 2.780 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc2n[nH]cc21 ZINC000766330643 737220070 /nfs/dbraw/zinc/22/00/70/737220070.db2.gz XUPSTVNTMGZZCL-UHFFFAOYSA-N -1 2 363.370 2.818 20 0 FFADLM Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC000931312256 739242759 /nfs/dbraw/zinc/24/27/59/739242759.db2.gz QSFKXORVTOCCCT-LBPRGKRZSA-N -1 2 370.236 2.553 20 0 FFADLM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2O)cc1C(=O)[O-] ZINC000790382012 739445655 /nfs/dbraw/zinc/44/56/55/739445655.db2.gz HOTRSMQNIVIVAM-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000793410623 739778632 /nfs/dbraw/zinc/77/86/32/739778632.db2.gz FOBNXDYRXGQGHB-UHFFFAOYSA-N -1 2 369.418 2.876 20 0 FFADLM COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000323865451 971048091 /nfs/dbraw/zinc/04/80/91/971048091.db2.gz GYIMYQREJSYZTM-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000327912192 971432993 /nfs/dbraw/zinc/43/29/93/971432993.db2.gz UIMMWOLAOZINIW-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCCCCC(=O)[O-] ZINC001589673941 949968565 /nfs/dbraw/zinc/96/85/65/949968565.db2.gz XVYCKSHUWNWTEV-UHFFFAOYSA-N -1 2 366.443 2.573 20 0 FFADLM Cc1cccc2c(=O)c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c[nH]c12 ZINC001594411154 958949055 /nfs/dbraw/zinc/94/90/55/958949055.db2.gz JTIHPAZCYNYXGX-WBVHZDCISA-N -1 2 362.385 2.880 20 0 FFADLM CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000392815053 972527026 /nfs/dbraw/zinc/52/70/26/972527026.db2.gz OSCWYIUJNNVNFT-UHFFFAOYSA-N -1 2 365.407 2.901 20 0 FFADLM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000660748659 972735856 /nfs/dbraw/zinc/73/58/56/972735856.db2.gz YXDJAKJIXLDFBS-UHFFFAOYSA-N -1 2 356.470 2.753 20 0 FFADLM Cc1cccc2c(=O)c(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)c[nH]c12 ZINC001605347022 973241701 /nfs/dbraw/zinc/24/17/01/973241701.db2.gz AXEUZRKFWDLIHH-NRFANRHFSA-N -1 2 364.401 2.609 20 0 FFADLM Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1C ZINC001088471666 979755761 /nfs/dbraw/zinc/75/57/61/979755761.db2.gz YNWTTZJLLREDOA-QAPCUYQASA-N -1 2 367.449 2.532 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)s1 ZINC001597562806 988310808 /nfs/dbraw/zinc/31/08/08/988310808.db2.gz RFQDRCMWPSLOLX-QMMMGPOBSA-N -1 2 372.493 2.757 20 0 FFADLM C[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC001599831062 988676028 /nfs/dbraw/zinc/67/60/28/988676028.db2.gz YLDOLPBLUGVNCM-VIFPVBQESA-N -1 2 361.398 2.696 20 0 FFADLM CCc1nc(NS(=O)(=O)Cc2ccc(C)c(F)c2)sc1C(=O)[O-] ZINC001597685393 988834036 /nfs/dbraw/zinc/83/40/36/988834036.db2.gz NRRMLXRVZWQVBS-UHFFFAOYSA-N -1 2 358.416 2.793 20 0 FFADLM CN(C)c1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC001598301522 991254397 /nfs/dbraw/zinc/25/43/97/991254397.db2.gz UQXZBATYOSXBGN-UHFFFAOYSA-N -1 2 374.340 2.669 20 0 FFADLM CC(C)CCn1nccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001591277284 992202872 /nfs/dbraw/zinc/20/28/72/992202872.db2.gz WGQJNZZZTBZSEI-UHFFFAOYSA-N -1 2 355.391 2.567 20 0 FFADLM CC(C)CCn1nccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001591277258 992203004 /nfs/dbraw/zinc/20/30/04/992203004.db2.gz VQEABIKHLQQVPO-UHFFFAOYSA-N -1 2 355.391 2.567 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnc(C(F)F)c(C)c1 ZINC001599384049 996911220 /nfs/dbraw/zinc/91/12/20/996911220.db2.gz RYKQEWXGUAUPQJ-UHFFFAOYSA-N -1 2 372.349 2.835 20 0 FFADLM COc1cc(C)c(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])cc1OC ZINC001599393333 997078422 /nfs/dbraw/zinc/07/84/22/997078422.db2.gz IGVSZAAYQBGNAM-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598912451 997395672 /nfs/dbraw/zinc/39/56/72/997395672.db2.gz WFTQCJXCKCDYJV-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC001599378454 998528191 /nfs/dbraw/zinc/52/81/91/998528191.db2.gz WRJXUUVKWMONNE-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM CC(=O)c1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1C ZINC000677639557 1016259596 /nfs/dbraw/zinc/25/95/96/1016259596.db2.gz DBFIXXUBZOAFOE-UHFFFAOYSA-N -1 2 352.350 2.508 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3O)s2)cc1C(=O)[O-] ZINC001184653755 1002676614 /nfs/dbraw/zinc/67/66/14/1002676614.db2.gz PZVFTAWHNQBMDC-UHFFFAOYSA-N -1 2 364.404 2.809 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2nc3ccc(F)cc3o2)cc1C(=O)[O-] ZINC001184652759 1002676760 /nfs/dbraw/zinc/67/67/60/1002676760.db2.gz GUEQCDRLNRYYDK-UHFFFAOYSA-N -1 2 350.327 2.774 20 0 FFADLM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC001193058431 1004369865 /nfs/dbraw/zinc/36/98/65/1004369865.db2.gz UOCNRNIGFLKEKN-UHFFFAOYSA-N -1 2 356.227 2.782 20 0 FFADLM O=C(Nc1ccccc1[S-])c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC001198000346 1004439692 /nfs/dbraw/zinc/43/96/92/1004439692.db2.gz YNCYDSJMXXCPJZ-UHFFFAOYSA-N -1 2 374.809 2.528 20 0 FFADLM CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(N)cc2O)[C@H](C)C1 ZINC000817999741 1007830230 /nfs/dbraw/zinc/83/02/30/1007830230.db2.gz VNHRREXEKKIYCE-OAHLLOKOSA-N -1 2 369.465 2.720 20 0 FFADLM CCCCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)c(O)c3)C2)OCC1=O ZINC001277154331 1034832344 /nfs/dbraw/zinc/83/23/44/1034832344.db2.gz ABIDDQBJMZJPRQ-GOSISDBHSA-N -1 2 352.862 2.649 20 0 FFADLM C[N@H+]1CC[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229771746 1036885446 /nfs/dbraw/zinc/88/54/46/1036885446.db2.gz PFPVVRRVXUJEIX-AWEZNQCLSA-N -1 2 353.374 2.954 20 0 FFADLM Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001231674709 1037801948 /nfs/dbraw/zinc/80/19/48/1037801948.db2.gz FHVDRLHXRDSMLD-CQSZACIVSA-N -1 2 357.401 2.830 20 0 FFADLM CCOc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213422 1039806594 /nfs/dbraw/zinc/80/65/94/1039806594.db2.gz SKODQPIHUWGJPX-UHFFFAOYSA-N -1 2 374.777 2.772 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc2snnc21 ZINC001260215816 1040467411 /nfs/dbraw/zinc/46/74/11/1040467411.db2.gz ASXSTLRVQKKDGS-UHFFFAOYSA-N -1 2 367.383 2.638 20 0 FFADLM CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001290108994 1047832259 /nfs/dbraw/zinc/83/22/59/1047832259.db2.gz RIZLGXUGKGRCPP-SFHVURJKSA-N -1 2 373.478 2.829 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1Cc2ccc(O)cc2C1 ZINC001345149575 1052292831 /nfs/dbraw/zinc/29/28/31/1052292831.db2.gz ALBDLRLXCSTPSI-UHFFFAOYSA-N -1 2 359.821 2.598 20 0 FFADLM C[C@H](C(=O)[O-])N(C(=O)c1cc(Br)c(F)cc1O)C1CCC1 ZINC001589477207 1080553140 /nfs/dbraw/zinc/55/31/40/1080553140.db2.gz NPKRTLPFLMKQGX-SSDOTTSWSA-N -1 2 360.179 2.762 20 0 FFADLM C[C@H](C(=O)[O-])c1ccc(NS(=O)(=O)c2ccnn2CC2CCC2)cc1 ZINC001589524105 1080581896 /nfs/dbraw/zinc/58/18/96/1080581896.db2.gz XWPNYKUTWUOYPS-LBPRGKRZSA-N -1 2 363.439 2.672 20 0 FFADLM COc1ccc(OCCC[N@H+](C)Cc2nc3ccsc3c(=O)[nH]2)cc1 ZINC000131651933 251007571 /nfs/dbraw/zinc/00/75/71/251007571.db2.gz RHDHEVRYSVSSGM-UHFFFAOYSA-N -1 2 359.451 2.894 20 0 FFADLM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000288652156 257214805 /nfs/dbraw/zinc/21/48/05/257214805.db2.gz YECKXHHKRLFYQX-UHFFFAOYSA-N -1 2 356.227 2.640 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000045713009 507006242 /nfs/dbraw/zinc/00/62/42/507006242.db2.gz ZECNUTSDKCUSMN-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000063180313 507697952 /nfs/dbraw/zinc/69/79/52/507697952.db2.gz MGQAUHGZKWGETB-UHFFFAOYSA-N -1 2 362.772 2.809 20 0 FFADLM CCn1nc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C1CC1 ZINC000267331313 509450531 /nfs/dbraw/zinc/45/05/31/509450531.db2.gz FSDHPRWRVMIYCC-UHFFFAOYSA-N -1 2 369.830 2.933 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)c(F)c1 ZINC000174677334 510245632 /nfs/dbraw/zinc/24/56/32/510245632.db2.gz JMUYDHNMNGVOJY-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM CC(C)(C)[N@@H+]1CC[C@@H](NCc2nc(=O)[nH][nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000282944272 511170595 /nfs/dbraw/zinc/17/05/95/511170595.db2.gz CVTKRMWXKTYAGD-UKRRQHHQSA-N -1 2 367.856 2.594 20 0 FFADLM C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000295065655 511268784 /nfs/dbraw/zinc/26/87/84/511268784.db2.gz UIJNXOWOQLYECZ-ZANVPECISA-N -1 2 359.239 2.706 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323313123 511830806 /nfs/dbraw/zinc/83/08/06/511830806.db2.gz GJPWHYXAOHVEPQ-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM Cc1ccc(F)c(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1 ZINC000439626463 513154335 /nfs/dbraw/zinc/15/43/35/513154335.db2.gz QZVSUGKQEKXHMJ-UHFFFAOYSA-N -1 2 365.382 2.982 20 0 FFADLM COc1cc(SC)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000446636483 513302048 /nfs/dbraw/zinc/30/20/48/513302048.db2.gz GHEJAPBHROVFIL-UHFFFAOYSA-N -1 2 369.420 2.622 20 0 FFADLM C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000448357627 513741357 /nfs/dbraw/zinc/74/13/57/513741357.db2.gz ZIMSCBXZPGEVTH-CVEARBPZSA-N -1 2 353.470 3.386 20 0 FFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436162823 513778206 /nfs/dbraw/zinc/77/82/06/513778206.db2.gz UIQSJEDTSSWUOR-UHFFFAOYSA-N -1 2 355.375 2.643 20 0 FFADLM CCCc1nc(C)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)s1 ZINC000436695529 513948222 /nfs/dbraw/zinc/94/82/22/513948222.db2.gz LYLLQKVNAXQMIQ-UHFFFAOYSA-N -1 2 370.452 2.917 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccccc2OC(C)C)c1 ZINC000436721695 513956781 /nfs/dbraw/zinc/95/67/81/513956781.db2.gz LGLYHKOJAHFFIQ-UHFFFAOYSA-N -1 2 365.407 2.987 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3scnc3c2)c(F)c1 ZINC000438769615 514438815 /nfs/dbraw/zinc/43/88/15/514438815.db2.gz BVSZWSGGFUMOTQ-UHFFFAOYSA-N -1 2 352.368 2.934 20 0 FFADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438772974 514439866 /nfs/dbraw/zinc/43/98/66/514439866.db2.gz RBSDQZXOGCGGCL-UHFFFAOYSA-N -1 2 369.370 2.732 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000479481204 514601183 /nfs/dbraw/zinc/60/11/83/514601183.db2.gz PGQQMMOIMIDMKI-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)ccc1C(=O)[O-] ZINC000507978070 514628547 /nfs/dbraw/zinc/62/85/47/514628547.db2.gz FPDZBMIHLCZAPT-UHFFFAOYSA-N -1 2 351.428 2.737 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C ZINC000480245599 514893895 /nfs/dbraw/zinc/89/38/95/514893895.db2.gz JKDQBJBVVFYFJK-LLVKDONJSA-N -1 2 351.428 2.590 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1F ZINC000489728121 514953063 /nfs/dbraw/zinc/95/30/63/514953063.db2.gz YBMCBLYPRWOJJP-UHFFFAOYSA-N -1 2 373.365 2.782 20 0 FFADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1)C(=O)[O-] ZINC000485394634 515023602 /nfs/dbraw/zinc/02/36/02/515023602.db2.gz JKKDWBJCDGGRNF-NSHDSACASA-N -1 2 371.846 2.528 20 0 FFADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000476416960 515040668 /nfs/dbraw/zinc/04/06/68/515040668.db2.gz VHFWXFUTIJTONV-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c(F)c1 ZINC000499282654 515266432 /nfs/dbraw/zinc/26/64/32/515266432.db2.gz KHXQPZCZHDGQDQ-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c1 ZINC000499339449 515292389 /nfs/dbraw/zinc/29/23/89/515292389.db2.gz DYLPDCIFSCQDOX-UHFFFAOYSA-N -1 2 361.404 2.704 20 0 FFADLM CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(O)c3Br)[C@@H]2C1 ZINC000459347560 515490580 /nfs/dbraw/zinc/49/05/80/515490580.db2.gz CMALGZQVWUVPFV-NFAWXSAZSA-N -1 2 356.260 2.923 20 0 FFADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000478708638 515935005 /nfs/dbraw/zinc/93/50/05/515935005.db2.gz DQQVKEJYDGFVEA-GFCCVEGCSA-N -1 2 363.439 2.808 20 0 FFADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000488392165 516212325 /nfs/dbraw/zinc/21/23/25/516212325.db2.gz QFUNQDGXFJKNRT-LBPRGKRZSA-N -1 2 363.439 2.672 20 0 FFADLM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000547609293 516434024 /nfs/dbraw/zinc/43/40/24/516434024.db2.gz RSDXDSVGUQRAIR-UHFFFAOYSA-N -1 2 354.315 2.541 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)c1C ZINC000525016525 516897416 /nfs/dbraw/zinc/89/74/16/516897416.db2.gz YZZHQHPDPSETPP-UHFFFAOYSA-N -1 2 369.468 2.741 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1C(=O)[O-] ZINC000519155667 516905551 /nfs/dbraw/zinc/90/55/51/516905551.db2.gz LJKNKIZCLNWCKM-UHFFFAOYSA-N -1 2 367.402 2.622 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C)c(C)s2)c(C(=O)[O-])cc1OC ZINC000536901114 516973387 /nfs/dbraw/zinc/97/33/87/516973387.db2.gz PLQPMURPEQMBCF-UHFFFAOYSA-N -1 2 371.436 2.881 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000541306660 516977386 /nfs/dbraw/zinc/97/73/86/516977386.db2.gz PLDFEVUPXVCHRY-GFCCVEGCSA-N -1 2 363.439 2.970 20 0 FFADLM Cc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533169869 517323041 /nfs/dbraw/zinc/32/30/41/517323041.db2.gz IKAIVFLTJZTIHH-UHFFFAOYSA-N -1 2 364.301 2.809 20 0 FFADLM CCc1ccccc1N1CC(=O)C(C(=O)NC2CCC(C(=O)[O-])CC2)=N1 ZINC000563132458 517684186 /nfs/dbraw/zinc/68/41/86/517684186.db2.gz YIKPXHMJBPAGBA-UHFFFAOYSA-N -1 2 357.410 2.514 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C1CC1 ZINC000534237457 517798040 /nfs/dbraw/zinc/79/80/40/517798040.db2.gz PUMCPHZWAIZABH-VIFPVBQESA-N -1 2 352.416 2.559 20 0 FFADLM CC1(C)Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2O1 ZINC000530487176 517805144 /nfs/dbraw/zinc/80/51/44/517805144.db2.gz NSSIXEAFPPEZAE-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM CCn1nc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1C1CC1 ZINC000531162614 518157451 /nfs/dbraw/zinc/15/74/51/518157451.db2.gz LIEJQAVIWPFRCN-UHFFFAOYSA-N -1 2 355.441 2.649 20 0 FFADLM CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000564559868 518502429 /nfs/dbraw/zinc/50/24/29/518502429.db2.gz SUMCKDUTWPFHIN-UHFFFAOYSA-N -1 2 372.830 2.965 20 0 FFADLM C[C@@H](CN(C)C(=O)c1cc(Br)cc(Cl)c1O)C(=O)[O-] ZINC000582181399 518626677 /nfs/dbraw/zinc/62/66/77/518626677.db2.gz VDYQGGNMDQDMJU-LURJTMIESA-N -1 2 350.596 2.601 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000571214933 518982566 /nfs/dbraw/zinc/98/25/66/518982566.db2.gz FPYYDWWLODJKIH-UHFFFAOYSA-N -1 2 350.396 2.596 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000604304140 520513789 /nfs/dbraw/zinc/51/37/89/520513789.db2.gz GNKCSRZKVCLNPH-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000737716649 599814277 /nfs/dbraw/zinc/81/42/77/599814277.db2.gz DACWNPXSJNDLCN-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 ZINC000323931873 600051620 /nfs/dbraw/zinc/05/16/20/600051620.db2.gz ZMBPWQONAQCYLL-UHFFFAOYSA-N -1 2 364.404 2.561 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000738241745 600053592 /nfs/dbraw/zinc/05/35/92/600053592.db2.gz ZGZZRXXHXFFMED-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=C([O-])COc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000739823558 600102073 /nfs/dbraw/zinc/10/20/73/600102073.db2.gz JLDIDXPYADNMPX-UHFFFAOYSA-N -1 2 366.167 2.870 20 0 FFADLM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736195715 600228848 /nfs/dbraw/zinc/22/88/48/600228848.db2.gz GXWNPWXELPKMFR-UHFFFAOYSA-N -1 2 355.318 2.666 20 0 FFADLM CCc1cccc(CC)c1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737266328 600360522 /nfs/dbraw/zinc/36/05/22/600360522.db2.gz APKPUMVPKPDWNT-UHFFFAOYSA-N -1 2 354.453 2.696 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000829441070 601502376 /nfs/dbraw/zinc/50/23/76/601502376.db2.gz QSFVZKGYKITPQC-UHFFFAOYSA-N -1 2 359.404 2.519 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000833345608 601770441 /nfs/dbraw/zinc/77/04/41/601770441.db2.gz FCJLIFKLEKDHKU-UHFFFAOYSA-N -1 2 374.469 2.541 20 0 FFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000321304252 601771827 /nfs/dbraw/zinc/77/18/27/601771827.db2.gz QBSLNTCLIABONV-UHFFFAOYSA-N -1 2 362.379 2.629 20 0 FFADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2)o1 ZINC000833008231 601833751 /nfs/dbraw/zinc/83/37/51/601833751.db2.gz PNDXTRNJSGMJFJ-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000831226372 601859720 /nfs/dbraw/zinc/85/97/20/601859720.db2.gz JYJOMXHIJOEAMY-UHFFFAOYSA-N -1 2 368.342 2.503 20 0 FFADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[nH]n1 ZINC000829216204 602102071 /nfs/dbraw/zinc/10/20/71/602102071.db2.gz KDBYUTBCHCSBNM-VIFPVBQESA-N -1 2 355.391 2.951 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1C(F)(F)F ZINC000832956735 602155699 /nfs/dbraw/zinc/15/56/99/602155699.db2.gz YVNPNHXYAZKSLC-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832886236 602204918 /nfs/dbraw/zinc/20/49/18/602204918.db2.gz ADWRXYOGCIGAJX-UHFFFAOYSA-N -1 2 362.194 2.591 20 0 FFADLM O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2ccccc2F)C1 ZINC000740529555 603182944 /nfs/dbraw/zinc/18/29/44/603182944.db2.gz MSPUFXRZOGKPHD-UHFFFAOYSA-N -1 2 350.371 2.663 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000827718386 603400314 /nfs/dbraw/zinc/40/03/14/603400314.db2.gz ZGXUXUJURNLRRI-SNVBAGLBSA-N -1 2 366.443 2.649 20 0 FFADLM COc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)sc2c1 ZINC000324814569 604498836 /nfs/dbraw/zinc/49/88/36/604498836.db2.gz UFZXTUWKNDKDTA-UHFFFAOYSA-N -1 2 368.392 2.705 20 0 FFADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833660047 604689690 /nfs/dbraw/zinc/68/96/90/604689690.db2.gz BMFQPXACXROYQK-UHFFFAOYSA-N -1 2 356.787 2.633 20 0 FFADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000833741571 605127416 /nfs/dbraw/zinc/12/74/16/605127416.db2.gz SDGYSBKWBQOMQD-UHFFFAOYSA-N -1 2 353.421 2.881 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)cc1C(=O)[O-] ZINC000833750892 605344522 /nfs/dbraw/zinc/34/45/22/605344522.db2.gz GJUCMJDBHWJDAK-UHFFFAOYSA-N -1 2 364.427 2.591 20 0 FFADLM C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821615752 607058723 /nfs/dbraw/zinc/05/87/23/607058723.db2.gz LUEIUKXVQAFGFQ-UHFFFAOYSA-N -1 2 363.400 2.824 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1 ZINC000326990110 729791872 /nfs/dbraw/zinc/79/18/72/729791872.db2.gz MSPYLNMRLCSDGW-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000504268647 729924439 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Cc1cc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc(C(=O)[O-])c1Cl ZINC000759097532 736546947 /nfs/dbraw/zinc/54/69/47/736546947.db2.gz QSXZRWROXDOBTG-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000759113331 736548068 /nfs/dbraw/zinc/54/80/68/736548068.db2.gz BIEKRWPRDQZNCL-UHFFFAOYSA-N -1 2 354.815 2.943 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(OCCF)c2)c1F ZINC000759677030 736586133 /nfs/dbraw/zinc/58/61/33/736586133.db2.gz AQZYKHRVFXBMPZ-UHFFFAOYSA-N -1 2 371.361 2.981 20 0 FFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777599719 738304419 /nfs/dbraw/zinc/30/44/19/738304419.db2.gz KUTGTDUUVZMCCT-UHFFFAOYSA-N -1 2 367.452 2.514 20 0 FFADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)nc1C ZINC000323074286 970964577 /nfs/dbraw/zinc/96/45/77/970964577.db2.gz PKSINUABWHVVKY-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM O=C([O-])c1cncc(NC(=O)c2cc(Br)cc(F)c2O)c1 ZINC001606544735 970306691 /nfs/dbraw/zinc/30/66/91/970306691.db2.gz DPZSOELSHBKFRZ-UHFFFAOYSA-N -1 2 355.119 2.639 20 0 FFADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001592050949 976794228 /nfs/dbraw/zinc/79/42/28/976794228.db2.gz ZXLVDHQCSYLSTB-UHFFFAOYSA-N -1 2 357.819 2.696 20 0 FFADLM CCCc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(C)n1 ZINC001596059025 983366927 /nfs/dbraw/zinc/36/69/27/983366927.db2.gz UZNXVCOZKUOQEU-UHFFFAOYSA-N -1 2 357.819 2.525 20 0 FFADLM CCC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC001594720898 987201000 /nfs/dbraw/zinc/20/10/00/987201000.db2.gz CQLVFMNJUUOYNR-UHFFFAOYSA-N -1 2 351.380 2.934 20 0 FFADLM CCc1cccc(S(=O)(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001597601245 988457826 /nfs/dbraw/zinc/45/78/26/988457826.db2.gz UMOKBNQNYDSHSJ-LLVKDONJSA-N -1 2 366.464 2.696 20 0 FFADLM CCc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1C(C)(C)C ZINC001597685585 988838487 /nfs/dbraw/zinc/83/84/87/988838487.db2.gz SJJRAWRVDVDSNJ-UHFFFAOYSA-N -1 2 357.457 2.830 20 0 FFADLM COc1cccc2c1[nH+]cc(C)c2N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599689310 991041670 /nfs/dbraw/zinc/04/16/70/991041670.db2.gz IURIOKMEHOPMSI-HHGQXBFMSA-N -1 2 370.405 2.554 20 0 FFADLM CC(C)Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)[nH]n1 ZINC001591476987 992595724 /nfs/dbraw/zinc/59/57/24/992595724.db2.gz CTKUVNVATIDETB-UHFFFAOYSA-N -1 2 365.455 2.771 20 0 FFADLM O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000903616393 1016037465 /nfs/dbraw/zinc/03/74/65/1016037465.db2.gz HARKMNRIYDVJKW-UHFFFAOYSA-N -1 2 366.461 2.775 20 0 FFADLM COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001598929242 997711779 /nfs/dbraw/zinc/71/17/79/997711779.db2.gz XNZAAEPJOAQYRB-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COC(=O)c1csc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1C ZINC001599013362 998918055 /nfs/dbraw/zinc/91/80/55/998918055.db2.gz BDKPKVNKKHKGAR-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM COc1c(O)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187591295 1006146653 /nfs/dbraw/zinc/14/66/53/1006146653.db2.gz GWVDEBSKHVRWJF-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM O=c1[nH]c([O-])nc2cc(-c3nc(-c4ccc5nccnc5c4)no3)ccc12 ZINC001217431831 1032732676 /nfs/dbraw/zinc/73/26/76/1032732676.db2.gz ZWYZGEGSUIKFGJ-UHFFFAOYSA-N -1 2 358.317 2.701 20 0 FFADLM O=c1nc2cc(-c3nc(-c4ccc5nccnc5c4)no3)ccc2c([O-])[nH]1 ZINC001217431831 1032732690 /nfs/dbraw/zinc/73/26/90/1032732690.db2.gz ZWYZGEGSUIKFGJ-UHFFFAOYSA-N -1 2 358.317 2.701 20 0 FFADLM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777615019 1018362708 /nfs/dbraw/zinc/36/27/08/1018362708.db2.gz YLYPSCBRGRLXPW-UHFFFAOYSA-N -1 2 371.418 2.945 20 0 FFADLM CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)n1 ZINC001117955563 1021990041 /nfs/dbraw/zinc/99/00/41/1021990041.db2.gz OJOAHCOEWJQJIK-KRWDZBQOSA-N -1 2 370.453 2.888 20 0 FFADLM CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)n1 ZINC001117955563 1021990047 /nfs/dbraw/zinc/99/00/47/1021990047.db2.gz OJOAHCOEWJQJIK-KRWDZBQOSA-N -1 2 370.453 2.888 20 0 FFADLM COCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001122357218 1023213983 /nfs/dbraw/zinc/21/39/83/1023213983.db2.gz FLQXYPQKDJKXFX-LLVKDONJSA-N -1 2 367.885 2.626 20 0 FFADLM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001139162401 1034986753 /nfs/dbraw/zinc/98/67/53/1034986753.db2.gz QIJNIBMWPFTMQY-ZETCQYMHSA-N -1 2 357.197 2.543 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1ccc(F)c(O)c1F)C2 ZINC001232935474 1036170294 /nfs/dbraw/zinc/17/02/94/1036170294.db2.gz LERCUSMHEOTODP-FOIQADDNSA-N -1 2 373.403 2.594 20 0 FFADLM O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)c(O)c2F)N1Cc1cccnc1 ZINC001232935934 1036170765 /nfs/dbraw/zinc/17/07/65/1036170765.db2.gz LTJGGSJDLLDXCS-IAGOWNOFSA-N -1 2 373.403 2.831 20 0 FFADLM Oc1cc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cc(F)c1F ZINC001232970682 1036197102 /nfs/dbraw/zinc/19/71/02/1036197102.db2.gz VOSXBNYALJWCLZ-UHFFFAOYSA-N -1 2 362.424 2.869 20 0 FFADLM Cc1ncc(CO)c(C[N@H+]2CCc3cc(Br)ccc3C2)c1O ZINC001140865075 1036313406 /nfs/dbraw/zinc/31/34/06/1036313406.db2.gz NYYOFAJQZRFADS-UHFFFAOYSA-N -1 2 363.255 2.909 20 0 FFADLM CCOC(=O)[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1 ZINC001234341549 1036992362 /nfs/dbraw/zinc/99/23/62/1036992362.db2.gz ZDYKKMNVVLPQAC-HNNXBMFYSA-N -1 2 352.279 2.841 20 0 FFADLM CCOC(=O)[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1 ZINC001234341549 1036992373 /nfs/dbraw/zinc/99/23/73/1036992373.db2.gz ZDYKKMNVVLPQAC-HNNXBMFYSA-N -1 2 352.279 2.841 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCC3)c(F)cc1Cl ZINC001259220309 1039813449 /nfs/dbraw/zinc/81/34/49/1039813449.db2.gz BWUNSGBWPZECDR-UHFFFAOYSA-N -1 2 371.773 2.913 20 0 FFADLM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001259225267 1039816521 /nfs/dbraw/zinc/81/65/21/1039816521.db2.gz IVWJHEWYKDJYQE-SECBINFHSA-N -1 2 363.716 2.797 20 0 FFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(F)cc2)c1 ZINC001260184162 1040442152 /nfs/dbraw/zinc/44/21/52/1040442152.db2.gz VYZYFVMABQJOKI-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CCOCCCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H](C)CC1 ZINC001263371094 1042267567 /nfs/dbraw/zinc/26/75/67/1042267567.db2.gz USFYCMZMUNOBDW-LBPRGKRZSA-N -1 2 367.885 2.770 20 0 FFADLM CSCCc1ccccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC001302189227 1051058723 /nfs/dbraw/zinc/05/87/23/1051058723.db2.gz HBAGHKONVBZDDA-UHFFFAOYSA-N -1 2 370.434 2.902 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N(C)CCC1CCOCC1 ZINC001358130669 1056154098 /nfs/dbraw/zinc/15/40/98/1056154098.db2.gz UOOAETOMWUHSDI-UHFFFAOYSA-N -1 2 367.885 2.626 20 0 FFADLM CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(-c2nn[nH]n2)c(=O)[nH]1 ZINC001588771641 1080188583 /nfs/dbraw/zinc/18/85/83/1080188583.db2.gz YMTKVIIXDDGJJA-VOTSOKGWSA-N -1 2 372.772 2.583 20 0 FFADLM CC1(C(=O)[O-])CCN(C(=O)c2cc(Br)c(F)cc2O)CC1 ZINC001589193649 1080408654 /nfs/dbraw/zinc/40/86/54/1080408654.db2.gz KVRPVZNZUFXBOS-UHFFFAOYSA-N -1 2 360.179 2.621 20 0 FFADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)c(F)c1 ZINC001589204267 1080416918 /nfs/dbraw/zinc/41/69/18/1080416918.db2.gz RFRZSAPTPGBUJU-UHFFFAOYSA-N -1 2 372.399 2.653 20 0 FFADLM COc1ccccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000410404097 512254930 /nfs/dbraw/zinc/25/49/30/512254930.db2.gz UQOWQSOFMURJCA-UHFFFAOYSA-N -1 2 365.407 2.981 20 0 FFADLM CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042791678 506667076 /nfs/dbraw/zinc/66/70/76/506667076.db2.gz MFTWIGHEJKWKAW-UHFFFAOYSA-N -1 2 368.436 2.822 20 0 FFADLM Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000134662907 508556479 /nfs/dbraw/zinc/55/64/79/508556479.db2.gz FFBINIRLFWJQJT-UHFFFAOYSA-N -1 2 363.421 2.869 20 0 FFADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120315688 508971289 /nfs/dbraw/zinc/97/12/89/508971289.db2.gz JZUHCDWSXYPYBM-UHFFFAOYSA-N -1 2 363.317 2.544 20 0 FFADLM COc1ccc(Br)cc1CNC(=O)c1cccc2[nH]nnc21 ZINC000187616865 510355543 /nfs/dbraw/zinc/35/55/43/510355543.db2.gz JQGIXAZAIZLQGR-UHFFFAOYSA-N -1 2 361.199 2.659 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000327404055 511875967 /nfs/dbraw/zinc/87/59/67/511875967.db2.gz VIVYJLHEQHPORB-UHFFFAOYSA-N -1 2 364.423 2.930 20 0 FFADLM COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000436922065 514035698 /nfs/dbraw/zinc/03/56/98/514035698.db2.gz YLBCFMDIVLBVIM-UHFFFAOYSA-N -1 2 351.380 2.517 20 0 FFADLM CCOc1ccncc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000414379479 514078354 /nfs/dbraw/zinc/07/83/54/514078354.db2.gz GQPORBRYXKOFFA-LBPRGKRZSA-N -1 2 364.423 2.544 20 0 FFADLM CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3ncc(C)s3)c2)n1 ZINC000449325995 514167084 /nfs/dbraw/zinc/16/70/84/514167084.db2.gz RHDCFJBTDQEPAH-UHFFFAOYSA-N -1 2 357.439 2.703 20 0 FFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1Cl ZINC000432636034 514247728 /nfs/dbraw/zinc/24/77/28/514247728.db2.gz AIVNZFMMVHADBL-UHFFFAOYSA-N -1 2 357.771 2.553 20 0 FFADLM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433525264 514509384 /nfs/dbraw/zinc/50/93/84/514509384.db2.gz OGQRECGDJNTXSP-UHFFFAOYSA-N -1 2 351.380 2.680 20 0 FFADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000479479053 514599277 /nfs/dbraw/zinc/59/92/77/514599277.db2.gz HWHBGSZTEKMERS-UHFFFAOYSA-N -1 2 371.798 2.856 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1C(=O)[O-] ZINC000498500466 514933222 /nfs/dbraw/zinc/93/32/22/514933222.db2.gz ISBDMWGUBFHGMT-UHFFFAOYSA-N -1 2 370.402 2.841 20 0 FFADLM CCOc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459297155 515453912 /nfs/dbraw/zinc/45/39/12/515453912.db2.gz NNHUEFWFFSCCOV-UHFFFAOYSA-N -1 2 354.454 2.781 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000463786691 515615165 /nfs/dbraw/zinc/61/51/65/515615165.db2.gz ZLLLUECONNUPTC-UHFFFAOYSA-N -1 2 354.359 2.807 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000511361583 515877203 /nfs/dbraw/zinc/87/72/03/515877203.db2.gz NFLRZFBHOBOLHS-UHFFFAOYSA-N -1 2 374.374 2.849 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000531257838 516376540 /nfs/dbraw/zinc/37/65/40/516376540.db2.gz JYUJKDYXFKXKPM-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2c(OC)cc(OC)cc2C(=O)[O-])s1 ZINC000523982653 516623735 /nfs/dbraw/zinc/62/37/35/516623735.db2.gz YIJQYDUGNXTGHB-UHFFFAOYSA-N -1 2 371.436 2.827 20 0 FFADLM CCCN(CC[NH+]1CCCC1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000513506652 516653472 /nfs/dbraw/zinc/65/34/72/516653472.db2.gz AYEDQFUGOQSWMO-UHFFFAOYSA-N -1 2 359.499 2.967 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1C ZINC000541798794 517220310 /nfs/dbraw/zinc/22/03/10/517220310.db2.gz MNTHBYQXKBGZNG-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(C)o1 ZINC000533166582 517322533 /nfs/dbraw/zinc/32/25/33/517322533.db2.gz QHGSFDVGZFDYRU-UHFFFAOYSA-N -1 2 373.770 2.527 20 0 FFADLM COc1ccsc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000542735438 517709206 /nfs/dbraw/zinc/70/92/06/517709206.db2.gz REYRKTQKUJKNJI-JTQLQIEISA-N -1 2 355.437 2.821 20 0 FFADLM Cc1ccccc1-c1nsc(NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000527882344 517968874 /nfs/dbraw/zinc/96/88/74/517968874.db2.gz CJURSHNCUZQHBT-UHFFFAOYSA-N -1 2 358.511 2.992 20 0 FFADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1(c2ccccc2)CC(=O)C1 ZINC000567035476 518321938 /nfs/dbraw/zinc/32/19/38/518321938.db2.gz GCCJUMTXCLCCJY-UHFFFAOYSA-N -1 2 368.343 2.989 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000569959546 518377606 /nfs/dbraw/zinc/37/76/06/518377606.db2.gz UYALOSOMXQXTAR-UHFFFAOYSA-N -1 2 367.427 2.817 20 0 FFADLM COC[C@@]1(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CCOC1 ZINC000571256226 519002196 /nfs/dbraw/zinc/00/21/96/519002196.db2.gz XFLVOUPBTWXSLX-HNNXBMFYSA-N -1 2 371.224 2.770 20 0 FFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000591681777 519995973 /nfs/dbraw/zinc/99/59/73/519995973.db2.gz MVXKCTCOLCKHLY-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000320910989 600423281 /nfs/dbraw/zinc/42/32/81/600423281.db2.gz DCTWPAUUAXDJSE-UHFFFAOYSA-N -1 2 352.437 2.847 20 0 FFADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000737312255 600892044 /nfs/dbraw/zinc/89/20/44/600892044.db2.gz NBKCLZMWSRODSN-UHFFFAOYSA-N -1 2 356.379 2.550 20 0 FFADLM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])ccc1OC(C)C ZINC000832898922 601485089 /nfs/dbraw/zinc/48/50/89/601485089.db2.gz MHSXMKREZZTWOK-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000829441245 601502426 /nfs/dbraw/zinc/50/24/26/601502426.db2.gz RLTOJLWNYMHXGX-UHFFFAOYSA-N -1 2 359.404 2.519 20 0 FFADLM CC(C)(CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC000826596015 601818400 /nfs/dbraw/zinc/81/84/00/601818400.db2.gz DLPVNJTVFVJTLP-UHFFFAOYSA-N -1 2 350.596 2.649 20 0 FFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(C(F)(F)F)n1 ZINC000833293859 601847972 /nfs/dbraw/zinc/84/79/72/601847972.db2.gz BKYCFYFJBJOPRJ-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM COc1c(Cl)cccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831851758 601859970 /nfs/dbraw/zinc/85/99/70/601859970.db2.gz INMLOGRNLPHCGF-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM C[C@H]1Cc2cc(S(=O)(=O)Nc3csnc3C(=O)[O-])cc(Cl)c2O1 ZINC000828516625 602155080 /nfs/dbraw/zinc/15/50/80/602155080.db2.gz PIJTYEYXCZUXPI-LURJTMIESA-N -1 2 374.827 2.619 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000832919904 602307789 /nfs/dbraw/zinc/30/77/89/602307789.db2.gz ZBJKVPUTRPCNNL-UHFFFAOYSA-N -1 2 351.428 2.806 20 0 FFADLM CN(Cc1ccccc1NS(=O)(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000739717419 602654224 /nfs/dbraw/zinc/65/42/24/602654224.db2.gz YVCYEWARDWEVSM-UHFFFAOYSA-N -1 2 356.350 2.875 20 0 FFADLM Cc1ccsc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740195808 603229801 /nfs/dbraw/zinc/22/98/01/603229801.db2.gz ARSWFMRVCJXBOE-UHFFFAOYSA-N -1 2 352.437 2.893 20 0 FFADLM CC(C)COc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833490745 604687481 /nfs/dbraw/zinc/68/74/81/604687481.db2.gz RUBFYNXTISNNIE-UHFFFAOYSA-N -1 2 350.396 2.615 20 0 FFADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000187747521 729380830 /nfs/dbraw/zinc/38/08/30/729380830.db2.gz SFIDUISORBCBSD-QMMMGPOBSA-N -1 2 371.365 2.631 20 0 FFADLM N#Cc1ccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1O ZINC000188158427 729384937 /nfs/dbraw/zinc/38/49/37/729384937.db2.gz YHYKATZGSVJKAB-UHFFFAOYSA-N -1 2 350.161 2.645 20 0 FFADLM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000753771767 736093049 /nfs/dbraw/zinc/09/30/49/736093049.db2.gz XUVPOIWRXFVCLI-UHFFFAOYSA-N -1 2 351.355 2.836 20 0 FFADLM Cc1c(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cnn1C ZINC000756805307 736362700 /nfs/dbraw/zinc/36/27/00/736362700.db2.gz RUQBFUKULIKYPV-UHFFFAOYSA-N -1 2 364.210 2.534 20 0 FFADLM O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)C1 ZINC001594917567 954773525 /nfs/dbraw/zinc/77/35/25/954773525.db2.gz PGYROQMZXYUROL-GJZGRUSLSA-N -1 2 358.442 2.683 20 0 FFADLM CCOC(=O)c1ccsc1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000391799856 972375264 /nfs/dbraw/zinc/37/52/64/972375264.db2.gz RRZIWCBFWZDKIO-UHFFFAOYSA-N -1 2 369.420 2.565 20 0 FFADLM CCCCC[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001595680542 982154592 /nfs/dbraw/zinc/15/45/92/982154592.db2.gz FXRUISRESMGDQS-ZDUSSCGKSA-N -1 2 365.817 2.995 20 0 FFADLM CCCCC[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001595688195 982182826 /nfs/dbraw/zinc/18/28/26/982182826.db2.gz YBQBXOZXNCKPFS-VIFPVBQESA-N -1 2 350.824 2.517 20 0 FFADLM CCCN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@H](C)C(=O)[O-] ZINC001595831128 982720909 /nfs/dbraw/zinc/72/09/09/982720909.db2.gz IRBGKALLAZJNLU-SNVBAGLBSA-N -1 2 351.790 2.557 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001596120089 983453679 /nfs/dbraw/zinc/45/36/79/983453679.db2.gz CMYRTXVSDPIMDD-UHFFFAOYSA-N -1 2 367.402 2.809 20 0 FFADLM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C)s1 ZINC001597077144 986613080 /nfs/dbraw/zinc/61/30/80/986613080.db2.gz YKSPQGGXGPBQDN-UHFFFAOYSA-N -1 2 356.425 2.658 20 0 FFADLM CCOc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)cn1 ZINC001597137663 986877634 /nfs/dbraw/zinc/87/76/34/986877634.db2.gz PNEIUYXHAFGVPU-UHFFFAOYSA-N -1 2 371.440 2.559 20 0 FFADLM CCC(=O)Nc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001594713246 987180983 /nfs/dbraw/zinc/18/09/83/987180983.db2.gz MLTCYTMUYDRKDQ-UHFFFAOYSA-N -1 2 368.436 2.904 20 0 FFADLM CCc1cccc(CC)c1S(=O)(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001597587149 988409450 /nfs/dbraw/zinc/40/94/50/988409450.db2.gz QOWKAIHAXFLNGR-UHFFFAOYSA-N -1 2 365.455 2.628 20 0 FFADLM CSc1ccccc1S(=O)(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001599825974 988598780 /nfs/dbraw/zinc/59/87/80/988598780.db2.gz BYRLKIMINRLKET-UHFFFAOYSA-N -1 2 353.421 2.922 20 0 FFADLM CN(C)c1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC001598301002 991251071 /nfs/dbraw/zinc/25/10/71/991251071.db2.gz JAEQMPUTQZBXFR-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001598911289 997375199 /nfs/dbraw/zinc/37/51/99/997375199.db2.gz RZIBAYBJNOCMJU-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(C(C)(C)C)n1 ZINC001185876326 1003097610 /nfs/dbraw/zinc/09/76/10/1003097610.db2.gz MCGYPLIOQMGIJK-UHFFFAOYSA-N -1 2 351.428 2.754 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1 ZINC001192109367 1004055547 /nfs/dbraw/zinc/05/55/47/1004055547.db2.gz AIACLEAVGYVPEQ-UHFFFAOYSA-N -1 2 374.340 2.918 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccn3nccc23)c(Cl)cc1F ZINC001193975007 1004623675 /nfs/dbraw/zinc/62/36/75/1004623675.db2.gz QWUYIQJWUHYHQS-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnc(C3CC3)c2)c(F)cc1F ZINC001195202343 1004915485 /nfs/dbraw/zinc/91/54/85/1004915485.db2.gz YNGOOZIJYQELBL-UHFFFAOYSA-N -1 2 354.334 2.736 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)N[C@@H](C2CCC2)C(F)(F)F)c(F)cc1F ZINC001195255527 1004924984 /nfs/dbraw/zinc/92/49/84/1004924984.db2.gz XZULHAWPVAFDJF-NSHDSACASA-N -1 2 373.299 2.672 20 0 FFADLM CC1(C[N@@H+]2CC[C@H](c3ccc(F)cc3)[C@H](NC(=O)C(F)(F)F)C2)COC1 ZINC000852503241 1006057417 /nfs/dbraw/zinc/05/74/17/1006057417.db2.gz SMTNACRECCTBBS-HUUCEWRRSA-N -1 2 374.378 2.699 20 0 FFADLM O=c1[nH]cnc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1Br ZINC001226723053 1034807193 /nfs/dbraw/zinc/80/71/93/1034807193.db2.gz UXBFCUYNKDMNFN-NSHDSACASA-N -1 2 361.199 2.642 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@H+](Cc1ccc(O)c(F)c1F)C2 ZINC001140890823 1036391420 /nfs/dbraw/zinc/39/14/20/1036391420.db2.gz NENXMMBWQBFEEJ-FOIQADDNSA-N -1 2 373.403 2.594 20 0 FFADLM Oc1c(F)cc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1F ZINC001140993094 1036645332 /nfs/dbraw/zinc/64/53/32/1036645332.db2.gz GBUJUQBESNCNOL-UHFFFAOYSA-N -1 2 360.408 2.661 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)c(F)cc1Cl ZINC001259214165 1039808618 /nfs/dbraw/zinc/80/86/18/1039808618.db2.gz FQBYQMBCYMHTEZ-UHFFFAOYSA-N -1 2 369.708 2.570 20 0 FFADLM CC(=O)c1oc2cccnc2c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184420 1040444264 /nfs/dbraw/zinc/44/42/64/1040444264.db2.gz KNMSZMXLKIQJDP-UHFFFAOYSA-N -1 2 360.347 2.529 20 0 FFADLM COc1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001260184354 1040445009 /nfs/dbraw/zinc/44/50/09/1040445009.db2.gz GSACBCYVUAZRFC-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2-c2cnco2)c1 ZINC001260215691 1040466864 /nfs/dbraw/zinc/46/68/64/1040466864.db2.gz RDZHAEFXPDJUMB-UHFFFAOYSA-N -1 2 362.338 2.980 20 0 FFADLM CC(C)(C)OC(=O)Nc1cccc(-c2ccc([P@@](=O)([O-])O)cc2)n1 ZINC001243761205 1045008997 /nfs/dbraw/zinc/00/89/97/1045008997.db2.gz TYBPFSWHVYPNCW-UHFFFAOYSA-N -1 2 350.311 2.899 20 0 FFADLM CC(C)(C)OC(=O)Nc1cccc(-c2ccc([P@](=O)([O-])O)cc2)n1 ZINC001243761205 1045009006 /nfs/dbraw/zinc/00/90/06/1045009006.db2.gz TYBPFSWHVYPNCW-UHFFFAOYSA-N -1 2 350.311 2.899 20 0 FFADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001349673353 1055404135 /nfs/dbraw/zinc/40/41/35/1055404135.db2.gz DZHLSUPCOKSDCX-MNOVXSKESA-N -1 2 363.439 2.636 20 0 FFADLM Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1 ZINC000324930707 258116014 /nfs/dbraw/zinc/11/60/14/258116014.db2.gz XMWSPGUKYRIFCL-UHFFFAOYSA-N -1 2 365.392 2.606 20 0 FFADLM O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCCc2cccc(O)c21 ZINC000329419656 258138223 /nfs/dbraw/zinc/13/82/23/258138223.db2.gz GPQORBHOFKRZMK-UHFFFAOYSA-N -1 2 352.434 2.817 20 0 FFADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000042793773 506669586 /nfs/dbraw/zinc/66/95/86/506669586.db2.gz PIAJILMQLZPYFP-UHFFFAOYSA-N -1 2 350.396 2.542 20 0 FFADLM COc1cc(NS(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])cc1OC ZINC000013087515 506929148 /nfs/dbraw/zinc/92/91/48/506929148.db2.gz DCWAONMDISUJQO-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000110064727 508004921 /nfs/dbraw/zinc/00/49/21/508004921.db2.gz MQPRJLVPJPGVDU-KRWDZBQOSA-N -1 2 359.451 2.520 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1C ZINC000156345096 508405764 /nfs/dbraw/zinc/40/57/64/508405764.db2.gz TUTSJSOVVJIQMI-UHFFFAOYSA-N -1 2 371.846 2.981 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000126800348 509130128 /nfs/dbraw/zinc/13/01/28/509130128.db2.gz IKXBTLAEHPICIR-UHFFFAOYSA-N -1 2 350.396 2.678 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000185568864 509242538 /nfs/dbraw/zinc/24/25/38/509242538.db2.gz DEZMKCFLPIHYAA-UHFFFAOYSA-N -1 2 365.455 2.584 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1 ZINC000182488091 509265972 /nfs/dbraw/zinc/26/59/72/509265972.db2.gz ABALOKQQMZJIDT-UHFFFAOYSA-N -1 2 358.375 2.770 20 0 FFADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000269099818 510233245 /nfs/dbraw/zinc/23/32/45/510233245.db2.gz SSWXGEIMZXNUHU-UHFFFAOYSA-N -1 2 357.819 2.692 20 0 FFADLM CSCCO[N-]C(=O)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000280016511 511305408 /nfs/dbraw/zinc/30/54/08/511305408.db2.gz NNSQWXXMGOWBJU-UHFFFAOYSA-N -1 2 361.345 2.621 20 0 FFADLM Cc1noc(C)c1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000274087386 511715278 /nfs/dbraw/zinc/71/52/78/511715278.db2.gz RIVKZOWJLHCICO-UHFFFAOYSA-N -1 2 370.452 2.967 20 0 FFADLM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000316757321 511802471 /nfs/dbraw/zinc/80/24/71/511802471.db2.gz AVUGBEHQHBCRIL-UHFFFAOYSA-N -1 2 362.772 2.809 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])cn1 ZINC000274924854 511989171 /nfs/dbraw/zinc/98/91/71/511989171.db2.gz NOCRDSJQRJHKBZ-UHFFFAOYSA-N -1 2 369.468 2.579 20 0 FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1O ZINC000436540826 513890121 /nfs/dbraw/zinc/89/01/21/513890121.db2.gz QXZFHMFRRRTRQC-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)s1 ZINC000436691097 513946459 /nfs/dbraw/zinc/94/64/59/513946459.db2.gz SPBMWPYYOSISNA-UHFFFAOYSA-N -1 2 370.452 2.917 20 0 FFADLM O=C([O-])c1cccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1O ZINC000436995146 514068209 /nfs/dbraw/zinc/06/82/09/514068209.db2.gz PHBWHSANPLCCBF-UHFFFAOYSA-N -1 2 350.327 2.512 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000444420278 514224882 /nfs/dbraw/zinc/22/48/82/514224882.db2.gz QZNCRFIYGYLNCZ-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1 ZINC000444420278 514224887 /nfs/dbraw/zinc/22/48/87/514224887.db2.gz QZNCRFIYGYLNCZ-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000467758355 515106104 /nfs/dbraw/zinc/10/61/04/515106104.db2.gz IBQLCCNFCGSRQN-UHFFFAOYSA-N -1 2 354.384 2.517 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000509590510 515246927 /nfs/dbraw/zinc/24/69/27/515246927.db2.gz MLBUYXOTNHYSPT-UHFFFAOYSA-N -1 2 367.402 2.721 20 0 FFADLM O=c1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459393053 515522409 /nfs/dbraw/zinc/52/24/09/515522409.db2.gz XTSBJVUZEKOKJM-UHFFFAOYSA-N -1 2 365.412 2.706 20 0 FFADLM O=c1[n-]c(-c2cc(NS(=O)(=O)c3ccoc3)cc(C(F)(F)F)c2)n[nH]1 ZINC000506609504 515931011 /nfs/dbraw/zinc/93/10/11/515931011.db2.gz CKBIMWKYLSGWOV-UHFFFAOYSA-N -1 2 374.300 2.590 20 0 FFADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507021726 516056240 /nfs/dbraw/zinc/05/62/40/516056240.db2.gz LCQISUHBQHAQFS-UHFFFAOYSA-N -1 2 374.777 2.772 20 0 FFADLM CCc1ncc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000460798836 516251693 /nfs/dbraw/zinc/25/16/93/516251693.db2.gz XPCNLJJTHXSLMW-UHFFFAOYSA-N -1 2 354.453 2.869 20 0 FFADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512771210 516353397 /nfs/dbraw/zinc/35/33/97/516353397.db2.gz KNKNOTAYLYFASL-UHFFFAOYSA-N -1 2 353.371 2.950 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)ccc1[N+](=O)[O-] ZINC000547499680 516375349 /nfs/dbraw/zinc/37/53/49/516375349.db2.gz SXKYWUWQYKYYPH-UHFFFAOYSA-N -1 2 361.335 2.575 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000541076582 516861247 /nfs/dbraw/zinc/86/12/47/516861247.db2.gz BIOHCKCBPVMYPP-UHFFFAOYSA-N -1 2 374.374 2.849 20 0 FFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000538298579 517549114 /nfs/dbraw/zinc/54/91/14/517549114.db2.gz NWJFJBUPDPEXFS-SNVBAGLBSA-N -1 2 351.428 2.970 20 0 FFADLM CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000553160945 517551556 /nfs/dbraw/zinc/55/15/56/517551556.db2.gz NZAJGPFVIKDEKI-UHFFFAOYSA-N -1 2 351.428 2.607 20 0 FFADLM CC1(C)CCc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2O1 ZINC000530147696 517592444 /nfs/dbraw/zinc/59/24/44/517592444.db2.gz HXPQOIZXESAUIX-UHFFFAOYSA-N -1 2 350.396 2.617 20 0 FFADLM CC[C@H](C)CS(=O)(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000577105690 518916561 /nfs/dbraw/zinc/91/65/61/518916561.db2.gz DBCGDCZVLUJPPS-JOYOIKCWSA-N -1 2 353.362 2.954 20 0 FFADLM O=c1cc(C[NH+]2CCN(c3nccs3)CC2)nc(-c2ccccc2)[nH]1 ZINC000572097878 519440407 /nfs/dbraw/zinc/44/04/07/519440407.db2.gz SZTPJTAGGDFFHA-UHFFFAOYSA-N -1 2 353.451 2.628 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000604305759 520513491 /nfs/dbraw/zinc/51/34/91/520513491.db2.gz RCCFSTNZPRQTMG-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM CCN1CCc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc21 ZINC000072760110 599801067 /nfs/dbraw/zinc/80/10/67/599801067.db2.gz WUAYBXUTFMHGOH-UHFFFAOYSA-N -1 2 352.437 2.630 20 0 FFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000737717167 599814578 /nfs/dbraw/zinc/81/45/78/599814578.db2.gz INWYKVIWHWDAMJ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736403232 600054755 /nfs/dbraw/zinc/05/47/55/600054755.db2.gz CXDDLDSIJOBOEY-LBPRGKRZSA-N -1 2 351.428 2.989 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738324627 600244450 /nfs/dbraw/zinc/24/44/50/600244450.db2.gz YCAOWUNRTJKZDA-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM CN(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737385192 600423478 /nfs/dbraw/zinc/42/34/78/600423478.db2.gz CEENUMRAXPDVIJ-UHFFFAOYSA-N -1 2 356.350 2.530 20 0 FFADLM CCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000743262460 601484537 /nfs/dbraw/zinc/48/45/37/601484537.db2.gz YMLBLRHOKRLJFK-UHFFFAOYSA-N -1 2 361.782 2.585 20 0 FFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000833348480 601492866 /nfs/dbraw/zinc/49/28/66/601492866.db2.gz WKGOJGMUMLTUKT-UHFFFAOYSA-N -1 2 367.383 2.572 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)ccc1C(=O)[O-] ZINC000323801810 601501918 /nfs/dbraw/zinc/50/19/18/601501918.db2.gz JDWSXADDVKACQT-UHFFFAOYSA-N -1 2 355.441 2.544 20 0 FFADLM CSCCc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000832766718 601839962 /nfs/dbraw/zinc/83/99/62/601839962.db2.gz JAKVDQUFIIMCHC-UHFFFAOYSA-N -1 2 358.466 2.548 20 0 FFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(SC(F)F)c1 ZINC000833346250 601840200 /nfs/dbraw/zinc/84/02/00/601840200.db2.gz MEQQQNFOFIIQGN-UHFFFAOYSA-N -1 2 366.392 2.957 20 0 FFADLM CC1(C)Cc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])cs3)ccc2O1 ZINC000828082545 602115326 /nfs/dbraw/zinc/11/53/26/602115326.db2.gz QFNRDRJEVHBFEJ-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)cc1F ZINC000759165770 602307581 /nfs/dbraw/zinc/30/75/81/602307581.db2.gz WATMQKMOLSIGDJ-UHFFFAOYSA-N -1 2 363.725 2.823 20 0 FFADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739777186 602645436 /nfs/dbraw/zinc/64/54/36/602645436.db2.gz CYQFFLPJPGRBHK-UHFFFAOYSA-N -1 2 368.367 2.574 20 0 FFADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)cc1F ZINC000830055080 604262458 /nfs/dbraw/zinc/26/24/58/604262458.db2.gz OGZZXTIVCWLIFF-UHFFFAOYSA-N -1 2 356.350 2.842 20 0 FFADLM CCc1nc(NS(=O)(=O)/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833675788 604991661 /nfs/dbraw/zinc/99/16/61/604991661.db2.gz SOIWCLKUDUTFAO-BQYQJAHWSA-N -1 2 356.400 2.955 20 0 FFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCC(F)F)n1 ZINC000833747799 605027268 /nfs/dbraw/zinc/02/72/68/605027268.db2.gz JZWAGVAFZKQBMX-UHFFFAOYSA-N -1 2 372.349 2.533 20 0 FFADLM Cc1ccc(Br)c(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000833747451 605117888 /nfs/dbraw/zinc/11/78/88/605117888.db2.gz PJJQVCJTWOPDFN-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC(C)(C)O1 ZINC000824985252 609358570 /nfs/dbraw/zinc/35/85/70/609358570.db2.gz UDTZVBWNBAHQGW-JTQLQIEISA-N -1 2 366.263 2.629 20 0 FFADLM C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC(C)(C)O1 ZINC000824985252 609358571 /nfs/dbraw/zinc/35/85/71/609358571.db2.gz UDTZVBWNBAHQGW-JTQLQIEISA-N -1 2 366.263 2.629 20 0 FFADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000326063643 729789560 /nfs/dbraw/zinc/78/95/60/729789560.db2.gz DYSOPZZTKYYKQZ-UHFFFAOYSA-N -1 2 357.334 2.863 20 0 FFADLM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cccc2c1OCO2 ZINC000669837734 733275980 /nfs/dbraw/zinc/27/59/80/733275980.db2.gz ZNEIZCQRTQEHNF-UHFFFAOYSA-N -1 2 369.782 2.876 20 0 FFADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1CC(C)C ZINC000677417692 733944342 /nfs/dbraw/zinc/94/43/42/733944342.db2.gz NNKJIYKKQMHDSE-UHFFFAOYSA-N -1 2 357.457 2.662 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000681567016 734005070 /nfs/dbraw/zinc/00/50/70/734005070.db2.gz RATNPWZOUSNDGL-UHFFFAOYSA-N -1 2 365.455 2.661 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000684558656 734246734 /nfs/dbraw/zinc/24/67/34/734246734.db2.gz RRAYKNZDUHHHFO-UHFFFAOYSA-N -1 2 369.830 2.754 20 0 FFADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnc(Cl)n1C ZINC000765059864 737077715 /nfs/dbraw/zinc/07/77/15/737077715.db2.gz FDBBUQAIJUXPSA-UHFFFAOYSA-N -1 2 357.819 2.696 20 0 FFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2C)c1F ZINC000788491568 739249897 /nfs/dbraw/zinc/24/98/97/739249897.db2.gz ROXBSKQYAHOVMZ-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM COCc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC000827843960 744988054 /nfs/dbraw/zinc/98/80/54/744988054.db2.gz ICPYELLVUUGEJG-MFKMUULPSA-N -1 2 350.406 2.783 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000324727518 971151645 /nfs/dbraw/zinc/15/16/45/971151645.db2.gz HSSLCIJSVJMQQB-UHFFFAOYSA-N -1 2 354.340 2.612 20 0 FFADLM Cc1nc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2o1 ZINC000325579359 971228325 /nfs/dbraw/zinc/22/83/25/971228325.db2.gz OZEQOXQAMCQDJL-UHFFFAOYSA-N -1 2 350.327 2.774 20 0 FFADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000325865177 971249517 /nfs/dbraw/zinc/24/95/17/971249517.db2.gz GVCBBZMDCACFFJ-UHFFFAOYSA-N -1 2 369.420 2.651 20 0 FFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1C(=O)[O-] ZINC000391779513 972371636 /nfs/dbraw/zinc/37/16/36/972371636.db2.gz QJASYQDYAGDSGD-UHFFFAOYSA-N -1 2 354.340 2.612 20 0 FFADLM O=C([O-])c1ccc(CS(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000321174257 970749616 /nfs/dbraw/zinc/74/96/16/970749616.db2.gz RTGKIASLPILUBS-UHFFFAOYSA-N -1 2 352.437 2.662 20 0 FFADLM COc1cc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)ccc1OC(C)C ZINC000878352704 1014997261 /nfs/dbraw/zinc/99/72/61/1014997261.db2.gz NAZXLTRHYDAOGY-ZDUSSCGKSA-N -1 2 373.453 2.902 20 0 FFADLM CCc1nc(NC(=O)c2ncc(Br)cc2O)sc1C(=O)[O-] ZINC001597685406 988834066 /nfs/dbraw/zinc/83/40/66/988834066.db2.gz OLSCMGBLNANEKE-UHFFFAOYSA-N -1 2 372.200 2.519 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)[nH]n1 ZINC001590363321 989821885 /nfs/dbraw/zinc/82/18/85/989821885.db2.gz SJNRRZNOELUOSU-UHFFFAOYSA-N -1 2 370.365 2.797 20 0 FFADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001590363321 989821894 /nfs/dbraw/zinc/82/18/94/989821894.db2.gz SJNRRZNOELUOSU-UHFFFAOYSA-N -1 2 370.365 2.797 20 0 FFADLM CCn1nc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597944310 989924534 /nfs/dbraw/zinc/92/45/34/989924534.db2.gz DZMZNRVIAQIVBF-UHFFFAOYSA-N -1 2 361.782 2.503 20 0 FFADLM COc1cccc(S(=O)(=O)Nc2cc(C)sc2C(=O)[O-])c1OC ZINC001599684478 990964325 /nfs/dbraw/zinc/96/43/25/990964325.db2.gz PVXRKLPKBVWZCL-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM CN(C)c1cccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001598341915 991405861 /nfs/dbraw/zinc/40/58/61/991405861.db2.gz AFPUNTSMSPOVRZ-UHFFFAOYSA-N -1 2 367.452 2.586 20 0 FFADLM CC(C)CCc1nnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC001591269493 992184838 /nfs/dbraw/zinc/18/48/38/992184838.db2.gz BXZFNTGODWTVSL-UHFFFAOYSA-N -1 2 373.431 2.765 20 0 FFADLM COC(=O)[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001598692600 995088795 /nfs/dbraw/zinc/08/87/95/995088795.db2.gz QTWVADBROZRCAQ-SECBINFHSA-N -1 2 369.420 2.524 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)n(C)n1 ZINC001196060617 1003645838 /nfs/dbraw/zinc/64/58/38/1003645838.db2.gz JTACWKWAMSDXNA-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM COc1cc(Cl)nc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192113153 1004056613 /nfs/dbraw/zinc/05/66/13/1004056613.db2.gz JPGKUWBSVJYHHC-UHFFFAOYSA-N -1 2 370.814 2.562 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ocnc3c2)c(F)cc1F ZINC001195227684 1004920984 /nfs/dbraw/zinc/92/09/84/1004920984.db2.gz VZBIDCLPNCGQCG-UHFFFAOYSA-N -1 2 354.290 2.605 20 0 FFADLM COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1OC ZINC000827851261 1018783870 /nfs/dbraw/zinc/78/38/70/1018783870.db2.gz RZZSJBQHEJTRHN-RISCZKNCSA-N -1 2 374.403 2.901 20 0 FFADLM O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1c(F)ccc(O)c1F)C2 ZINC001233395041 1036595473 /nfs/dbraw/zinc/59/54/73/1036595473.db2.gz JXCFFQQIOLPIMX-QRWLVFNGSA-N -1 2 373.403 2.594 20 0 FFADLM Oc1c(F)cc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cc1F ZINC001140993061 1036644759 /nfs/dbraw/zinc/64/47/59/1036644759.db2.gz FFNVRTGPJTUTAD-UHFFFAOYSA-N -1 2 362.424 2.869 20 0 FFADLM CCOC(=O)[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1 ZINC001234333778 1036989785 /nfs/dbraw/zinc/98/97/85/1036989785.db2.gz ZDYKKMNVVLPQAC-OAHLLOKOSA-N -1 2 352.279 2.841 20 0 FFADLM CCOC(=O)[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1 ZINC001234333778 1036989795 /nfs/dbraw/zinc/98/97/95/1036989795.db2.gz ZDYKKMNVVLPQAC-OAHLLOKOSA-N -1 2 352.279 2.841 20 0 FFADLM C[C@@H]1C[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234341137 1036991910 /nfs/dbraw/zinc/99/19/10/1036991910.db2.gz XMXPDQBGBMURIZ-BXUZGUMPSA-N -1 2 373.342 2.935 20 0 FFADLM C[C@@H]1C[C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)CN1C(=O)OC(C)(C)C ZINC001234341137 1036991918 /nfs/dbraw/zinc/99/19/18/1036991918.db2.gz XMXPDQBGBMURIZ-BXUZGUMPSA-N -1 2 373.342 2.935 20 0 FFADLM C[C@H]1CC[C@@H](COc2nc(=O)[nH]c3c2CC[N@H+](Cc2ccccc2)C3)O1 ZINC001230188065 1037134147 /nfs/dbraw/zinc/13/41/47/1037134147.db2.gz GALMYMMWRWBCCI-HOCLYGCPSA-N -1 2 355.438 2.687 20 0 FFADLM C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4c(F)ccc(O)c4F)nc3c2)CC1 ZINC001251335827 1039074690 /nfs/dbraw/zinc/07/46/90/1039074690.db2.gz SCZYNOXHAIVIKB-UHFFFAOYSA-N -1 2 372.375 2.601 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259214030 1039808286 /nfs/dbraw/zinc/80/82/86/1039808286.db2.gz YTQOXQIORRBBDF-UHFFFAOYSA-N -1 2 358.778 2.936 20 0 FFADLM CCn1ncc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc21 ZINC001260216143 1040469394 /nfs/dbraw/zinc/46/93/94/1040469394.db2.gz UGQIGUHPWCGYNS-UHFFFAOYSA-N -1 2 363.370 2.694 20 0 FFADLM Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221720 1040473773 /nfs/dbraw/zinc/47/37/73/1040473773.db2.gz POYSSOVETZNRQG-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM CN1CC[NH+](Cc2cccc(-c3noc(-c4ccc(O)c(F)c4)n3)c2)CC1 ZINC001215792315 1041883366 /nfs/dbraw/zinc/88/33/66/1041883366.db2.gz OJOWTAKPGXENOH-UHFFFAOYSA-N -1 2 368.412 2.996 20 0 FFADLM CC(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCOC2(CCCC2)C1 ZINC001344517511 1052814210 /nfs/dbraw/zinc/81/42/10/1052814210.db2.gz BOMKEKPXFQUABW-UHFFFAOYSA-N -1 2 365.869 2.522 20 0 FFADLM CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001475617118 1061167550 /nfs/dbraw/zinc/16/75/50/1061167550.db2.gz HVTHGZJWRBFWQD-CYBMUJFWSA-N -1 2 371.915 2.836 20 0 FFADLM C[C@H](NS(=O)(=O)c1cc(O)cc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001561495707 1076384527 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BBXTZWMCWDTVOV-UHFFFAOYSA-N -1 2 364.398 2.925 20 0 FFADLM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)n1 ZINC000660749562 972739049 /nfs/dbraw/zinc/73/90/49/972739049.db2.gz YGWRUDUGNAQBKX-UHFFFAOYSA-N -1 2 354.454 2.511 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1C ZINC001595025690 979131211 /nfs/dbraw/zinc/13/12/11/979131211.db2.gz BADWLLHJJRRFHG-MRVPVSSYSA-N -1 2 372.834 2.710 20 0 FFADLM O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc2[nH][nH]c(=O)c2c1 ZINC000668414347 980311887 /nfs/dbraw/zinc/31/18/87/980311887.db2.gz AMPVRTUPEWOMHV-UHFFFAOYSA-N -1 2 365.437 2.974 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC001595728678 982361515 /nfs/dbraw/zinc/36/15/15/982361515.db2.gz WYPBCRPHYZNOME-UHFFFAOYSA-N -1 2 373.431 2.909 20 0 FFADLM CCCCc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nc1 ZINC001595796846 982604078 /nfs/dbraw/zinc/60/40/78/982604078.db2.gz JJUIOJYLSGPBCC-UHFFFAOYSA-N -1 2 367.402 2.766 20 0 FFADLM CCCc1csc(NS(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])n1 ZINC001596074734 983389813 /nfs/dbraw/zinc/38/98/13/983389813.db2.gz KHGXJUYQGPBKOM-UHFFFAOYSA-N -1 2 370.452 2.532 20 0 FFADLM CCCc1ccccc1S(=O)(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC001596082682 983402575 /nfs/dbraw/zinc/40/25/75/983402575.db2.gz XELQMOPBJHGJDZ-UHFFFAOYSA-N -1 2 365.455 2.728 20 0 FFADLM CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878435271 1015042822 /nfs/dbraw/zinc/04/28/22/1015042822.db2.gz FPLGCUBCRIWUOZ-CYBMUJFWSA-N -1 2 359.426 2.996 20 0 FFADLM CCc1[nH]c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)c1C(=O)[O-] ZINC001597355009 987499984 /nfs/dbraw/zinc/49/99/84/987499984.db2.gz WTJMRMDTRYDCAP-UHFFFAOYSA-N -1 2 374.422 2.566 20 0 FFADLM CCc1nc(NS(=O)(=O)c2cc(F)c(C)cc2F)sc1C(=O)[O-] ZINC001597685381 988832945 /nfs/dbraw/zinc/83/29/45/988832945.db2.gz LVNLZRRIVWJGQF-UHFFFAOYSA-N -1 2 362.379 2.791 20 0 FFADLM Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)c1 ZINC000673712213 989187888 /nfs/dbraw/zinc/18/78/88/989187888.db2.gz YFLFREFSVFHRJS-UHFFFAOYSA-N -1 2 354.450 2.846 20 0 FFADLM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC001599653192 994537423 /nfs/dbraw/zinc/53/74/23/994537423.db2.gz HPLKTKIFGXYEQO-SFHVURJKSA-N -1 2 365.332 2.799 20 0 FFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000677847758 1016585804 /nfs/dbraw/zinc/58/58/04/1016585804.db2.gz OOGTWCGRTCMAIT-UHFFFAOYSA-N -1 2 367.814 2.815 20 0 FFADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000677997086 1016699691 /nfs/dbraw/zinc/69/96/91/1016699691.db2.gz IIAAJNSNHGWFBB-UHFFFAOYSA-N -1 2 371.846 2.697 20 0 FFADLM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000794332725 1003610518 /nfs/dbraw/zinc/61/05/18/1003610518.db2.gz XPOLPYUAPHGXLZ-PWSUYJOCSA-N -1 2 360.414 2.574 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC001192106733 1004054588 /nfs/dbraw/zinc/05/45/88/1004054588.db2.gz PAZLZUOFNSAJGJ-UHFFFAOYSA-N -1 2 365.455 2.765 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccccc3C(=O)[O-])n(C)n2)cc1 ZINC001198749934 1004721716 /nfs/dbraw/zinc/72/17/16/1004721716.db2.gz KNMYOJCBLHMGLU-UHFFFAOYSA-N -1 2 371.418 2.895 20 0 FFADLM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001201765845 1005263726 /nfs/dbraw/zinc/26/37/26/1005263726.db2.gz WHEUSHGLRCQNNR-UHFFFAOYSA-N -1 2 370.843 2.797 20 0 FFADLM CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(O)c1Br ZINC001140549042 1035610733 /nfs/dbraw/zinc/61/07/33/1035610733.db2.gz DLIISDMYDKRAPF-MRXNPFEDSA-N -1 2 353.260 2.742 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(F)s2)c(F)cc1Cl ZINC001259212329 1039804854 /nfs/dbraw/zinc/80/48/54/1039804854.db2.gz FGWRNIYQYHHFOS-UHFFFAOYSA-N -1 2 354.743 2.574 20 0 FFADLM Cc1ccc(F)c(S(=O)(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001259637958 1040125713 /nfs/dbraw/zinc/12/57/13/1040125713.db2.gz CXERHCANYHAVAP-UHFFFAOYSA-N -1 2 373.427 2.798 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001260183854 1040442205 /nfs/dbraw/zinc/44/22/05/1040442205.db2.gz DWXDZAVWXQXHKG-UHFFFAOYSA-N -1 2 371.418 2.988 20 0 FFADLM O=S(=O)(Nc1cnc(Cl)cn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868782 1040857723 /nfs/dbraw/zinc/85/77/23/1040857723.db2.gz JXLBKKOMDYRVKR-UHFFFAOYSA-N -1 2 354.602 2.943 20 0 FFADLM Clc1nc(-c2nnc(N3CCc4ccsc4C3)n2CC2CC2)n[nH]1 ZINC001263741998 1042460947 /nfs/dbraw/zinc/46/09/47/1042460947.db2.gz FLZZXBXLUIJVLG-UHFFFAOYSA-N -1 2 361.862 2.751 20 0 FFADLM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NOCc1ccc(F)cc1Br ZINC001588634771 1080131218 /nfs/dbraw/zinc/13/12/18/1080131218.db2.gz UOWFHRWLXRMQMF-LLVKDONJSA-N -1 2 362.195 2.883 20 0 FFADLM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Br)cc(F)c1O ZINC001589303105 1080473072 /nfs/dbraw/zinc/47/30/72/1080473072.db2.gz OFIBBVYQLYHBKT-YUMQZZPRSA-N -1 2 360.179 2.619 20 0 FFADLM C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cscc2-c2nn[nH]n2)CC1 ZINC001590054380 1080982783 /nfs/dbraw/zinc/98/27/83/1080982783.db2.gz RPZLWNHBEMNNTI-NSHDSACASA-N -1 2 374.495 2.509 20 0 FFADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000280994702 256593298 /nfs/dbraw/zinc/59/32/98/256593298.db2.gz NBBIOPMUGAPWMF-UHFFFAOYSA-N -1 2 357.819 2.696 20 0 FFADLM O=C(NC[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1)C(F)(F)F ZINC000289485821 257283396 /nfs/dbraw/zinc/28/33/96/257283396.db2.gz ONAYDQLWQHRUAM-LLVKDONJSA-N -1 2 357.332 2.825 20 0 FFADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000038853394 506446864 /nfs/dbraw/zinc/44/68/64/506446864.db2.gz XEFURDTUILNQLG-UHFFFAOYSA-N -1 2 364.379 2.803 20 0 FFADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000055551199 506775428 /nfs/dbraw/zinc/77/54/28/506775428.db2.gz YLHYBDGGDHXCKT-UHFFFAOYSA-N -1 2 369.420 2.732 20 0 FFADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055570320 506782221 /nfs/dbraw/zinc/78/22/21/506782221.db2.gz QJBNDBDZWHAARI-UHFFFAOYSA-N -1 2 351.428 2.659 20 0 FFADLM Cc1nn2cccnc2c1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000102468218 508276180 /nfs/dbraw/zinc/27/61/80/508276180.db2.gz HALNYWFOVPBIAN-UHFFFAOYSA-N -1 2 353.773 2.729 20 0 FFADLM Cc1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000161819431 509156125 /nfs/dbraw/zinc/15/61/25/509156125.db2.gz LLCJCQFZHAUTMR-UHFFFAOYSA-N -1 2 374.422 2.625 20 0 FFADLM Cn1cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1C(=O)[O-] ZINC000164990829 509550512 /nfs/dbraw/zinc/55/05/12/509550512.db2.gz MKHAKPOOTJLTHG-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM CCn1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000266628344 510697637 /nfs/dbraw/zinc/69/76/37/510697637.db2.gz UYYAKKPMUPEKEU-UHFFFAOYSA-N -1 2 357.819 2.672 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)[nH]n2)o1 ZINC000446650065 513306091 /nfs/dbraw/zinc/30/60/91/513306091.db2.gz XLICVUODTKVURR-UHFFFAOYSA-N -1 2 365.342 2.616 20 0 FFADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)n[nH]2)o1 ZINC000446650065 513306096 /nfs/dbraw/zinc/30/60/96/513306096.db2.gz XLICVUODTKVURR-UHFFFAOYSA-N -1 2 365.342 2.616 20 0 FFADLM Cc1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1C(=O)[O-] ZINC000436005777 513735075 /nfs/dbraw/zinc/73/50/75/513735075.db2.gz HTIOYGPHNLLRTR-UHFFFAOYSA-N -1 2 369.402 2.951 20 0 FFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c1 ZINC000438765114 514437738 /nfs/dbraw/zinc/43/77/38/514437738.db2.gz MXORECZZCYTDSD-UHFFFAOYSA-N -1 2 371.798 2.867 20 0 FFADLM CSCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433517500 514507602 /nfs/dbraw/zinc/50/76/02/514507602.db2.gz MGMTYQHHQJHCRG-UHFFFAOYSA-N -1 2 367.448 2.797 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000480226466 514888722 /nfs/dbraw/zinc/88/87/22/514888722.db2.gz ONXRXQUFCMGBKZ-VIFPVBQESA-N -1 2 355.391 2.801 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1F ZINC000489553076 514892525 /nfs/dbraw/zinc/89/25/25/514892525.db2.gz CNCLIDCFGFNHMW-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1F ZINC000489553076 514892537 /nfs/dbraw/zinc/89/25/37/514892537.db2.gz CNCLIDCFGFNHMW-UHFFFAOYSA-N -1 2 361.354 2.715 20 0 FFADLM Cc1cc(C[NH+]2CCN(Cc3cccc(O)c3Br)CC2)on1 ZINC000459303657 515457891 /nfs/dbraw/zinc/45/78/91/515457891.db2.gz LPUPPBGOEPADMU-UHFFFAOYSA-N -1 2 366.259 2.769 20 0 FFADLM OCC[N@@H+](CCOCC(F)(F)F)Cc1cccc(O)c1Br ZINC000459347902 515490912 /nfs/dbraw/zinc/49/09/12/515490912.db2.gz MMAFCOUOOKTNEB-UHFFFAOYSA-N -1 2 372.181 2.528 20 0 FFADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000478685774 515925488 /nfs/dbraw/zinc/92/54/88/515925488.db2.gz OKEZSEXZYZFTRP-VIFPVBQESA-N -1 2 353.375 2.628 20 0 FFADLM O=C(Nc1nc(-c2cccs2)cs1)c1cnc2nc([O-])[nH]c(=O)c2c1 ZINC000512132213 516165792 /nfs/dbraw/zinc/16/57/92/516165792.db2.gz QXNRWHRVMKGICI-UHFFFAOYSA-N -1 2 371.403 2.873 20 0 FFADLM O=C(Nc1nc(-c2cccs2)cs1)c1cnc2nc(=O)[nH]c([O-])c2c1 ZINC000512132213 516165797 /nfs/dbraw/zinc/16/57/97/516165797.db2.gz QXNRWHRVMKGICI-UHFFFAOYSA-N -1 2 371.403 2.873 20 0 FFADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000488361416 516205473 /nfs/dbraw/zinc/20/54/73/516205473.db2.gz AXDQLVJMRRVFCP-SNVBAGLBSA-N -1 2 367.402 2.801 20 0 FFADLM COCc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512732179 516339163 /nfs/dbraw/zinc/33/91/63/516339163.db2.gz CBTKXQXOZGQSJF-UHFFFAOYSA-N -1 2 353.371 2.780 20 0 FFADLM N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000547547118 516402112 /nfs/dbraw/zinc/40/21/12/516402112.db2.gz LECOJULMJSULOZ-UHFFFAOYSA-N -1 2 372.736 2.989 20 0 FFADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000548769397 517204133 /nfs/dbraw/zinc/20/41/33/517204133.db2.gz VDXCDQDJIIRYDB-UHFFFAOYSA-N -1 2 364.276 2.739 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cs2)cc1C(=O)[O-] ZINC000533069153 517277289 /nfs/dbraw/zinc/27/72/89/517277289.db2.gz GXMJBQIYQZOZPY-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000545829421 517384160 /nfs/dbraw/zinc/38/41/60/517384160.db2.gz HFTNCUXDUYJEFC-UHFFFAOYSA-N -1 2 351.428 2.509 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c[nH]1 ZINC000542735665 517709240 /nfs/dbraw/zinc/70/92/40/517709240.db2.gz SUGIGIMIONXCJO-UHFFFAOYSA-N -1 2 351.167 2.526 20 0 FFADLM O=c1cc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)nc(C2CC2)[nH]1 ZINC000576604705 518674652 /nfs/dbraw/zinc/67/46/52/518674652.db2.gz SSKSNTNWZVAVLW-HXUWFJFHSA-N -1 2 351.406 2.670 20 0 FFADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])c1 ZINC000587994574 518695261 /nfs/dbraw/zinc/69/52/61/518695261.db2.gz AYMFJVPNGTWRLD-UHFFFAOYSA-N -1 2 357.409 2.573 20 0 FFADLM O=C(Nc1ccccc1O)C1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000565932735 519202212 /nfs/dbraw/zinc/20/22/12/519202212.db2.gz AWSQQEIYBIGQHM-UHFFFAOYSA-N -1 2 358.467 2.972 20 0 FFADLM C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@H]1C(=O)[O-] ZINC000566224965 519379668 /nfs/dbraw/zinc/37/96/68/519379668.db2.gz NAAVQCSVSSMFJJ-HZGVNTEJSA-N -1 2 362.607 2.601 20 0 FFADLM CCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000614888331 521184245 /nfs/dbraw/zinc/18/42/45/521184245.db2.gz PPYWEHZWQYUVLG-UHFFFAOYSA-N -1 2 352.412 2.703 20 0 FFADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630422346 522835876 /nfs/dbraw/zinc/83/58/76/522835876.db2.gz GANLRNKNUMGTQV-QWHCGFSZSA-N -1 2 352.437 2.749 20 0 FFADLM O=C([O-])c1sccc1NS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000740289281 599753352 /nfs/dbraw/zinc/75/33/52/599753352.db2.gz IEZVMOWIYLXLQI-UHFFFAOYSA-N -1 2 363.829 2.610 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c1C(=O)[O-] ZINC000738745651 599886083 /nfs/dbraw/zinc/88/60/83/599886083.db2.gz SZTJYEDSADMNKI-UHFFFAOYSA-N -1 2 365.455 2.816 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1 ZINC000739886717 600247471 /nfs/dbraw/zinc/24/74/71/600247471.db2.gz WFGGQAYBJWQPTP-UHFFFAOYSA-N -1 2 360.313 2.528 20 0 FFADLM CN(Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000737486735 600300957 /nfs/dbraw/zinc/30/09/57/600300957.db2.gz WAMQHCSDSODWLN-UHFFFAOYSA-N -1 2 356.350 2.875 20 0 FFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1 ZINC000739888265 600473169 /nfs/dbraw/zinc/47/31/69/600473169.db2.gz CBXLIMPYFFOPGM-UHFFFAOYSA-N -1 2 354.434 2.786 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000220893574 601320634 /nfs/dbraw/zinc/32/06/34/601320634.db2.gz QARYUOFTNHSBTR-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM CC(C)Cc1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000326608162 601501815 /nfs/dbraw/zinc/50/18/15/601501815.db2.gz MKJGPBXFUIUODY-YVMONPNESA-N -1 2 367.452 2.635 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C(=O)[O-] ZINC000832973175 601502777 /nfs/dbraw/zinc/50/27/77/601502777.db2.gz YGLNWGDYMDYGJG-UHFFFAOYSA-N -1 2 355.441 2.544 20 0 FFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 ZINC000833297201 601502853 /nfs/dbraw/zinc/50/28/53/601502853.db2.gz LACMSEBBULXDJM-UHFFFAOYSA-N -1 2 359.816 2.568 20 0 FFADLM CC(=O)c1cccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000325380932 601770794 /nfs/dbraw/zinc/77/07/94/601770794.db2.gz WRVMVDLPJHFYNW-UHFFFAOYSA-N -1 2 368.436 2.554 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000759677038 601855689 /nfs/dbraw/zinc/85/56/89/601855689.db2.gz BBMSJCJZFRPOKX-UHFFFAOYSA-N -1 2 357.334 2.673 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cs1 ZINC000833306476 602307167 /nfs/dbraw/zinc/30/71/67/602307167.db2.gz WWHUCDUBEDHXEF-UHFFFAOYSA-N -1 2 367.433 2.766 20 0 FFADLM O=C([O-])N1CCc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C1 ZINC000740530073 602491119 /nfs/dbraw/zinc/49/11/19/602491119.db2.gz KWLHUJFBHQNTCB-UHFFFAOYSA-N -1 2 368.361 2.802 20 0 FFADLM C[C@H](CC(=O)Nc1nc(-c2cccs2)n[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824711391 604333326 /nfs/dbraw/zinc/33/33/26/604333326.db2.gz WGCZVUMRJLEZHH-GHMZBOCLSA-N -1 2 363.443 2.888 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cccc3cnccc32)n1 ZINC000833244113 604626146 /nfs/dbraw/zinc/62/61/46/604626146.db2.gz RZDYTCFHQWXQTE-UHFFFAOYSA-N -1 2 363.420 2.509 20 0 FFADLM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000326029847 729759819 /nfs/dbraw/zinc/75/98/19/729759819.db2.gz STQPMDRVHKGWRC-UHFFFAOYSA-N -1 2 366.782 2.719 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc(C(=O)[O-])c1 ZINC000507554754 729926704 /nfs/dbraw/zinc/92/67/04/729926704.db2.gz VKRNAFPMJJVJAX-UHFFFAOYSA-N -1 2 357.391 2.680 20 0 FFADLM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000656757438 731642061 /nfs/dbraw/zinc/64/20/61/731642061.db2.gz QRTNHSJONZJWCN-KGLIPLIRSA-N -1 2 353.344 2.957 20 0 FFADLM COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753783094 736094493 /nfs/dbraw/zinc/09/44/93/736094493.db2.gz MNHSXVCGCRICIR-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1)C(=O)[O-] ZINC000766371007 737223581 /nfs/dbraw/zinc/22/35/81/737223581.db2.gz QIGLSRFCQFXQBB-LLVKDONJSA-N -1 2 371.846 2.528 20 0 FFADLM COc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000768283073 737410798 /nfs/dbraw/zinc/41/07/98/737410798.db2.gz MBCCLLKIEACQQR-UHFFFAOYSA-N -1 2 359.762 2.987 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)s1 ZINC000321546666 970782106 /nfs/dbraw/zinc/78/21/06/970782106.db2.gz DJFYFAROQCYLFZ-UHFFFAOYSA-N -1 2 352.437 2.847 20 0 FFADLM CC(C)c1oncc1NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001592108628 976895258 /nfs/dbraw/zinc/89/52/58/976895258.db2.gz SFWZHWKJDSDLCB-UHFFFAOYSA-N -1 2 352.412 2.961 20 0 FFADLM CCCC[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001595637913 981937896 /nfs/dbraw/zinc/93/78/96/981937896.db2.gz YPGHZUWPNUUVNL-LBPRGKRZSA-N -1 2 351.790 2.605 20 0 FFADLM CCCCn1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(C)n1 ZINC001595808866 982636306 /nfs/dbraw/zinc/63/63/06/982636306.db2.gz CCDUFHXTKIHDAD-UHFFFAOYSA-N -1 2 369.418 2.559 20 0 FFADLM CCc1[nH]c(C(=O)Nc2nccc(Br)c2O)c(C)c1C(=O)[O-] ZINC001597373873 987559584 /nfs/dbraw/zinc/55/95/84/987559584.db2.gz BXGJXTKVAZTUSP-UHFFFAOYSA-N -1 2 368.187 2.699 20 0 FFADLM O=C(NCC[C@@H]1CN(CCCn2cc[nH+]c2)c2ccccc21)C(F)(F)F ZINC000879470619 1015552351 /nfs/dbraw/zinc/55/23/51/1015552351.db2.gz PRHWNDHVMCLTRE-CQSZACIVSA-N -1 2 366.387 2.946 20 0 FFADLM COc1cccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1F ZINC001599684103 990958869 /nfs/dbraw/zinc/95/88/69/990958869.db2.gz GJSOFPBFIBWUFY-LLVKDONJSA-N -1 2 367.398 2.898 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(cccc3O)s2)ccc1F ZINC001186133597 1003194813 /nfs/dbraw/zinc/19/48/13/1003194813.db2.gz OYDUKKXLQQJOEP-UHFFFAOYSA-N -1 2 368.367 2.640 20 0 FFADLM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1O ZINC001193059010 1004370566 /nfs/dbraw/zinc/37/05/66/1004370566.db2.gz MYQDCPVJHWPEIT-UHFFFAOYSA-N -1 2 356.227 2.782 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH+]ccn32)c(Cl)cc1F ZINC001193965904 1004620726 /nfs/dbraw/zinc/62/07/26/1004620726.db2.gz VPVQMYZYMBKTEP-UHFFFAOYSA-N -1 2 369.761 2.626 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3=O)c(F)cc1F ZINC001195234890 1004912436 /nfs/dbraw/zinc/91/24/36/1004912436.db2.gz SJWIONCZFYKTCY-UHFFFAOYSA-N -1 2 367.329 2.593 20 0 FFADLM COc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195235010 1004912664 /nfs/dbraw/zinc/91/26/64/1004912664.db2.gz WGGCFXSWVYVCQH-UHFFFAOYSA-N -1 2 357.334 2.781 20 0 FFADLM CC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195245290 1004922830 /nfs/dbraw/zinc/92/28/30/1004922830.db2.gz PIKLYXMYOUQHOU-UHFFFAOYSA-N -1 2 369.345 2.975 20 0 FFADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(C(C)C)n1 ZINC001188276381 1006498522 /nfs/dbraw/zinc/49/85/22/1006498522.db2.gz AOJSMNGOPRBRIU-UHFFFAOYSA-N -1 2 357.819 2.925 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nccc3cnccc32)ccc1Cl ZINC001188280052 1006500660 /nfs/dbraw/zinc/50/06/60/1006500660.db2.gz XVTWXPWLJXDYCC-UHFFFAOYSA-N -1 2 363.782 2.782 20 0 FFADLM COc1ccccc1CO[N-]C(=O)C1=NN(c2ccccc2F)CC1=O ZINC000799095719 1031646960 /nfs/dbraw/zinc/64/69/60/1031646960.db2.gz HCZAVQAULKYGAY-UHFFFAOYSA-N -1 2 357.341 2.587 20 0 FFADLM C[N@@H+](Cc1ccc(F)c(O)c1F)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001232940983 1036172967 /nfs/dbraw/zinc/17/29/67/1036172967.db2.gz QQENWGKVVXAFLY-JYAVWHMHSA-N -1 2 354.397 2.968 20 0 FFADLM O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001232970736 1036197798 /nfs/dbraw/zinc/19/77/98/1036197798.db2.gz WOYKYAIRHIQMQY-AWEZNQCLSA-N -1 2 350.409 2.941 20 0 FFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(C)n1 ZINC001259212804 1039804606 /nfs/dbraw/zinc/80/46/06/1039804606.db2.gz ZOPLPXWULRLHNA-UHFFFAOYSA-N -1 2 358.778 2.990 20 0 FFADLM Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183336 1040442335 /nfs/dbraw/zinc/44/23/35/1040442335.db2.gz LGDGGPWIZQTRRP-UHFFFAOYSA-N -1 2 357.391 2.586 20 0 FFADLM O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001242162650 1044693137 /nfs/dbraw/zinc/69/31/37/1044693137.db2.gz IEIOFBRQHJCDOI-UHFFFAOYSA-N -1 2 359.353 2.721 20 0 FFADLM FC1(F)CCN(c2nnc(-c3n[nH]c(Cl)n3)n2Cc2ccccc2)C1 ZINC001342287302 1050878764 /nfs/dbraw/zinc/87/87/64/1050878764.db2.gz LTNXZCLHMWUTHZ-UHFFFAOYSA-N -1 2 365.775 2.610 20 0 FFADLM CCC[C@H]1CCCN1c1nnc(-c2n[nH]c(Cl)n2)n1CCCOCC ZINC001342575077 1051179889 /nfs/dbraw/zinc/17/98/89/1051179889.db2.gz PIDDFIYGIHXJDZ-LBPRGKRZSA-N -1 2 367.885 2.912 20 0 FFADLM O=S(=O)(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(F)c1F ZINC001464356219 1062564726 /nfs/dbraw/zinc/56/47/26/1062564726.db2.gz DRZJQJJEXFCIPD-HNNXBMFYSA-N -1 2 363.389 2.881 20 0 FFADLM O=C([N-]OCc1ccc(F)cc1)C1=NN(c2ccc(F)cc2F)CC1=O ZINC001567454800 1077029567 /nfs/dbraw/zinc/02/95/67/1077029567.db2.gz HKBMDYVXKYIXLL-UHFFFAOYSA-N -1 2 363.295 2.857 20 0 FFADLM CC(C)c1nnc(C[NH+]2CCC(c3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC001589777875 1080733287 /nfs/dbraw/zinc/73/32/87/1080733287.db2.gz QMMZGRFATYLMGM-UHFFFAOYSA-N -1 2 353.430 2.753 20 0 FFADLM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000192604739 251293571 /nfs/dbraw/zinc/29/35/71/251293571.db2.gz JHXXLTJDYXWIFS-CYBMUJFWSA-N -1 2 354.410 2.567 20 0 FFADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000288137865 257151380 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CCc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000137324830 508751568 /nfs/dbraw/zinc/75/15/68/508751568.db2.gz GMQCHYOQPHVWGJ-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc(Cl)c1F ZINC000375647481 512437061 /nfs/dbraw/zinc/43/70/61/512437061.db2.gz PZMKDDPKXPYUGZ-UHFFFAOYSA-N -1 2 373.793 2.511 20 0 FFADLM CC(C)CCn1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000164640128 509521523 /nfs/dbraw/zinc/52/15/23/509521523.db2.gz LPEYMCXVVUOSMG-UHFFFAOYSA-N -1 2 365.455 2.747 20 0 FFADLM Cc1ccc(-c2ncccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000189746987 509731249 /nfs/dbraw/zinc/73/12/49/509731249.db2.gz UAGJKUBHURJIRB-UHFFFAOYSA-N -1 2 363.420 2.946 20 0 FFADLM COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000324896600 511841564 /nfs/dbraw/zinc/84/15/64/511841564.db2.gz PCCHEUKNCJKIOU-UHFFFAOYSA-N -1 2 352.412 2.820 20 0 FFADLM COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000326489538 511858672 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FFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436017742 513737248 /nfs/dbraw/zinc/73/72/48/513737248.db2.gz ZGQDOVGRVZPETR-UHFFFAOYSA-N -1 2 355.375 2.643 20 0 FFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c(F)c1 ZINC000425941862 513803793 /nfs/dbraw/zinc/80/37/93/513803793.db2.gz KMJYHTSIPFQETB-UHFFFAOYSA-N -1 2 363.366 2.844 20 0 FFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000436646845 513928280 /nfs/dbraw/zinc/92/82/80/513928280.db2.gz HSPRJFGVNALNAG-UHFFFAOYSA-N -1 2 360.347 2.546 20 0 FFADLM C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(F)cc(Br)c3O)C2)C1 ZINC000452157861 514221311 /nfs/dbraw/zinc/22/13/11/514221311.db2.gz YKZVRPZZDVHVFP-MRXNPFEDSA-N -1 2 371.250 2.852 20 0 FFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c1 ZINC000444419664 514224507 /nfs/dbraw/zinc/22/45/07/514224507.db2.gz ARQUSRAWCGSRAG-UHFFFAOYSA-N -1 2 367.383 2.776 20 0 FFADLM COc1ccc([C@H](CNC(=O)C(=O)c2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000438797337 514444229 /nfs/dbraw/zinc/44/42/29/514444229.db2.gz YWQCQSHDIDPYMG-IBGZPJMESA-N -1 2 368.433 2.537 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438820822 514448717 /nfs/dbraw/zinc/44/87/17/514448717.db2.gz RGUOSMNUXPPPAB-UHFFFAOYSA-N -1 2 373.390 2.584 20 0 FFADLM CC(C)(CCNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)C(=O)[O-] ZINC000424386384 514468655 /nfs/dbraw/zinc/46/86/55/514468655.db2.gz VNACOGLSJPOAIA-UHFFFAOYSA-N -1 2 368.846 2.903 20 0 FFADLM CC(C)OCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433502873 514505921 /nfs/dbraw/zinc/50/59/21/514505921.db2.gz RWDKWWUSCAKVFF-UHFFFAOYSA-N -1 2 365.407 2.816 20 0 FFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507923494 514612218 /nfs/dbraw/zinc/61/22/18/514612218.db2.gz UPLOIZFJSVXRRB-UHFFFAOYSA-N -1 2 368.411 2.621 20 0 FFADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000471131170 514764900 /nfs/dbraw/zinc/76/49/00/514764900.db2.gz ARXMKBYYAJXAJT-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC000480241358 514891948 /nfs/dbraw/zinc/89/19/48/514891948.db2.gz MUEIOOQGFRAJNH-SECBINFHSA-N -1 2 355.391 2.801 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc2[nH]ncc21 ZINC000499269357 515263489 /nfs/dbraw/zinc/26/34/89/515263489.db2.gz CIERQURJUODXRV-UHFFFAOYSA-N -1 2 371.418 2.859 20 0 FFADLM Cc1nc(-c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)cc(=O)[nH]1 ZINC000509920151 515368753 /nfs/dbraw/zinc/36/87/53/515368753.db2.gz QBHRYEYJPRJIQZ-UHFFFAOYSA-N -1 2 352.398 2.566 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000481623457 515406458 /nfs/dbraw/zinc/40/64/58/515406458.db2.gz SEZFCJREOADWRK-UHFFFAOYSA-N -1 2 351.428 2.737 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)s2)c(C(=O)[O-])c1 ZINC000496068274 516231310 /nfs/dbraw/zinc/23/13/10/516231310.db2.gz FPGKNOAGZWQGKV-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM COc1cc(S(=O)(=O)Nc2ccc(C)cc2O)c(Cl)cc1C(=O)[O-] ZINC000539943610 516365469 /nfs/dbraw/zinc/36/54/69/516365469.db2.gz SFSWYBZPMXVJHF-UHFFFAOYSA-N -1 2 371.798 2.862 20 0 FFADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000525012770 516895586 /nfs/dbraw/zinc/89/55/86/516895586.db2.gz OCIVMBWTVWYLBN-UHFFFAOYSA-N -1 2 373.818 2.625 20 0 FFADLM CCCc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C(=O)[O-])c1 ZINC000525522405 517066531 /nfs/dbraw/zinc/06/65/31/517066531.db2.gz GDKGPHNRSMCHDJ-UHFFFAOYSA-N -1 2 351.428 2.916 20 0 FFADLM Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)sc1C(=O)[O-] ZINC000549938566 517795011 /nfs/dbraw/zinc/79/50/11/517795011.db2.gz XTYWQPPRSADGOL-UHFFFAOYSA-N -1 2 364.351 2.552 20 0 FFADLM Cc1c(F)cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000564971306 518722236 /nfs/dbraw/zinc/72/22/36/518722236.db2.gz WKOGUHAEFPFUPX-UHFFFAOYSA-N -1 2 355.391 2.585 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1C(C)C ZINC000573674390 518780128 /nfs/dbraw/zinc/78/01/28/518780128.db2.gz ZNPQRWVHZQJJEN-UHFFFAOYSA-N -1 2 351.428 2.888 20 0 FFADLM CCC[C@@H]1C[NH2+]CCN1C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000576942020 518839225 /nfs/dbraw/zinc/83/92/25/518839225.db2.gz RLYLZWJKTZFPIB-QGZVFWFLSA-N -1 2 356.470 2.915 20 0 FFADLM CC(C)O[C@@H]1CC[N@H+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000566172260 519349827 /nfs/dbraw/zinc/34/98/27/519349827.db2.gz BWNGGSJTJLOTDS-OAHLLOKOSA-N -1 2 353.426 2.520 20 0 FFADLM COC1CC(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000629958458 522546961 /nfs/dbraw/zinc/54/69/61/522546961.db2.gz BPCZMEZHODPWRS-UHFFFAOYSA-N -1 2 369.194 2.737 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000821216877 597739606 /nfs/dbraw/zinc/73/96/06/597739606.db2.gz RNTDOKFJZKXZBB-UHFFFAOYSA-N -1 2 365.455 2.584 20 0 FFADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736403231 600054789 /nfs/dbraw/zinc/05/47/89/600054789.db2.gz CXDDLDSIJOBOEY-GFCCVEGCSA-N -1 2 351.428 2.989 20 0 FFADLM Cc1noc(C(F)(F)F)c1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833021509 600966254 /nfs/dbraw/zinc/96/62/54/600966254.db2.gz SLLIHBYEILDCKJ-UHFFFAOYSA-N -1 2 364.305 2.513 20 0 FFADLM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc12 ZINC000738955438 601117102 /nfs/dbraw/zinc/11/71/02/601117102.db2.gz QDQGZKGXBKEBRR-UHFFFAOYSA-N -1 2 367.770 2.684 20 0 FFADLM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000833149902 601387253 /nfs/dbraw/zinc/38/72/53/601387253.db2.gz BPTCHGSZXDBUGN-OAHLLOKOSA-N -1 2 360.316 2.577 20 0 FFADLM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])ccc1C(F)(F)F ZINC000832898524 601484908 /nfs/dbraw/zinc/48/49/08/601484908.db2.gz IUSZOIMORYZFEJ-UHFFFAOYSA-N -1 2 366.342 2.969 20 0 FFADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000829373059 601501656 /nfs/dbraw/zinc/50/16/56/601501656.db2.gz DJZNYXNNCDNRHO-UHFFFAOYSA-N -1 2 373.431 2.909 20 0 FFADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000833347161 601603161 /nfs/dbraw/zinc/60/31/61/601603161.db2.gz VNVLWAWGKVSBTI-UHFFFAOYSA-N -1 2 368.314 2.541 20 0 FFADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000225420304 601829341 /nfs/dbraw/zinc/82/93/41/601829341.db2.gz AIHVKJUPWNSNFA-UHFFFAOYSA-N -1 2 356.787 2.551 20 0 FFADLM Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832900152 601836960 /nfs/dbraw/zinc/83/69/60/601836960.db2.gz ZTZXYHIIJOPIQQ-UHFFFAOYSA-N -1 2 356.425 2.738 20 0 FFADLM CCCCc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[nH]n1 ZINC000829431070 602103162 /nfs/dbraw/zinc/10/31/62/602103162.db2.gz TXAUNUPHLVQRRR-UHFFFAOYSA-N -1 2 357.819 2.905 20 0 FFADLM Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[nH]nc1C1CC1 ZINC000832853785 602103967 /nfs/dbraw/zinc/10/39/67/602103967.db2.gz VGGPXVXMUZWZNF-UHFFFAOYSA-N -1 2 355.803 2.748 20 0 FFADLM O=C([O-])N1CCc2cc(NS(=O)(=O)c3cccc(F)c3F)ccc21 ZINC000740530517 602244385 /nfs/dbraw/zinc/24/43/85/602244385.db2.gz ZQQDFJOMRVTLBA-UHFFFAOYSA-N -1 2 354.334 2.806 20 0 FFADLM CC1(C)Cc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2O1 ZINC000828078333 602309318 /nfs/dbraw/zinc/30/93/18/602309318.db2.gz INAKCKFBWQPSHK-UHFFFAOYSA-N -1 2 353.421 2.961 20 0 FFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000825449740 603403204 /nfs/dbraw/zinc/40/32/04/603403204.db2.gz XRDWSKWQBPMPJI-NSHDSACASA-N -1 2 352.416 2.593 20 0 FFADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000833243435 604623359 /nfs/dbraw/zinc/62/33/59/604623359.db2.gz GDJRXCSABRFWTI-UHFFFAOYSA-N -1 2 352.846 2.676 20 0 FFADLM CC(C)c1nnc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC000833512492 605134620 /nfs/dbraw/zinc/13/46/20/605134620.db2.gz YWOSJWVHVRPPTB-UHFFFAOYSA-N -1 2 367.452 2.579 20 0 FFADLM COc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000745977994 735456084 /nfs/dbraw/zinc/45/60/84/735456084.db2.gz LCYQEKSDTSQEIC-UHFFFAOYSA-N -1 2 361.297 2.612 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000078975122 728306671 /nfs/dbraw/zinc/30/66/71/728306671.db2.gz HIFZUFKVYQBJMP-UHFFFAOYSA-N -1 2 361.354 2.510 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cccc3ccc(C)nc32)cc1C(=O)[O-] ZINC000327619086 729793306 /nfs/dbraw/zinc/79/33/06/729793306.db2.gz NSUNIAQYNPBYKL-UHFFFAOYSA-N -1 2 359.407 2.864 20 0 FFADLM CCn1cc(S(=O)(=O)Nc2cccc(Cl)c2OC)cc1C(=O)[O-] ZINC000504222312 729924106 /nfs/dbraw/zinc/92/41/06/729924106.db2.gz CSVUDXDIILACLE-UHFFFAOYSA-N -1 2 358.803 2.669 20 0 FFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000742231676 735213257 /nfs/dbraw/zinc/21/32/57/735213257.db2.gz CDKHJDBHEDKBAJ-UHFFFAOYSA-N -1 2 373.381 2.858 20 0 FFADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000776536660 738203941 /nfs/dbraw/zinc/20/39/41/738203941.db2.gz LCNZVQNTMRVOMH-WPRPVWTQSA-N -1 2 373.780 2.769 20 0 FFADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000790421688 739451810 /nfs/dbraw/zinc/45/18/10/739451810.db2.gz YQTYWILRSTVBPE-QMMMGPOBSA-N -1 2 373.381 2.940 20 0 FFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794774376 739928624 /nfs/dbraw/zinc/92/86/24/739928624.db2.gz FOZXBFNLSAYOLX-UFBFGSQYSA-N -1 2 357.394 2.526 20 0 FFADLM CC(C)(C)n1cc(C(=O)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cn1 ZINC000479766341 887618387 /nfs/dbraw/zinc/61/83/87/887618387.db2.gz LWKSFVXTFZCGOZ-UHFFFAOYSA-N -1 2 374.351 2.523 20 0 FFADLM O=C([O-])C1(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)CCSCC1 ZINC001594872694 954366683 /nfs/dbraw/zinc/36/66/83/954366683.db2.gz VLYREOKAVZQQPV-UHFFFAOYSA-N -1 2 366.830 2.662 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000140739393 958971912 /nfs/dbraw/zinc/97/19/12/958971912.db2.gz FMFJYAQPXVCGAR-UHFFFAOYSA-N -1 2 358.375 2.742 20 0 FFADLM CC(C)c1cccnc1NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001592004462 976668508 /nfs/dbraw/zinc/66/85/08/976668508.db2.gz REIFQVBRJXNQRI-UHFFFAOYSA-N -1 2 352.387 2.772 20 0 FFADLM C[C@@H]1[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)CC[N@H+]1CC=C(Cl)Cl ZINC001088646221 982121843 /nfs/dbraw/zinc/12/18/43/982121843.db2.gz IKTMRWZOFWTZOX-KOLCDFICSA-N -1 2 371.268 2.571 20 0 FFADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001595952358 983127746 /nfs/dbraw/zinc/12/77/46/983127746.db2.gz MADSRTIWEKCIRJ-UHFFFAOYSA-N -1 2 368.386 2.817 20 0 FFADLM CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878435272 1015041648 /nfs/dbraw/zinc/04/16/48/1015041648.db2.gz FPLGCUBCRIWUOZ-ZDUSSCGKSA-N -1 2 359.426 2.996 20 0 FFADLM CCc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1OC ZINC001597557162 988295575 /nfs/dbraw/zinc/29/55/75/988295575.db2.gz ZOGBWYWQMUUTAK-UHFFFAOYSA-N -1 2 353.396 2.966 20 0 FFADLM CSc1ccc(NS(=O)(=O)c2cnn(C3CCC3)c2)cc1C(=O)[O-] ZINC001599819683 988490058 /nfs/dbraw/zinc/49/00/58/988490058.db2.gz CTCVIBAZDRHFOU-UHFFFAOYSA-N -1 2 367.452 2.829 20 0 FFADLM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c(O)c1 ZINC001590492785 990092247 /nfs/dbraw/zinc/09/22/47/990092247.db2.gz BCKCDEZPHRCRRD-UHFFFAOYSA-N -1 2 350.396 2.584 20 0 FFADLM CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001590494184 990099377 /nfs/dbraw/zinc/09/93/77/990099377.db2.gz WHLPVVLMMCLXFY-UHFFFAOYSA-N -1 2 350.396 2.584 20 0 FFADLM COc1cccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1F ZINC001599684104 990958353 /nfs/dbraw/zinc/95/83/53/990958353.db2.gz GJSOFPBFIBWUFY-NSHDSACASA-N -1 2 367.398 2.898 20 0 FFADLM COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599689312 991041234 /nfs/dbraw/zinc/04/12/34/991041234.db2.gz IURIOKMEHOPMSI-JGOZLAPISA-N -1 2 370.405 2.554 20 0 FFADLM COc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599582516 993570565 /nfs/dbraw/zinc/57/05/65/993570565.db2.gz BEMSYSFANMZRSJ-UHFFFAOYSA-N -1 2 374.415 2.913 20 0 FFADLM CC1(C)CCc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)c2O1 ZINC001593916705 996822167 /nfs/dbraw/zinc/82/21/67/996822167.db2.gz XMBURVGTDXDOSG-UHFFFAOYSA-N -1 2 362.407 2.684 20 0 FFADLM COCc1nc(NS(=O)(=O)/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC001599304238 997286241 /nfs/dbraw/zinc/28/62/41/997286241.db2.gz YMNYQCPZGCDXFY-VOTSOKGWSA-N -1 2 372.399 2.539 20 0 FFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)ccc1F ZINC001186144065 1003197484 /nfs/dbraw/zinc/19/74/84/1003197484.db2.gz VTCKZWBZXDGFFZ-UHFFFAOYSA-N -1 2 370.305 2.800 20 0 FFADLM Cc1cc(NC(=O)NCc2ccc(O)c(Br)c2)c(C)c[nH+]1 ZINC000678098674 1016783268 /nfs/dbraw/zinc/78/32/68/1016783268.db2.gz NBPNQRPQNYKUHK-UHFFFAOYSA-N -1 2 350.216 2.910 20 0 FFADLM CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(CC)c(Cl)c1O ZINC001195977483 1003623160 /nfs/dbraw/zinc/62/31/60/1003623160.db2.gz WIMYKMDMSHVPSA-UHFFFAOYSA-N -1 2 356.227 2.566 20 0 FFADLM Cc1ncc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195269 1004914119 /nfs/dbraw/zinc/91/41/19/1004914119.db2.gz VBCCNMNLUCUZPK-UHFFFAOYSA-N -1 2 362.741 2.821 20 0 FFADLM O=S(=O)([O-])c1cccc(NS(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187206639 1005976694 /nfs/dbraw/zinc/97/66/94/1005976694.db2.gz GIUXAICFBHJSRW-UHFFFAOYSA-N -1 2 373.477 2.674 20 0 FFADLM Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4ccc(F)c(O)c4F)C[C@@H]3C2)nn1 ZINC001232933154 1036166713 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2.704 20 0 FFADLM O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)c1ccc(F)cc1F ZINC001256109744 1038388961 /nfs/dbraw/zinc/38/89/61/1038388961.db2.gz DJMZPHYJHLJIAQ-CQSZACIVSA-N -1 2 370.396 2.657 20 0 FFADLM O=c1cc(COCc2ccccc2)[nH]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245925938 1039147809 /nfs/dbraw/zinc/14/78/09/1039147809.db2.gz XLHGHYPMDFPWEB-UHFFFAOYSA-N -1 2 360.391 2.541 20 0 FFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C(C)(C)C)n1 ZINC001260209989 1040464619 /nfs/dbraw/zinc/46/46/19/1040464619.db2.gz ZOIIGNZHFVFFNM-UHFFFAOYSA-N -1 2 355.391 2.585 20 0 FFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc3[nH]c(=O)ccc23)c1 ZINC001260215674 1040466635 /nfs/dbraw/zinc/46/66/35/1040466635.db2.gz PZMRGTBQLZZHMT-UHFFFAOYSA-N -1 2 362.338 2.579 20 0 FFADLM CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(F)ccc(O)c1F ZINC001279499221 1043193138 /nfs/dbraw/zinc/19/31/38/1043193138.db2.gz YAIHZQYNLVLWQW-OKILXGFUSA-N -1 2 362.424 2.736 20 0 FFADLM Cc1cccc(C[N@H+]2CCO[C@@H](CNCc3c(F)ccc(O)c3F)C2)c1 ZINC001308904983 1052515591 /nfs/dbraw/zinc/51/55/91/1052515591.db2.gz ZUGZJYCAPDEZTC-INIZCTEOSA-N -1 2 362.420 2.969 20 0 FFADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000067124860 506763793 /nfs/dbraw/zinc/76/37/93/506763793.db2.gz ZEZXJCZUKHOBCJ-UHFFFAOYSA-N -1 2 362.772 2.809 20 0 FFADLM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000057125649 507180087 /nfs/dbraw/zinc/18/00/87/507180087.db2.gz SZZMKPMVQLARQH-UHFFFAOYSA-N -1 2 366.420 2.826 20 0 FFADLM Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)c(C)c1C(=O)[O-] ZINC000371370840 512357658 /nfs/dbraw/zinc/35/76/58/512357658.db2.gz ZFBUBYDHNIVZGT-UHFFFAOYSA-N -1 2 372.406 2.588 20 0 FFADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2=O)[nH+]1 ZINC000125369134 508973032 /nfs/dbraw/zinc/97/30/32/508973032.db2.gz IFSZKUVFGCAEMR-LRDDRELGSA-N -1 2 351.410 2.564 20 0 FFADLM CC[N@H+](CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1)C1CC1 ZINC000151852531 509096870 /nfs/dbraw/zinc/09/68/70/509096870.db2.gz XCCNYXFOGRDNOJ-UHFFFAOYSA-N -1 2 373.478 2.910 20 0 FFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000126833946 509135233 /nfs/dbraw/zinc/13/52/33/509135233.db2.gz LHBVQECAYUMYOD-UHFFFAOYSA-N -1 2 350.396 2.976 20 0 FFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000176510082 509551614 /nfs/dbraw/zinc/55/16/14/509551614.db2.gz HNMBTOSFQWSQQQ-UHFFFAOYSA-N -1 2 371.418 2.934 20 0 FFADLM CCc1nn(C)c(Cl)c1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000362381427 511183598 /nfs/dbraw/zinc/18/35/98/511183598.db2.gz YSOXGTJGVSFGLC-UHFFFAOYSA-N -1 2 366.759 2.952 20 0 FFADLM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000274407114 511823988 /nfs/dbraw/zinc/82/39/88/511823988.db2.gz UHUQWKFOFRJFMY-SECBINFHSA-N -1 2 366.377 2.604 20 0 FFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000451098661 513518780 /nfs/dbraw/zinc/51/87/80/513518780.db2.gz UNVTXDOJHPEFKT-UHFFFAOYSA-N -1 2 351.380 2.926 20 0 FFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000442826931 513789249 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Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000510137592 515447535 /nfs/dbraw/zinc/44/75/35/515447535.db2.gz WGIXEJROOWOHSD-UHFFFAOYSA-N -1 2 363.420 2.741 20 0 FFADLM CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1)C1CC1 ZINC000561264778 516486483 /nfs/dbraw/zinc/48/64/83/516486483.db2.gz QLKZLESNHNASRI-QGZVFWFLSA-N -1 2 369.469 2.862 20 0 FFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000544092863 516577305 /nfs/dbraw/zinc/57/73/05/516577305.db2.gz BVBTYPBYBZIEJA-UHFFFAOYSA-N -1 2 369.418 2.794 20 0 FFADLM CC(=O)Nc1ccc(NS(=O)(=O)c2sccc2C)c(C(=O)[O-])c1 ZINC000547868737 516608820 /nfs/dbraw/zinc/60/88/20/516608820.db2.gz IJAVMFWBHYGQCH-UHFFFAOYSA-N -1 2 354.409 2.514 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)c1F ZINC000513458028 516632059 /nfs/dbraw/zinc/63/20/59/516632059.db2.gz MTVAGEGXQLIEKZ-UHFFFAOYSA-N -1 2 365.382 2.982 20 0 FFADLM CCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000562707300 517322263 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O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1cc(F)cc(Cl)c1 ZINC000535158603 518159675 /nfs/dbraw/zinc/15/96/75/518159675.db2.gz MZDCAMKJVWGJLI-UHFFFAOYSA-N -1 2 368.861 2.816 20 0 FFADLM CC(C)(C)CS(=O)(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000579117862 518531604 /nfs/dbraw/zinc/53/16/04/518531604.db2.gz WNLBAUNPJMRWHF-LLVKDONJSA-N -1 2 353.362 2.954 20 0 FFADLM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000567863362 518754641 /nfs/dbraw/zinc/75/46/41/518754641.db2.gz LRJRZJALJWZOPR-ZDUSSCGKSA-N -1 2 362.607 2.745 20 0 FFADLM C[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[nH]n1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000579807081 518862292 /nfs/dbraw/zinc/86/22/92/518862292.db2.gz OGDRKSSQIRPZKD-XQQFMLRXSA-N -1 2 361.877 2.757 20 0 FFADLM C[NH+]1CCN(Cc2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2)CC1 ZINC000565859780 519166273 /nfs/dbraw/zinc/16/62/73/519166273.db2.gz HKPNBEHFXNBPNI-UHFFFAOYSA-N -1 2 361.392 2.670 20 0 FFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1C(=O)[O-] ZINC000571730279 519242279 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Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccccc3C)nc2n1 ZINC000738345219 600102282 /nfs/dbraw/zinc/10/22/82/600102282.db2.gz JCZCJFQKNYVXMD-UHFFFAOYSA-N -1 2 363.420 2.807 20 0 FFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738755464 600244399 /nfs/dbraw/zinc/24/43/99/600244399.db2.gz STKJRQBCSDWBMQ-UHFFFAOYSA-N -1 2 371.418 2.609 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)c1C(=O)[O-] ZINC000738747592 600577338 /nfs/dbraw/zinc/57/73/38/600577338.db2.gz XOBKYGJFORDJBT-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM COc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1C(=O)[O-] ZINC000738069893 600659553 /nfs/dbraw/zinc/65/95/53/600659553.db2.gz NNNMUOYDFFIFQZ-UHFFFAOYSA-N -1 2 370.433 2.865 20 0 FFADLM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)s1 ZINC000830259924 600687907 /nfs/dbraw/zinc/68/79/07/600687907.db2.gz KUAJPCQOFFSUAR-UHFFFAOYSA-N -1 2 369.420 2.596 20 0 FFADLM Cc1ccnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000020010958 600978457 /nfs/dbraw/zinc/97/84/57/600978457.db2.gz ZGVBVYYQNXTWAW-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000384229982 601330198 /nfs/dbraw/zinc/33/01/98/601330198.db2.gz WSHTWBFQZGXJCS-UHFFFAOYSA-N -1 2 362.194 2.591 20 0 FFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000321234851 601358615 /nfs/dbraw/zinc/35/86/15/601358615.db2.gz CETOIGCHAPHPNZ-UHFFFAOYSA-N -1 2 354.409 2.528 20 0 FFADLM CCCCc1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000829440486 601502391 /nfs/dbraw/zinc/50/23/91/601502391.db2.gz MPDKHPHPAHEOGK-JXMROGBWSA-N -1 2 367.452 2.779 20 0 FFADLM CC(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000827168621 601503448 /nfs/dbraw/zinc/50/34/48/601503448.db2.gz PFAWCZSSPWGYKH-UHFFFAOYSA-N -1 2 361.832 2.814 20 0 FFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000832869064 601503681 /nfs/dbraw/zinc/50/36/81/601503681.db2.gz XBSPOCRKOKHNBS-UHFFFAOYSA-N -1 2 355.441 2.643 20 0 FFADLM O=C([O-])N1CCN(Cc2nc(=O)c3sccc3[nH]2)c2ccccc2C1 ZINC000740526980 602256288 /nfs/dbraw/zinc/25/62/88/602256288.db2.gz LWPKZZFQATWOCD-UHFFFAOYSA-N -1 2 356.407 2.897 20 0 FFADLM Cc1ccc(F)c(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830333215 604013885 /nfs/dbraw/zinc/01/38/85/604013885.db2.gz QBUXOUCUOMSAQO-UHFFFAOYSA-N -1 2 350.371 2.975 20 0 FFADLM O=C([O-])c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1F ZINC000833165563 604288986 /nfs/dbraw/zinc/28/89/86/604288986.db2.gz LLLKNXMHYWXCQT-UHFFFAOYSA-N -1 2 362.267 2.840 20 0 FFADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833651817 604688308 /nfs/dbraw/zinc/68/83/08/604688308.db2.gz BZMFJQSIOUNLBD-UHFFFAOYSA-N -1 2 350.396 2.678 20 0 FFADLM Cc1cccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1Br ZINC000832973118 604776496 /nfs/dbraw/zinc/77/64/96/604776496.db2.gz WDWVIOHCVRTRRX-UHFFFAOYSA-N -1 2 371.212 2.652 20 0 FFADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1C ZINC000833758455 605303227 /nfs/dbraw/zinc/30/32/27/605303227.db2.gz YJSRVXRKHDKHOH-UHFFFAOYSA-N -1 2 353.421 2.894 20 0 FFADLM CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000833688599 605529526 /nfs/dbraw/zinc/52/95/26/605529526.db2.gz TYLHVLNPPDEPRQ-KRWDZBQOSA-N -1 2 369.352 2.615 20 0 FFADLM