smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000066290262 398367106 /nfs/dbraw/zinc/36/71/06/398367106.db2.gz WYQWBOQKMJZKJO-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccccc1-c1nc(=NC[C@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000629767821 399719659 /nfs/dbraw/zinc/71/96/59/399719659.db2.gz QSQOTJCNPLDGGK-LBPRGKRZSA-N -2 0 305.403 2.704 20 0 DFADRL O=C([O-])c1ccc(CO)c(-c2cccc3c2C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c1 ZINC000630049239 399801043 /nfs/dbraw/zinc/80/10/43/399801043.db2.gz AXMRORDCKYHUKI-GVDBMIGSSA-N -2 0 324.332 2.514 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)o1 ZINC000630423531 399885141 /nfs/dbraw/zinc/88/51/41/399885141.db2.gz FSOBYQQFDBCSSW-QWHCGFSZSA-N -2 0 321.354 2.577 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000186984320 426617631 /nfs/dbraw/zinc/61/76/31/426617631.db2.gz JXLPMQXGIUAKQA-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1F ZINC000180508014 426867004 /nfs/dbraw/zinc/86/70/04/426867004.db2.gz XVWSMJKWZUDAQN-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL C[C@H](Oc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1)C(=O)[O-] ZINC000340591801 427892336 /nfs/dbraw/zinc/89/23/36/427892336.db2.gz YJMISZLDJLKWMU-GZTOBOFZSA-N -2 0 313.309 2.802 20 0 DFADRL C[C@@H](Oc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1)C(=O)[O-] ZINC000340591804 427893432 /nfs/dbraw/zinc/89/34/32/427893432.db2.gz YJMISZLDJLKWMU-MVIFTORASA-N -2 0 313.309 2.802 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(O)c1 ZINC000349921295 427899839 /nfs/dbraw/zinc/89/98/39/427899839.db2.gz QAXFUGQVBGPPPO-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=S(=O)(CCOCC1CCC1)[N-]c1cccc(Cl)c1[O-] ZINC000634789639 430114162 /nfs/dbraw/zinc/11/41/62/430114162.db2.gz XSMFKTAYSRYVCN-UHFFFAOYSA-N -2 0 319.810 2.604 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccs1 ZINC000547556681 430403455 /nfs/dbraw/zinc/40/34/55/430403455.db2.gz BIXQEVNEBJJSJP-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000547547002 430403926 /nfs/dbraw/zinc/40/39/26/430403926.db2.gz HHEIODMANIOXAR-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC(C)(C)c1nc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[n-]o1 ZINC000649403960 431091196 /nfs/dbraw/zinc/09/11/96/431091196.db2.gz XLMSEPOTRVHUQN-VXGBXAGGSA-N -2 0 301.346 2.514 20 0 DFADRL O=C([O-])CCCCN=c1nc(-c2cc(F)cc(F)c2)[n-]s1 ZINC000647456124 431591239 /nfs/dbraw/zinc/59/12/39/431591239.db2.gz AKWYJYZSOCZGBF-UHFFFAOYSA-N -2 0 313.329 2.572 20 0 DFADRL CC(C)n1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cn1 ZINC000515036986 300285569 /nfs/dbraw/zinc/28/55/69/300285569.db2.gz MXNXRSWMTYIGJV-UHFFFAOYSA-N -2 0 315.782 2.624 20 0 DFADRL O=C([O-])c1ccc(/C=C/c2cc(C(=O)[O-])ncn2)c(Cl)c1 ZINC000543117324 301424978 /nfs/dbraw/zinc/42/49/78/301424978.db2.gz OQOSSWQQWIWPMV-ONEGZZNKSA-N -2 0 304.689 2.697 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548150523 301569535 /nfs/dbraw/zinc/56/95/35/301569535.db2.gz PPJUHDVNIQUMLB-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000548477624 301593812 /nfs/dbraw/zinc/59/38/12/301593812.db2.gz XAEMQJBAEOYOHB-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000433834708 316896569 /nfs/dbraw/zinc/89/65/69/316896569.db2.gz UKINLQUBGCBEAP-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000575059757 318060398 /nfs/dbraw/zinc/06/03/98/318060398.db2.gz IWKYNBCVFBCLRZ-SECBINFHSA-N -2 0 306.145 2.994 20 0 DFADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000020593406 599735269 /nfs/dbraw/zinc/73/52/69/599735269.db2.gz DHRCUCAOHYFCRY-UHFFFAOYSA-N -2 0 313.356 2.501 20 0 DFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncccc2C)c1C ZINC000314099285 601359370 /nfs/dbraw/zinc/35/93/70/601359370.db2.gz ZDDOIYHUIMEGQB-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(C)n1 ZINC000832950180 601771513 /nfs/dbraw/zinc/77/15/13/601771513.db2.gz GBZWDEMMLSERFE-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000833343671 602118268 /nfs/dbraw/zinc/11/82/68/602118268.db2.gz LUJOKOGZAVATSO-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL CCC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000833649304 605022498 /nfs/dbraw/zinc/02/24/98/605022498.db2.gz CDXAEICXOAQLBK-MRVPVSSYSA-N -2 0 306.145 2.682 20 0 DFADRL O=C([O-])N1CCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000834051219 605402156 /nfs/dbraw/zinc/40/21/56/605402156.db2.gz DQWCOZDZUUZNCL-VIFPVBQESA-N -2 0 319.144 2.780 20 0 DFADRL O=C([O-])CC1(NC(=O)c2cccc(NC(=O)[O-])c2)CCCCC1 ZINC000834061198 606052647 /nfs/dbraw/zinc/05/26/47/606052647.db2.gz QGBJEXFTPOODDH-UHFFFAOYSA-N -2 0 320.345 2.684 20 0 DFADRL O=C([O-])Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000834264744 606065532 /nfs/dbraw/zinc/06/55/32/606065532.db2.gz MTBFZBLUWYIITC-UHFFFAOYSA-N -2 0 318.260 2.866 20 0 DFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000058392575 399081186 /nfs/dbraw/zinc/08/11/86/399081186.db2.gz FNPFNHCPSTXXCB-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL O=C([O-])c1ccc(CO)c(-c2cccc3c2C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000630049234 399801535 /nfs/dbraw/zinc/80/15/35/399801535.db2.gz AXMRORDCKYHUKI-BBWFWOEESA-N -2 0 324.332 2.514 20 0 DFADRL CC(C)C[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424374842 296505417 /nfs/dbraw/zinc/50/54/17/296505417.db2.gz LSTHUSJQJRQXJG-LBPRGKRZSA-N -2 0 305.403 2.786 20 0 DFADRL CC1(c2nc(=NC(=O)c3cc4ccsc4[nH]3)s[n-]2)CC1 ZINC000628539581 400038883 /nfs/dbraw/zinc/03/88/83/400038883.db2.gz KXGDZCQACGPFTC-UHFFFAOYSA-N -2 0 304.400 2.807 20 0 DFADRL O=S(=O)(Nc1cccc(O)c1F)c1cccc(F)c1F ZINC000127878419 426091125 /nfs/dbraw/zinc/09/11/25/426091125.db2.gz FDIHWRRAZOVZFS-UHFFFAOYSA-N -2 0 303.261 2.610 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(O)c1 ZINC000353750736 428696815 /nfs/dbraw/zinc/69/68/15/428696815.db2.gz YUEUCFLNQNNBNK-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])cn3)c(=O)c2C1 ZINC000634610344 430051948 /nfs/dbraw/zinc/05/19/48/430051948.db2.gz VOMCRWJXAATIQH-PWSUYJOCSA-N -2 0 301.346 2.555 20 0 DFADRL CCCc1ccc([N-]S(=O)(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000547592677 430405305 /nfs/dbraw/zinc/40/53/05/430405305.db2.gz HSRXKBDOXMWOCG-UHFFFAOYSA-N -2 0 320.370 2.533 20 0 DFADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000641684910 430441135 /nfs/dbraw/zinc/44/11/35/430441135.db2.gz DDAYNAYHGKYTEC-UHFFFAOYSA-N -2 0 311.403 2.917 20 0 DFADRL CC(C)(C)c1n[n-]c(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403426 431090799 /nfs/dbraw/zinc/09/07/99/431090799.db2.gz DDJFGEWSZUZHKI-RYUDHWBXSA-N -2 0 317.414 2.983 20 0 DFADRL CC(C)c1nc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404046 431092067 /nfs/dbraw/zinc/09/20/67/431092067.db2.gz ZPKHLQGGMDHKST-RYUDHWBXSA-N -2 0 303.387 2.809 20 0 DFADRL CCC[C@H](N=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C(=O)[O-] ZINC000647456330 431590473 /nfs/dbraw/zinc/59/04/73/431590473.db2.gz JHQPJMVMPMMRLE-JTQLQIEISA-N -2 0 313.329 2.570 20 0 DFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000156341931 295334571 /nfs/dbraw/zinc/33/45/71/295334571.db2.gz VMLQXDLPYPLCEG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])o1 ZINC000539112446 301338398 /nfs/dbraw/zinc/33/83/98/301338398.db2.gz HBLYXISORDOGJS-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000055311152 302870405 /nfs/dbraw/zinc/87/04/05/302870405.db2.gz LUHPTLGRDABCFV-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1C(=O)[O-] ZINC000547546640 317854689 /nfs/dbraw/zinc/85/46/89/317854689.db2.gz KEDLYNBFGLENJL-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccs2)c1F ZINC000547575345 317855145 /nfs/dbraw/zinc/85/51/45/317855145.db2.gz GTSIKSSSYQYDFF-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000020227031 599852012 /nfs/dbraw/zinc/85/20/12/599852012.db2.gz USKNSHRSTBOWEO-UHFFFAOYSA-N -2 0 311.384 2.566 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736310018 599981808 /nfs/dbraw/zinc/98/18/08/599981808.db2.gz KAFGIELWNZMYDI-ZDUSSCGKSA-N -2 0 321.373 2.600 20 0 DFADRL O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000819271203 601209602 /nfs/dbraw/zinc/20/96/02/601209602.db2.gz RHDWARMAXAQJKZ-VIFPVBQESA-N -2 0 319.744 2.746 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833029170 601231397 /nfs/dbraw/zinc/23/13/97/601231397.db2.gz DRWYSULIKQLZCL-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833030411 601231740 /nfs/dbraw/zinc/23/17/40/601231740.db2.gz VJJJZCZVCYKVQJ-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL O=C([O-])CCCCCCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833225145 601387169 /nfs/dbraw/zinc/38/71/69/601387169.db2.gz NZPFODHFJOAFKM-UHFFFAOYSA-N -2 0 317.744 2.950 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1C ZINC000832955811 602115165 /nfs/dbraw/zinc/11/51/65/602115165.db2.gz LHQNYKOLUGTXER-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000833343563 602116689 /nfs/dbraw/zinc/11/66/89/602116689.db2.gz HZLGEXBIHKSRHA-UHFFFAOYSA-N -2 0 323.351 2.993 20 0 DFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)s1 ZINC000830260010 602117264 /nfs/dbraw/zinc/11/72/64/602117264.db2.gz OCRVUMJKIGLQEZ-UHFFFAOYSA-N -2 0 317.413 2.871 20 0 DFADRL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000740712950 602645523 /nfs/dbraw/zinc/64/55/23/602645523.db2.gz KZIMLYGPJDVNQD-UHFFFAOYSA-N -2 0 310.306 2.716 20 0 DFADRL O=C([O-])Nc1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000740714936 603059158 /nfs/dbraw/zinc/05/91/58/603059158.db2.gz CUQPOGPTKMEVML-UHFFFAOYSA-N -2 0 324.296 2.678 20 0 DFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccccc1F ZINC000833741200 605126611 /nfs/dbraw/zinc/12/66/11/605126611.db2.gz BMPBVZONGMMEOB-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)(CCC(=O)Nc1ccc2[n-]c(=S)oc2c1)NC(=O)[O-] ZINC000823889856 605755056 /nfs/dbraw/zinc/75/50/56/605755056.db2.gz GWEZSDPLWVXTRZ-UHFFFAOYSA-N -2 0 323.374 2.881 20 0 DFADRL O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831340086 605757106 /nfs/dbraw/zinc/75/71/06/605757106.db2.gz QJFNYHUKCCIZPS-SECBINFHSA-N -2 0 321.358 2.588 20 0 DFADRL O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000831340087 605757319 /nfs/dbraw/zinc/75/73/19/605757319.db2.gz QJFNYHUKCCIZPS-VIFPVBQESA-N -2 0 321.358 2.588 20 0 DFADRL O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(F)cc1[O-] ZINC000834056547 605831868 /nfs/dbraw/zinc/83/18/68/605831868.db2.gz QVZZGNWATZVYDJ-UHFFFAOYSA-N -2 0 316.288 2.824 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000065844577 398347311 /nfs/dbraw/zinc/34/73/11/398347311.db2.gz DBJKPSWHDYGYIQ-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156356 190864603 /nfs/dbraw/zinc/86/46/03/190864603.db2.gz SUMONHFWMHBERA-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000263439033 304059309 /nfs/dbraw/zinc/05/93/09/304059309.db2.gz PGYGAYBGCNQDTL-JTQLQIEISA-N -2 0 313.300 2.530 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000081198429 399215569 /nfs/dbraw/zinc/21/55/69/399215569.db2.gz NBFRXAHBAYPHTK-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL Cc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000357022885 158349839 /nfs/dbraw/zinc/34/98/39/158349839.db2.gz VKQKZWBXJMNRAP-UHFFFAOYSA-N -2 0 319.382 2.731 20 0 DFADRL CCc1ccc([O-])c(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c1 ZINC000674671766 544250375 /nfs/dbraw/zinc/25/03/75/544250375.db2.gz YJWJINHBXWLOHL-UHFFFAOYSA-N -2 0 322.368 2.518 20 0 DFADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000055311135 425893072 /nfs/dbraw/zinc/89/30/72/425893072.db2.gz HLTKBEHAEHPOIP-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1 ZINC000338614604 427412985 /nfs/dbraw/zinc/41/29/85/427412985.db2.gz OUUOLOGPIJBUBD-ZZXKWVIFSA-N -2 0 319.338 2.865 20 0 DFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000342776892 272052713 /nfs/dbraw/zinc/05/27/13/272052713.db2.gz IVUSPVFCRMZITM-UHFFFAOYSA-N -2 0 324.383 2.520 20 0 DFADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)cc2n[nH]nc21 ZINC000337596560 427974129 /nfs/dbraw/zinc/97/41/29/427974129.db2.gz KZRQGUHYKCJMPS-UHFFFAOYSA-N -2 0 324.674 2.847 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000356501156 428205571 /nfs/dbraw/zinc/20/55/71/428205571.db2.gz ZNEQSVIRSICDBW-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC(C)[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])nc3)c(=O)c2C1 ZINC000634609881 430051769 /nfs/dbraw/zinc/05/17/69/430051769.db2.gz LVVSAQVSXXPHFO-CMPLNLGQSA-N -2 0 301.346 2.555 20 0 DFADRL O=C([O-])[C@@H]1C[C@@H](N=c2[n-]nc(C3CC3)s2)c2ccccc21 ZINC000649403569 431090297 /nfs/dbraw/zinc/09/02/97/431090297.db2.gz JIOGKXWJKFXQRW-VXGBXAGGSA-N -2 0 301.371 2.563 20 0 DFADRL O=C([O-])[C@@H]1C[C@H](N=c2[n-]nc(C3CC3)s2)c2ccccc21 ZINC000649403566 431090887 /nfs/dbraw/zinc/09/08/87/431090887.db2.gz JIOGKXWJKFXQRW-NEPJUHHUSA-N -2 0 301.371 2.563 20 0 DFADRL CC(C)c1nc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404045 431091964 /nfs/dbraw/zinc/09/19/64/431091964.db2.gz ZPKHLQGGMDHKST-NWDGAFQWSA-N -2 0 303.387 2.809 20 0 DFADRL CC(=O)c1ccc([O-])c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000436974527 297049095 /nfs/dbraw/zinc/04/90/95/297049095.db2.gz ZKVUAZLRGGPKEY-UHFFFAOYSA-N -2 0 307.252 2.831 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156241053 295333440 /nfs/dbraw/zinc/33/34/40/295333440.db2.gz KKTNROMUHBGQPE-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1C(=O)[O-] ZINC000532025157 301125611 /nfs/dbraw/zinc/12/56/11/301125611.db2.gz NGEDOHDLUCVAQO-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC[C@H](C)CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000548530822 301598457 /nfs/dbraw/zinc/59/84/57/301598457.db2.gz UREQCPRMOGHWPY-JTQLQIEISA-N -2 0 322.386 2.721 20 0 DFADRL CCCc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000317456178 600175871 /nfs/dbraw/zinc/17/58/71/600175871.db2.gz ZYNLWGGMBLKQKO-UHFFFAOYSA-N -2 0 322.386 2.775 20 0 DFADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cccs2)c1 ZINC000166569749 600637402 /nfs/dbraw/zinc/63/74/02/600637402.db2.gz QYXXZXOLJBPNQW-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL C[C@H](CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000827437194 601387631 /nfs/dbraw/zinc/38/76/31/601387631.db2.gz UYMZYINDKKFOJZ-SECBINFHSA-N -2 0 321.760 2.992 20 0 DFADRL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000826807861 601934910 /nfs/dbraw/zinc/93/49/10/601934910.db2.gz PXRIIAMCWLVOKZ-JTQLQIEISA-N -2 0 323.374 2.737 20 0 DFADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000833187300 604329250 /nfs/dbraw/zinc/32/92/50/604329250.db2.gz RIXPAMYHPWWUIY-DTWKUNHWSA-N -2 0 320.370 2.946 20 0 DFADRL CCCCC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(=O)[O-] ZINC000833852326 606067425 /nfs/dbraw/zinc/06/74/25/606067425.db2.gz CJYUOOMNUFZXBF-LBPRGKRZSA-N -2 0 308.334 2.540 20 0 DFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O)c1C ZINC000613431441 398982832 /nfs/dbraw/zinc/98/28/32/398982832.db2.gz AGDZLDBCAGNWNV-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000091509378 193066925 /nfs/dbraw/zinc/06/69/25/193066925.db2.gz DGOAAKBPDCSBFA-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])cc1C ZINC000478706855 299369257 /nfs/dbraw/zinc/36/92/57/299369257.db2.gz WMZHBBOYSMBILX-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1 ZINC000338614403 284127478 /nfs/dbraw/zinc/12/74/78/284127478.db2.gz OUUOLOGPIJBUBD-UTCJRWHESA-N -2 0 319.338 2.865 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000061117856 184162529 /nfs/dbraw/zinc/16/25/29/184162529.db2.gz MGHNFBCKIJEAJY-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CC1(C(=O)[O-])CCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000320986238 543083703 /nfs/dbraw/zinc/08/37/03/543083703.db2.gz ZOFOVOGWHBJLKH-UHFFFAOYSA-N -2 0 313.353 2.872 20 0 DFADRL COC(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c[nH]1 ZINC000354559078 147078925 /nfs/dbraw/zinc/07/89/25/147078925.db2.gz IEHKWKBGFKYPGM-UHFFFAOYSA-N -2 0 312.684 2.552 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000055311134 425892796 /nfs/dbraw/zinc/89/27/96/425892796.db2.gz COPNHNXFKWRSEY-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(F)c1 ZINC000078763848 426184541 /nfs/dbraw/zinc/18/45/41/426184541.db2.gz DOQGIBIDLQGVOU-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000178953384 426726113 /nfs/dbraw/zinc/72/61/13/426726113.db2.gz ODSUJHKMQMHRCD-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000339205477 427731682 /nfs/dbraw/zinc/73/16/82/427731682.db2.gz XURPDNIRHKTQLR-UHFFFAOYSA-N -2 0 316.766 2.705 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(F)c1 ZINC000356732093 428288707 /nfs/dbraw/zinc/28/87/07/428288707.db2.gz JJTRNIMBTCNDGC-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(F)c1 ZINC000404998140 428575587 /nfs/dbraw/zinc/57/55/87/428575587.db2.gz HYFQCECPOIKAGU-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)o1 ZINC000345112365 428757885 /nfs/dbraw/zinc/75/78/85/428757885.db2.gz GEPXMKXMIFXNEN-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433811254 429052635 /nfs/dbraw/zinc/05/26/35/429052635.db2.gz OXUYKEITAZSRLK-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000547822828 430425437 /nfs/dbraw/zinc/42/54/37/430425437.db2.gz GBOWGVRFCBXEKW-UHFFFAOYSA-N -2 0 316.338 2.667 20 0 DFADRL CC(C)Cc1nc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403654 431090635 /nfs/dbraw/zinc/09/06/35/431090635.db2.gz MXXDENLUJYSBNW-QWHCGFSZSA-N -2 0 317.414 2.884 20 0 DFADRL Cc1cccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1[O-] ZINC000436791625 297034507 /nfs/dbraw/zinc/03/45/07/297034507.db2.gz KXEICJXKMWYFNF-UHFFFAOYSA-N -2 0 311.366 2.893 20 0 DFADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000544646362 317837595 /nfs/dbraw/zinc/83/75/95/317837595.db2.gz MXOPGQVTHYSZOX-UHFFFAOYSA-N -2 0 317.322 2.932 20 0 DFADRL CN(C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1)C1CCCCC1 ZINC000578143754 318241028 /nfs/dbraw/zinc/24/10/28/318241028.db2.gz IGYSFUYIHOWAEP-UHFFFAOYSA-N -2 0 320.345 2.879 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1C ZINC000315146882 534212716 /nfs/dbraw/zinc/21/27/16/534212716.db2.gz XQEDFUYYHAFJII-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)o1 ZINC000020593466 599734600 /nfs/dbraw/zinc/73/46/00/599734600.db2.gz VQCOJZZNSUZSJA-UHFFFAOYSA-N -2 0 319.697 2.571 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)o1 ZINC000231810747 599739564 /nfs/dbraw/zinc/73/95/64/599739564.db2.gz XTWPTSGEIXHZAJ-UHFFFAOYSA-N -2 0 319.697 2.571 20 0 DFADRL CCC(CC)(CC(=O)Nc1cccc(F)c1C(=O)[O-])C(=O)[O-] ZINC000736892859 599859642 /nfs/dbraw/zinc/85/96/42/599859642.db2.gz DBVHEKWLCBZLCJ-UHFFFAOYSA-N -2 0 311.309 2.744 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000833029144 601231523 /nfs/dbraw/zinc/23/15/23/601231523.db2.gz CPZXYKVPIQVWMN-UHFFFAOYSA-N -2 0 321.354 2.576 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000035426880 601357356 /nfs/dbraw/zinc/35/73/56/601357356.db2.gz ZCUWNTONFGYRPW-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])c1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000833313998 601387509 /nfs/dbraw/zinc/38/75/09/601387509.db2.gz DIMBVRBABLFCQB-UHFFFAOYSA-N -2 0 323.707 2.813 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)cc(F)c1F ZINC000080309777 601484769 /nfs/dbraw/zinc/48/47/69/601484769.db2.gz SNSPMYDWGZUQPY-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)s1 ZINC000832955806 602116386 /nfs/dbraw/zinc/11/63/86/602116386.db2.gz JXIJXMQHCLMDNU-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000833469242 604789911 /nfs/dbraw/zinc/78/99/11/604789911.db2.gz VHGICLCCEDUFMQ-VIFPVBQESA-N -2 0 321.160 2.930 20 0 DFADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833511153 605053631 /nfs/dbraw/zinc/05/36/31/605053631.db2.gz CRRITELESKPUER-UHFFFAOYSA-N -2 0 320.370 2.704 20 0 DFADRL O=C([O-])N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000834052543 605691089 /nfs/dbraw/zinc/69/10/89/605691089.db2.gz UVZDIFOLBGFHGB-VIFPVBQESA-N -2 0 319.144 2.780 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000038927311 398557913 /nfs/dbraw/zinc/55/79/13/398557913.db2.gz SYOUVMMVEVXKAX-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL C[C@@H](Oc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000338614142 284127498 /nfs/dbraw/zinc/12/74/98/284127498.db2.gz UQLWJNPBMHZZFQ-VUHVRTRXSA-N -2 0 319.338 2.864 20 0 DFADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156470 425968539 /nfs/dbraw/zinc/96/85/39/425968539.db2.gz OQPJSRUMNYPWCZ-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000089750292 426305538 /nfs/dbraw/zinc/30/55/38/426305538.db2.gz SOEQITGVQYMVLG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccco1)CCCC2 ZINC000337882212 427019177 /nfs/dbraw/zinc/01/91/77/427019177.db2.gz YYWDRDZWKWWDBP-UHFFFAOYSA-N -2 0 321.354 2.657 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000356724747 428283652 /nfs/dbraw/zinc/28/36/52/428283652.db2.gz UONZXFXFBYMYKS-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000356723710 428284723 /nfs/dbraw/zinc/28/47/23/428284723.db2.gz PUPVOTTUACWQNO-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000360497348 428322404 /nfs/dbraw/zinc/32/24/04/428322404.db2.gz ZKPCISBBNOZLJW-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)n1cc(-c2cc(C(=O)[O-])ccc2CO)cc1C(=O)[O-] ZINC000581895590 430248438 /nfs/dbraw/zinc/24/84/38/430248438.db2.gz KCCBJNQVKRALIL-UHFFFAOYSA-N -2 0 303.314 2.625 20 0 DFADRL O=C([O-])c1cccc(CN=c2nc(C3CCCC3)[n-]s2)c1 ZINC000581720404 430234077 /nfs/dbraw/zinc/23/40/77/430234077.db2.gz RXXHPRIVYKORDK-UHFFFAOYSA-N -2 0 303.387 2.928 20 0 DFADRL CCn1nccc1-c1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000569624189 430471784 /nfs/dbraw/zinc/47/17/84/430471784.db2.gz WHJGBVJNACJVQM-UHFFFAOYSA-N -2 0 316.357 2.911 20 0 DFADRL CC(=O)c1[n-]c(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1C ZINC000649403882 431090107 /nfs/dbraw/zinc/09/01/07/431090107.db2.gz VKWZBLMKVGRBJJ-OLZOCXBDSA-N -2 0 316.382 2.801 20 0 DFADRL O=C([O-])[C@H]1C[C@@H](N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000649403772 431090356 /nfs/dbraw/zinc/09/03/56/431090356.db2.gz SADIEHRJCHHIBZ-DTWKUNHWSA-N -2 0 311.313 2.623 20 0 DFADRL O=C([O-])[C@H]1C[C@H](N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000649403773 431090900 /nfs/dbraw/zinc/09/09/00/431090900.db2.gz SADIEHRJCHHIBZ-IUCAKERBSA-N -2 0 311.313 2.623 20 0 DFADRL CCCc1nc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404013 431091845 /nfs/dbraw/zinc/09/18/45/431091845.db2.gz YSRPANCTIFJWBM-VXGBXAGGSA-N -2 0 303.387 2.638 20 0 DFADRL CC(C)(C)c1n[n-]c(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777147 431694296 /nfs/dbraw/zinc/69/42/96/431694296.db2.gz WFWUYLYQYWBXCZ-MRXNPFEDSA-N -2 0 319.430 2.712 20 0 DFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F ZINC000531365027 301090286 /nfs/dbraw/zinc/09/02/86/301090286.db2.gz ZGFVPTMFNBTMKN-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000539118582 301338388 /nfs/dbraw/zinc/33/83/88/301338388.db2.gz PNGAHQRNHRBGPQ-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL O=C([O-])[C@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000572246552 302651340 /nfs/dbraw/zinc/65/13/40/302651340.db2.gz GQHZJLLEBGPSQB-CYBMUJFWSA-N -2 0 317.414 2.898 20 0 DFADRL Cc1cscc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000387096264 323322184 /nfs/dbraw/zinc/32/21/84/323322184.db2.gz IIJIFELDNBQWCU-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000682896537 545937499 /nfs/dbraw/zinc/93/74/99/545937499.db2.gz NMYQMTMMUXPHHZ-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000020593389 599734557 /nfs/dbraw/zinc/73/45/57/599734557.db2.gz CVCOEVFBNGGILK-UHFFFAOYSA-N -2 0 313.356 2.501 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1F ZINC000313216046 597707043 /nfs/dbraw/zinc/70/70/43/597707043.db2.gz KALIAXDHSWAGGG-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL CSc1ccc([C@@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1 ZINC000738199581 599752726 /nfs/dbraw/zinc/75/27/26/599752726.db2.gz OBYZEEGTVCBHAI-SECBINFHSA-N -2 0 307.293 2.603 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736310894 600155117 /nfs/dbraw/zinc/15/51/17/600155117.db2.gz ZBHWJWOPFSUMHG-UHFFFAOYSA-N -2 0 312.297 2.745 20 0 DFADRL O=C([O-])NCc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000739991842 600332957 /nfs/dbraw/zinc/33/29/57/600332957.db2.gz ONJQOEPZGWJMHO-UHFFFAOYSA-N -2 0 322.267 2.690 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)s1 ZINC000072758569 600564498 /nfs/dbraw/zinc/56/44/98/600564498.db2.gz ZGRQNMZFKGIZTM-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c(C(=O)[O-])[nH]1 ZINC000832896458 600838239 /nfs/dbraw/zinc/83/82/39/600838239.db2.gz XHZHHHYDVVNYMP-UHFFFAOYSA-N -2 0 317.326 2.704 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000833029993 601233298 /nfs/dbraw/zinc/23/32/98/601233298.db2.gz PLSDUKFSJYKDCL-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000035426886 601357219 /nfs/dbraw/zinc/35/72/19/601357219.db2.gz MZIGVRIVCSGHMZ-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000830269749 602115241 /nfs/dbraw/zinc/11/52/41/602115241.db2.gz FPKRXWOXLPJPOQ-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000832955765 602115789 /nfs/dbraw/zinc/11/57/89/602115789.db2.gz ATQNRWXEGDIACL-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CCCC[C@H](CNC(=O)[O-])NC(=O)c1ccc([O-])c(Cl)c1 ZINC000826805756 604017566 /nfs/dbraw/zinc/01/75/66/604017566.db2.gz IAACERIMFXNPCH-SNVBAGLBSA-N -2 0 314.769 2.602 20 0 DFADRL CC(C)(CC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833456450 604714898 /nfs/dbraw/zinc/71/48/98/604714898.db2.gz WCEJVJFNQLVQNM-UHFFFAOYSA-N -2 0 306.145 2.682 20 0 DFADRL CCC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000833649305 605022475 /nfs/dbraw/zinc/02/24/75/605022475.db2.gz CDXAEICXOAQLBK-QMMMGPOBSA-N -2 0 306.145 2.682 20 0 DFADRL O=C([O-])c1cccc(CNC(=O)c2cccc(Cl)c2[O-])c1 ZINC000833783551 605257722 /nfs/dbraw/zinc/25/77/22/605257722.db2.gz PXQLXEKBCCXKSB-UHFFFAOYSA-N -2 0 305.717 2.674 20 0 DFADRL O=C([O-])NC1(c2noc(-c3cc(Cl)ccc3[O-])n2)CCC1 ZINC000834155074 605884607 /nfs/dbraw/zinc/88/46/07/605884607.db2.gz GFXOTQRUYPZFJK-UHFFFAOYSA-N -2 0 309.709 2.742 20 0 DFADRL Cc1ccc([O-])c(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000596900620 398525543 /nfs/dbraw/zinc/52/55/43/398525543.db2.gz YNOTXJFWVKPUTJ-UHFFFAOYSA-N -2 0 317.395 2.955 20 0 DFADRL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000421152142 296238522 /nfs/dbraw/zinc/23/85/22/296238522.db2.gz KGZCCJGIWCOPCX-JTQLQIEISA-N -2 0 321.826 2.848 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1F ZINC000185568750 158064072 /nfs/dbraw/zinc/06/40/72/158064072.db2.gz BMALTRVPVBCTBP-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC000674054365 544216561 /nfs/dbraw/zinc/21/65/61/544216561.db2.gz OCOQPLJGKBQWHD-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193482706 268070196 /nfs/dbraw/zinc/07/01/96/268070196.db2.gz DEZXWIROCRHJHJ-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000316665537 268345300 /nfs/dbraw/zinc/34/53/00/268345300.db2.gz CJTLMSWMEHURDP-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1F ZINC000180465042 426860470 /nfs/dbraw/zinc/86/04/70/426860470.db2.gz ZSDKYODKSMWCCI-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)o1 ZINC000345090985 428749281 /nfs/dbraw/zinc/74/92/81/428749281.db2.gz LHEQIHZAOUBCSW-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL CC(C)c1n[n-]c(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403801 431090542 /nfs/dbraw/zinc/09/05/42/431090542.db2.gz SMBPACKNBYLINB-VXGBXAGGSA-N -2 0 303.387 2.809 20 0 DFADRL CC(C)(C)c1nc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)[n-]o1 ZINC000649403959 431092312 /nfs/dbraw/zinc/09/23/12/431092312.db2.gz XLMSEPOTRVHUQN-RYUDHWBXSA-N -2 0 301.346 2.514 20 0 DFADRL O=C([O-])CCc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000663025881 431261397 /nfs/dbraw/zinc/26/13/97/431261397.db2.gz LXNBEPDGOPDIES-HNNXBMFYSA-N -2 0 319.357 2.533 20 0 DFADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1[O-] ZINC000436549074 297011499 /nfs/dbraw/zinc/01/14/99/297011499.db2.gz FBADTAASHDBGPY-UHFFFAOYSA-N -2 0 315.329 2.724 20 0 DFADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000436722115 297028373 /nfs/dbraw/zinc/02/83/73/297028373.db2.gz LLMQXPZQRMMYGH-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccs1 ZINC000530888027 301070139 /nfs/dbraw/zinc/07/01/39/301070139.db2.gz KILVJQMGAWCIBW-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ncc(C(=O)[O-])s1 ZINC000567739476 302386262 /nfs/dbraw/zinc/38/62/62/302386262.db2.gz QYUQLMBBDZLPQA-ZCFIWIBFSA-N -2 0 312.420 2.585 20 0 DFADRL CC(C)Cc1nc(=NC[C@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000567984835 302405889 /nfs/dbraw/zinc/40/58/89/302405889.db2.gz BROODJMIXYPYBC-ZDUSSCGKSA-N -2 0 319.430 2.514 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c(C)o1 ZINC000547560515 317855114 /nfs/dbraw/zinc/85/51/14/317855114.db2.gz PAVXEZVWPRFKIY-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000577160450 318174468 /nfs/dbraw/zinc/17/44/68/318174468.db2.gz JRRAVTJHWGGJSD-UWVGGRQHSA-N -2 0 320.345 2.878 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)s1 ZINC000035306628 599873097 /nfs/dbraw/zinc/87/30/97/599873097.db2.gz LVKOXXQPVORTQM-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000317458228 600175935 /nfs/dbraw/zinc/17/59/35/600175935.db2.gz AJSWFTIDOLCMMP-UHFFFAOYSA-N -2 0 322.386 2.946 20 0 DFADRL O=C([O-])COc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000739822902 600267968 /nfs/dbraw/zinc/26/79/68/600267968.db2.gz DVEBZFYGWNEFDD-UHFFFAOYSA-N -2 0 321.716 2.761 20 0 DFADRL O=C([O-])[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1ccccc1 ZINC000833350024 601189531 /nfs/dbraw/zinc/18/95/31/601189531.db2.gz HXMROBAPDJEMHE-ZDUSSCGKSA-N -2 0 308.236 2.653 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000035426865 601357535 /nfs/dbraw/zinc/35/75/35/601357535.db2.gz QDLQGVPOTABOQF-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1C(=O)[O-] ZINC000832973187 601363211 /nfs/dbraw/zinc/36/32/11/601363211.db2.gz ZEBJNQMGSSZYQU-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL O=C([O-])c1cccc(COC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000833329669 601446789 /nfs/dbraw/zinc/44/67/89/601446789.db2.gz QODDUJUBVBXMOC-UHFFFAOYSA-N -2 0 308.236 2.726 20 0 DFADRL O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000833198930 601563274 /nfs/dbraw/zinc/56/32/74/601563274.db2.gz MKVNYITVILPTKP-SECBINFHSA-N -2 0 318.156 2.682 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832953644 601617248 /nfs/dbraw/zinc/61/72/48/601617248.db2.gz XXNUPTGNYIZHQC-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000833343412 602116417 /nfs/dbraw/zinc/11/64/17/602116417.db2.gz DHUQZYJLDUBCFN-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000833343689 602116443 /nfs/dbraw/zinc/11/64/43/602116443.db2.gz MHDMHWFIPXWBLB-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832984535 602117835 /nfs/dbraw/zinc/11/78/35/602117835.db2.gz VCHNOEMCCNKCQN-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000833343353 602118493 /nfs/dbraw/zinc/11/84/93/602118493.db2.gz AAHWCTVBXWQRRS-UHFFFAOYSA-N -2 0 323.395 2.736 20 0 DFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000740715936 602653980 /nfs/dbraw/zinc/65/39/80/602653980.db2.gz IEVBKNWSGYUJOK-UHFFFAOYSA-N -2 0 310.306 2.716 20 0 DFADRL O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000832324340 603614140 /nfs/dbraw/zinc/61/41/40/603614140.db2.gz HPWQTYAPWMLOGG-DTWKUNHWSA-N -2 0 312.753 2.811 20 0 DFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000833187297 604329283 /nfs/dbraw/zinc/32/92/83/604329283.db2.gz RIXPAMYHPWWUIY-BDAKNGLRSA-N -2 0 320.370 2.946 20 0 DFADRL O=C([O-])CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000833251967 604922107 /nfs/dbraw/zinc/92/21/07/604922107.db2.gz ATJZCYUQMKNZLJ-UHFFFAOYSA-N -2 0 305.717 2.527 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1C ZINC000833751314 605022734 /nfs/dbraw/zinc/02/27/34/605022734.db2.gz TVHXKNWMOYNNFE-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccsc2)c(Cl)c1 ZINC000311351737 231118806 /nfs/dbraw/zinc/11/88/06/231118806.db2.gz OAVZLKYQNJFPCZ-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])c1cccc(NS(=O)(=O)CCc2ccccc2)c1F ZINC000319488460 543079823 /nfs/dbraw/zinc/07/98/23/543079823.db2.gz VQCWKCOVBRJXMF-UHFFFAOYSA-N -2 0 323.345 2.508 20 0 DFADRL Cc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000357022048 158349260 /nfs/dbraw/zinc/34/92/60/158349260.db2.gz ANNGJVZBEULVCP-UHFFFAOYSA-N -2 0 319.382 2.731 20 0 DFADRL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000671644671 544093167 /nfs/dbraw/zinc/09/31/67/544093167.db2.gz KRBZTTWMOIWJIF-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1O ZINC000674053820 544216224 /nfs/dbraw/zinc/21/62/24/544216224.db2.gz CIWVNRAVXPZDDH-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000317777762 268345482 /nfs/dbraw/zinc/34/54/82/268345482.db2.gz UZPHJMXFEGTEMB-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])s1 ZINC000071171143 425982775 /nfs/dbraw/zinc/98/27/75/425982775.db2.gz PSPGXNGYZMOLKV-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000078677273 426181092 /nfs/dbraw/zinc/18/10/92/426181092.db2.gz DOJLEJBUHMJLJS-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL CCC(C)(C)CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000190602884 271214602 /nfs/dbraw/zinc/21/46/02/271214602.db2.gz JOOMHOTWIZHKSU-UHFFFAOYSA-N -2 0 317.382 2.547 20 0 DFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000342628260 272032748 /nfs/dbraw/zinc/03/27/48/272032748.db2.gz ZDFFRSFQHHAMRG-UHFFFAOYSA-N -2 0 313.762 2.855 20 0 DFADRL CCCCc1[n-]n(-c2ccc(C(=O)[O-])cc2OC)c(=O)c1C ZINC000634612117 430052446 /nfs/dbraw/zinc/05/24/46/430052446.db2.gz OJQBRZSHGOOAHN-JTQLQIEISA-N -2 0 304.346 2.922 20 0 DFADRL CC(C)(C)c1nc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)[n-]o1 ZINC000649403957 431090489 /nfs/dbraw/zinc/09/04/89/431090489.db2.gz XLMSEPOTRVHUQN-NEPJUHHUSA-N -2 0 301.346 2.514 20 0 DFADRL Cc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c([O-])c1 ZINC000436557969 297012104 /nfs/dbraw/zinc/01/21/04/297012104.db2.gz YXHSIUMIDUPZOD-UHFFFAOYSA-N -2 0 317.395 2.955 20 0 DFADRL Cc1c(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)cnn1C ZINC000578248108 318248490 /nfs/dbraw/zinc/24/84/90/318248490.db2.gz UUTZPWQXHRDQTR-UHFFFAOYSA-N -2 0 316.357 2.737 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)c(Cl)c1 ZINC000312409236 534546582 /nfs/dbraw/zinc/54/65/82/534546582.db2.gz ITUCWLSXXNUOSB-UHFFFAOYSA-N -2 0 311.746 2.839 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000833343364 602118407 /nfs/dbraw/zinc/11/84/07/602118407.db2.gz AUSZBOTZHCBYIF-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000825416124 603395726 /nfs/dbraw/zinc/39/57/26/603395726.db2.gz JSVMAXKWAOCDOX-SNVBAGLBSA-N -2 0 322.361 2.845 20 0 DFADRL O=C([O-])Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC000832828755 604068698 /nfs/dbraw/zinc/06/86/98/604068698.db2.gz KLMLKGOGCCQBLZ-QWRGUYRKSA-N -2 0 304.346 2.744 20 0 DFADRL O=C([O-])c1csc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000833342374 604314970 /nfs/dbraw/zinc/31/49/70/604314970.db2.gz KGLVBMREXALRTK-UHFFFAOYSA-N -2 0 314.322 2.540 20 0 DFADRL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000833469241 604789592 /nfs/dbraw/zinc/78/95/92/604789592.db2.gz VHGICLCCEDUFMQ-SECBINFHSA-N -2 0 321.160 2.930 20 0 DFADRL O=C([O-])N1CCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000834051216 605402519 /nfs/dbraw/zinc/40/25/19/605402519.db2.gz DQWCOZDZUUZNCL-SECBINFHSA-N -2 0 319.144 2.780 20 0 DFADRL O=S(=O)([N-]c1cc(O)cc(F)c1)c1c(F)cc(F)cc1F ZINC000131408961 283083788 /nfs/dbraw/zinc/08/37/88/283083788.db2.gz XBMQCWJKQJNGES-UHFFFAOYSA-N -2 0 321.251 2.749 20 0 DFADRL O=S(=O)(Nc1cccc(O)c1F)c1cc(F)c(F)cc1F ZINC000131518252 283088262 /nfs/dbraw/zinc/08/82/62/283088262.db2.gz IFZBYFFYRVNTGG-UHFFFAOYSA-N -2 0 321.251 2.749 20 0 DFADRL C[C@H](Oc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000338614141 284127510 /nfs/dbraw/zinc/12/75/10/284127510.db2.gz UQLWJNPBMHZZFQ-UDIARPCQSA-N -2 0 319.338 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])c(C)c1 ZINC000013313205 542422080 /nfs/dbraw/zinc/42/20/80/542422080.db2.gz UPGNNIOKOPHTPL-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)o1 ZINC000350730151 286078594 /nfs/dbraw/zinc/07/85/94/286078594.db2.gz PZYGBXTZNJXZOM-JTQLQIEISA-N -2 0 323.370 2.652 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000358565667 158389986 /nfs/dbraw/zinc/38/99/86/158389986.db2.gz UXNKYYWRNCXQKM-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000013263432 425751282 /nfs/dbraw/zinc/75/12/82/425751282.db2.gz KFWIUWADKWMHJA-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000071415293 425986013 /nfs/dbraw/zinc/98/60/13/425986013.db2.gz LNQWNKMYHKJYFK-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccsc2)sc1C(=O)[O-] ZINC000089750294 426305431 /nfs/dbraw/zinc/30/54/31/426305431.db2.gz GOACGMKCAGMQHL-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000341296873 269063015 /nfs/dbraw/zinc/06/30/15/269063015.db2.gz UZZQBSLMXIKCBT-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000336852561 427759596 /nfs/dbraw/zinc/75/95/96/427759596.db2.gz TXHOSZQFFPHCRV-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(O)c1 ZINC000356035040 427993201 /nfs/dbraw/zinc/99/32/01/427993201.db2.gz ITQRRSDGKQYZBU-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL C[C@@H](Oc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000349113057 428920870 /nfs/dbraw/zinc/92/08/70/428920870.db2.gz PQWDEJCETNRETG-ILFKPUCNSA-N -2 0 319.338 2.864 20 0 DFADRL Cc1ccc(CS(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000581036417 430172389 /nfs/dbraw/zinc/17/23/89/430172389.db2.gz JCYWFQPJISOIRA-UHFFFAOYSA-N -2 0 323.345 2.774 20 0 DFADRL O=C([O-])c1ccc(CN=c2nc(C3CCCCC3)[n-]s2)o1 ZINC000649401326 431089947 /nfs/dbraw/zinc/08/99/47/431089947.db2.gz RDWROOQAKCBOCZ-UHFFFAOYSA-N -2 0 307.375 2.911 20 0 DFADRL CCCc1nc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404010 431092243 /nfs/dbraw/zinc/09/22/43/431092243.db2.gz YSRPANCTIFJWBM-NEPJUHHUSA-N -2 0 303.387 2.638 20 0 DFADRL O=C([O-])C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCC1 ZINC000663038854 431266298 /nfs/dbraw/zinc/26/62/98/431266298.db2.gz DZJDSVHLILCSCT-UHFFFAOYSA-N -2 0 304.129 2.892 20 0 DFADRL CC(C)Cc1nc(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650776904 431692497 /nfs/dbraw/zinc/69/24/97/431692497.db2.gz MQJKESCPYOIFPF-MRXNPFEDSA-N -2 0 319.430 2.613 20 0 DFADRL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1 ZINC000560417436 301893981 /nfs/dbraw/zinc/89/39/81/301893981.db2.gz TUMQHZWYSYSQHM-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000356742862 302304646 /nfs/dbraw/zinc/30/46/46/302304646.db2.gz NLWZEUAKVDUQQW-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CC(C)c1nc(=N[C@@H](CCC(=O)[O-])Cc2ccccc2)s[n-]1 ZINC000573667111 302716082 /nfs/dbraw/zinc/71/60/82/302716082.db2.gz GZGMCYIFZSXCIG-ZDUSSCGKSA-N -2 0 319.430 2.971 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000387137389 323322888 /nfs/dbraw/zinc/32/28/88/323322888.db2.gz UOVBUDAATLTABR-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000818402295 597263380 /nfs/dbraw/zinc/26/33/80/597263380.db2.gz DWQCYJHLMKCUGI-UHFFFAOYSA-N -2 0 319.744 2.869 20 0 DFADRL N#C/C(=C/c1cccc(OCc2ccccc2C(=O)[O-])c1)C(=O)[O-] ZINC000068773356 600029070 /nfs/dbraw/zinc/02/90/70/600029070.db2.gz JSOKRZNCLJLBAE-ZSOIEALJSA-N -2 0 323.304 2.955 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C)sc1C(=O)[O-] ZINC000088715166 600093713 /nfs/dbraw/zinc/09/37/13/600093713.db2.gz NPMVGKZDKCWAPB-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CN(CCCC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000737433178 600100185 /nfs/dbraw/zinc/10/01/85/600100185.db2.gz QBLHAJDRVMNAFW-UHFFFAOYSA-N -2 0 306.145 2.636 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2cc(C)sc2C)c(C(=O)[O-])[nH]1 ZINC000163449229 600254544 /nfs/dbraw/zinc/25/45/44/600254544.db2.gz SEBKQDNXTHIMTH-UHFFFAOYSA-N -2 0 314.388 2.500 20 0 DFADRL CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000736385178 600441615 /nfs/dbraw/zinc/44/16/15/600441615.db2.gz MRMMRMICRYRAOX-VIFPVBQESA-N -2 0 306.145 2.538 20 0 DFADRL CC(C)c1nc(/C=C\c2ccc(C(=O)[O-])o2)ncc1C(=O)[O-] ZINC000736526446 600658941 /nfs/dbraw/zinc/65/89/41/600658941.db2.gz WCCJZDDMJUBUIR-XQRVVYSFSA-N -2 0 302.286 2.760 20 0 DFADRL CC(C)C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000818326212 600968982 /nfs/dbraw/zinc/96/89/82/600968982.db2.gz TVODLZPIOAKYQD-SNVBAGLBSA-N -2 0 322.386 2.593 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000832952870 601231109 /nfs/dbraw/zinc/23/11/09/601231109.db2.gz IGONQXQZTQLDBI-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000832934662 601231137 /nfs/dbraw/zinc/23/11/37/601231137.db2.gz ORJYQJJBEBSSQE-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000832952840 601231179 /nfs/dbraw/zinc/23/11/79/601231179.db2.gz DGJSGLPBDNFXGR-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)s1 ZINC000035426839 601357217 /nfs/dbraw/zinc/35/72/17/601357217.db2.gz QKRDCIQCPWXHMK-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1nc(NC(=O)c2cc(Cl)ccc2[O-])sc1C(=O)[O-] ZINC000833001968 601377070 /nfs/dbraw/zinc/37/70/70/601377070.db2.gz GBSPZBWWVJQKRP-UHFFFAOYSA-N -2 0 312.734 2.761 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1F ZINC000832955770 602115255 /nfs/dbraw/zinc/11/52/55/602115255.db2.gz CEYCSZNZQKZTJJ-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000739982816 602653159 /nfs/dbraw/zinc/65/31/59/602653159.db2.gz PZDKMPLSNRZXAN-UHFFFAOYSA-N -2 0 322.342 2.586 20 0 DFADRL O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000832324342 603614124 /nfs/dbraw/zinc/61/41/24/603614124.db2.gz HPWQTYAPWMLOGG-IUCAKERBSA-N -2 0 312.753 2.811 20 0 DFADRL Cc1sc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])c1C ZINC000106789265 605022344 /nfs/dbraw/zinc/02/23/44/605022344.db2.gz WQSNJRQOABIMSG-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c(F)c1 ZINC000833750978 605022575 /nfs/dbraw/zinc/02/25/75/605022575.db2.gz KKRKKTGWOYXYCM-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CCCCC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(=O)[O-] ZINC000833854002 606067265 /nfs/dbraw/zinc/06/72/65/606067265.db2.gz VBWJILQABLCSII-GFCCVEGCSA-N -2 0 308.334 2.540 20 0 DFADRL COc1ccc(O)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000137447134 398876473 /nfs/dbraw/zinc/87/64/73/398876473.db2.gz RFMJOTBAYQUWRW-UHFFFAOYSA-N -2 0 315.325 2.670 20 0 DFADRL Cc1ccccc1-c1nc(=NCCCCCC(=O)[O-])s[n-]1 ZINC000629765476 399718662 /nfs/dbraw/zinc/71/86/62/399718662.db2.gz BKQLNIYUEQLRBR-UHFFFAOYSA-N -2 0 305.403 2.992 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000356866804 147835054 /nfs/dbraw/zinc/83/50/54/147835054.db2.gz RJJNGPXQCCHYAZ-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL O=C([O-])CCc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000353159013 286566453 /nfs/dbraw/zinc/56/64/53/286566453.db2.gz GZBMWALHAKBCGN-UHFFFAOYSA-N -2 0 313.309 2.654 20 0 DFADRL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000055311154 425892843 /nfs/dbraw/zinc/89/28/43/425892843.db2.gz IZKJXMDWXZGAFZ-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000013340527 425753302 /nfs/dbraw/zinc/75/33/02/425753302.db2.gz VAWLPMTWIAWWJF-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000316725472 268345110 /nfs/dbraw/zinc/34/51/10/268345110.db2.gz MQPZFOYPGHDATJ-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(O)c1 ZINC000356036559 427994980 /nfs/dbraw/zinc/99/49/80/427994980.db2.gz PAZIXVKHCARPCX-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=S(=O)([N-]c1cnoc1C1CC1)c1cccc(Cl)c1[O-] ZINC000414390458 428280566 /nfs/dbraw/zinc/28/05/66/428280566.db2.gz XNPDTHFKBBYSDW-UHFFFAOYSA-N -2 0 314.750 2.712 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)o1 ZINC000345095831 428750651 /nfs/dbraw/zinc/75/06/51/428750651.db2.gz AHUFNFOCTLKTDP-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL CCC(CC)(CN=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424377808 429130758 /nfs/dbraw/zinc/13/07/58/429130758.db2.gz RWZLGBLPCCYUAX-UHFFFAOYSA-N -2 0 305.403 2.930 20 0 DFADRL CCCN(CC(=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000582606643 430315266 /nfs/dbraw/zinc/31/52/66/430315266.db2.gz SOUBXESLGASBFB-UHFFFAOYSA-N -2 0 306.145 2.636 20 0 DFADRL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C)c1O ZINC000643269511 430571985 /nfs/dbraw/zinc/57/19/85/430571985.db2.gz IVOQIRUUXABSRE-LBPRGKRZSA-N -2 0 301.408 2.503 20 0 DFADRL O=C([O-])C1(CN=c2[n-]nc(-c3ccccc3)s2)CCCC1 ZINC000649401812 431089906 /nfs/dbraw/zinc/08/99/06/431089906.db2.gz FHUDHIVZCLBKLD-UHFFFAOYSA-N -2 0 303.387 2.684 20 0 DFADRL O=C([O-])[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C1CC1 ZINC000663039720 431267771 /nfs/dbraw/zinc/26/77/71/431267771.db2.gz MHSPPCPKYVWIBJ-VIFPVBQESA-N -2 0 304.129 2.748 20 0 DFADRL CCCc1nc(=NC(=O)c2cc(F)cc(Cl)c2[O-])s[n-]1 ZINC000436772719 297033350 /nfs/dbraw/zinc/03/33/50/297033350.db2.gz LOPYZJNQERTQPN-UHFFFAOYSA-N -2 0 315.757 2.663 20 0 DFADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000437657191 297068133 /nfs/dbraw/zinc/06/81/33/297068133.db2.gz KTOYKOOFUGJMJA-UHFFFAOYSA-N -2 0 309.343 2.902 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000156245233 295333590 /nfs/dbraw/zinc/33/35/90/295333590.db2.gz DZMJIGRYZDEWPM-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL C[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1ncc(C(=O)[O-])s1 ZINC000567739475 302386149 /nfs/dbraw/zinc/38/61/49/302386149.db2.gz QYUQLMBBDZLPQA-LURJTMIESA-N -2 0 312.420 2.585 20 0 DFADRL C[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ncc(C(=O)[O-])s1 ZINC000579115879 318308264 /nfs/dbraw/zinc/30/82/64/318308264.db2.gz VXBXWZDUJPKOPW-SSDOTTSWSA-N -2 0 324.431 2.945 20 0 DFADRL Cc1oc(CN=c2nc(C3CCCC3)[n-]s2)cc1C(=O)[O-] ZINC000581134360 323480105 /nfs/dbraw/zinc/48/01/05/323480105.db2.gz QTYLUDVITQNVMH-UHFFFAOYSA-N -2 0 307.375 2.829 20 0 DFADRL CCC(C)(C)N(C)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000684894918 546298468 /nfs/dbraw/zinc/29/84/68/546298468.db2.gz NJKSUTAXUYVOIN-UHFFFAOYSA-N -2 0 308.334 2.735 20 0 DFADRL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000821509022 597458198 /nfs/dbraw/zinc/45/81/98/597458198.db2.gz IBTXDKNBOCJXTL-SECBINFHSA-N -2 0 318.156 2.778 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000061117858 599925387 /nfs/dbraw/zinc/92/53/87/599925387.db2.gz XNQJKFXWYXQYJR-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736310826 600241703 /nfs/dbraw/zinc/24/17/03/600241703.db2.gz WDCQRNJZPWIBPM-UHFFFAOYSA-N -2 0 313.737 2.868 20 0 DFADRL CC(C)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000827134297 600983512 /nfs/dbraw/zinc/98/35/12/600983512.db2.gz PWNVWWBJTCQHSZ-UHFFFAOYSA-N -2 0 320.370 2.704 20 0 DFADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830282035 601231157 /nfs/dbraw/zinc/23/11/57/601231157.db2.gz JLDOSWGPYZTTMZ-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000035426950 601357377 /nfs/dbraw/zinc/35/73/77/601357377.db2.gz RMPIAZCTKVDPRB-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)s1 ZINC000035426766 601357384 /nfs/dbraw/zinc/35/73/84/601357384.db2.gz VYZDBTSPYXKMDU-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(C)s1 ZINC000035426962 601357397 /nfs/dbraw/zinc/35/73/97/601357397.db2.gz YZVHBVQVRHHRJP-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000833343582 602116696 /nfs/dbraw/zinc/11/66/96/602116696.db2.gz ISAPXQLOATVPGZ-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])NCc1ccc(C(=O)Nc2cccc(Cl)c2[O-])o1 ZINC000832706531 603614410 /nfs/dbraw/zinc/61/44/10/603614410.db2.gz ZCJWAVINPIRSHZ-UHFFFAOYSA-N -2 0 310.693 2.659 20 0 DFADRL O=C([O-])NCC1(C(=O)Nc2cccc(Cl)c2[O-])CCCC1 ZINC000832447823 603801442 /nfs/dbraw/zinc/80/14/42/603801442.db2.gz VHYHHEWTHZYQIG-UHFFFAOYSA-N -2 0 312.753 2.812 20 0 DFADRL O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833772477 604702727 /nfs/dbraw/zinc/70/27/27/604702727.db2.gz XLRAGJTWJMXTNI-CYBMUJFWSA-N -2 0 319.744 2.888 20 0 DFADRL O=C([O-])C1CCC(NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000821406369 604999613 /nfs/dbraw/zinc/99/96/13/604999613.db2.gz TUSPYJLPHDXCIT-UHFFFAOYSA-N -2 0 315.728 2.558 20 0 DFADRL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000833466881 605221103 /nfs/dbraw/zinc/22/11/03/605221103.db2.gz BJOFIOUROKAJBN-SECBINFHSA-N -2 0 321.160 2.930 20 0 DFADRL O=C([O-])N1CC[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000834051796 605401947 /nfs/dbraw/zinc/40/19/47/605401947.db2.gz ODAVYCJEBWZBCW-ZCFIWIBFSA-N -2 0 319.144 2.637 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)sc1C ZINC000091010592 398500985 /nfs/dbraw/zinc/50/09/85/398500985.db2.gz ORFCPRWEPKMQHC-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])o1 ZINC000351289011 286120131 /nfs/dbraw/zinc/12/01/31/286120131.db2.gz MXOCVZWTNLEAEJ-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000055311148 425893019 /nfs/dbraw/zinc/89/30/19/425893019.db2.gz VZAUXZWXQQDTEX-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CC(=O)c1ccc([O-])c(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000679169694 544794791 /nfs/dbraw/zinc/79/47/91/544794791.db2.gz WNWSDVGOOHGSEI-UHFFFAOYSA-N -2 0 307.252 2.831 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000037396383 425847931 /nfs/dbraw/zinc/84/79/31/425847931.db2.gz KKNXQUPNOCHVCG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)o1 ZINC000342447876 272015265 /nfs/dbraw/zinc/01/52/65/272015265.db2.gz ZXJMWAWWNIZHRC-JTQLQIEISA-N -2 0 323.370 2.967 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cs1 ZINC000353596001 428614375 /nfs/dbraw/zinc/61/43/75/428614375.db2.gz HAJRRIDRXHHADH-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccco1 ZINC000358848301 428704330 /nfs/dbraw/zinc/70/43/30/428704330.db2.gz OIEZMVPSYBSIMG-UHFFFAOYSA-N -2 0 313.356 2.501 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)o1 ZINC000345087584 428746872 /nfs/dbraw/zinc/74/68/72/428746872.db2.gz BJTDDDSBWSYBNM-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000349040786 428904797 /nfs/dbraw/zinc/90/47/97/428904797.db2.gz SREGCJLZXSWWAR-SNVBAGLBSA-N -2 0 309.343 2.659 20 0 DFADRL C[C@H](Oc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000349113060 428920546 /nfs/dbraw/zinc/92/05/46/428920546.db2.gz PQWDEJCETNRETG-IYNCYZAOSA-N -2 0 319.338 2.864 20 0 DFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccsc2)ccc1Cl ZINC000349107415 428922012 /nfs/dbraw/zinc/92/20/12/428922012.db2.gz JTTFSUWQSXIRAY-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1 ZINC000560418240 430040675 /nfs/dbraw/zinc/04/06/75/430040675.db2.gz UHDWKLZRYJWCMW-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CCCCc1[n-]n(-c2ccc(C(=O)[O-])cc2OC)c(=O)c1C ZINC000634612118 430052604 /nfs/dbraw/zinc/05/26/04/430052604.db2.gz OJQBRZSHGOOAHN-SNVBAGLBSA-N -2 0 304.346 2.922 20 0 DFADRL Cc1nc(C=Cc2ccc(F)cc2F)[nH]c(=O)c1CCC(=O)[O-] ZINC000548419094 430474179 /nfs/dbraw/zinc/47/41/79/430474179.db2.gz UYWVHJDKTSTJLZ-UTCJRWHESA-N -2 0 320.295 2.956 20 0 DFADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000647261979 431532948 /nfs/dbraw/zinc/53/29/48/431532948.db2.gz HLUAFTACKHUEGG-SVRRBLITSA-N -2 0 318.156 2.682 20 0 DFADRL CO[C@@H](C)c1nc(=NC(=O)c2ccc(C(C)C)cc2[O-])s[n-]1 ZINC000436729573 297029406 /nfs/dbraw/zinc/02/94/06/297029406.db2.gz HETDQKRQOKPKHB-VIFPVBQESA-N -2 0 321.402 2.749 20 0 DFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442855099 297208501 /nfs/dbraw/zinc/20/85/01/297208501.db2.gz WXPIISSRNJLCHE-UHFFFAOYSA-N -2 0 323.351 2.993 20 0 DFADRL Cc1ccccc1-c1nc(=NC2CCC(C(=O)[O-])CC2)s[n-]1 ZINC000530251382 301034642 /nfs/dbraw/zinc/03/46/42/301034642.db2.gz UIGKJPSXYRLPEU-UHFFFAOYSA-N -2 0 317.414 2.991 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])o1 ZINC000563224271 302052657 /nfs/dbraw/zinc/05/26/57/302052657.db2.gz AERMAWAPSGYPIL-UHFFFAOYSA-N -2 0 323.370 2.796 20 0 DFADRL Cc1noc(C)c1-c1ccc(C(=O)[O-])c(C2(C(=O)[O-])CC2)c1 ZINC000576481520 318129951 /nfs/dbraw/zinc/12/99/51/318129951.db2.gz YKDTZOVEKQJPKO-UHFFFAOYSA-N -2 0 301.298 2.773 20 0 DFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000318832149 534188317 /nfs/dbraw/zinc/18/83/17/534188317.db2.gz FKDDEDVFCDGKPS-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000817756886 596919181 /nfs/dbraw/zinc/91/91/81/596919181.db2.gz CAYYIENFSIZFIL-MRVPVSSYSA-N -2 0 307.733 2.744 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1 ZINC000739741799 599831005 /nfs/dbraw/zinc/83/10/05/599831005.db2.gz GMSKYUJFRPHTKI-PTNGSMBKSA-N -2 0 313.309 2.560 20 0 DFADRL CCC(CC)(CC(=O)Nc1cc(OC)ccc1C(=O)[O-])C(=O)[O-] ZINC000736895296 600018921 /nfs/dbraw/zinc/01/89/21/600018921.db2.gz ZGGSIZDRQUOSFB-UHFFFAOYSA-N -2 0 323.345 2.613 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1F ZINC000740004938 600155413 /nfs/dbraw/zinc/15/54/13/600155413.db2.gz BRDSDELODSLICN-UHFFFAOYSA-N -2 0 324.308 2.889 20 0 DFADRL CC(C)c1ccc(NC(=O)CC(C)(C)C(=O)[O-])c(C(=O)[O-])c1 ZINC000736514714 600639756 /nfs/dbraw/zinc/63/97/56/600639756.db2.gz XNVDDWHKWDIBOS-UHFFFAOYSA-N -2 0 307.346 2.948 20 0 DFADRL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000827134065 600982424 /nfs/dbraw/zinc/98/24/24/600982424.db2.gz BDSIEACHRTYRST-UHFFFAOYSA-N -2 0 320.370 2.704 20 0 DFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000089750282 601116479 /nfs/dbraw/zinc/11/64/79/601116479.db2.gz HHRIPWOALVIZQK-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000828793994 601306635 /nfs/dbraw/zinc/30/66/35/601306635.db2.gz FMZCQWHFLNPCCS-UHFFFAOYSA-N -2 0 322.386 2.880 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000035426861 601357530 /nfs/dbraw/zinc/35/75/30/601357530.db2.gz FYDCRRFIZQWNSB-UHFFFAOYSA-N -2 0 323.804 2.962 20 0 DFADRL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000232210033 602320754 /nfs/dbraw/zinc/32/07/54/602320754.db2.gz WGYRMBYCPYSWQQ-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1 ZINC000823632775 603445891 /nfs/dbraw/zinc/44/58/91/603445891.db2.gz RUWPPBRJKRUWAE-UHFFFAOYSA-N -2 0 314.297 2.937 20 0 DFADRL O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000834053362 605927913 /nfs/dbraw/zinc/92/79/13/605927913.db2.gz LQTCXECDKULKCZ-VIFPVBQESA-N -2 0 324.764 2.764 20 0 DFADRL O=C([O-])Nc1ccc(NC(=O)c2cccc(Cl)c2[O-])cn1 ZINC000834262391 605993944 /nfs/dbraw/zinc/99/39/44/605993944.db2.gz ORAATONQGDYSIZ-UHFFFAOYSA-N -2 0 307.693 2.783 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)s1 ZINC000021500585 182275250 /nfs/dbraw/zinc/27/52/50/182275250.db2.gz OUPXSABXFCNRQM-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL CCc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c([O-])c1 ZINC000622350696 399249061 /nfs/dbraw/zinc/24/90/61/399249061.db2.gz PIWHLEGNEQNTRN-UHFFFAOYSA-N -2 0 305.403 2.778 20 0 DFADRL O=C([O-])c1ccc(CO)c(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c1 ZINC000630049901 399801334 /nfs/dbraw/zinc/80/13/34/399801334.db2.gz JXIRRBAYRAHODB-GVDBMIGSSA-N -2 0 324.332 2.514 20 0 DFADRL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(O)c1 ZINC000237603468 542904003 /nfs/dbraw/zinc/90/40/03/542904003.db2.gz FMMQVVRZTQKLMV-NSHDSACASA-N -2 0 305.355 2.708 20 0 DFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000349079392 285773978 /nfs/dbraw/zinc/77/39/78/285773978.db2.gz GNNQPHWELVNLIS-UHFFFAOYSA-N -2 0 313.356 2.501 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2c(C)cccc2F)cc(C(=O)[O-])c1 ZINC000507566852 543421365 /nfs/dbraw/zinc/42/13/65/543421365.db2.gz MOWUMWWLTACOGO-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])o1 ZINC000358569776 148387835 /nfs/dbraw/zinc/38/78/35/148387835.db2.gz XHOMUCXTTOGWEY-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CCc1cccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000361973940 149268868 /nfs/dbraw/zinc/26/88/68/149268868.db2.gz ZSBGOPRWJLHPFJ-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000070156384 425969146 /nfs/dbraw/zinc/96/91/46/425969146.db2.gz DEIROVMNFJTTHH-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1nc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])s1 ZINC000339210042 427733762 /nfs/dbraw/zinc/73/37/62/427733762.db2.gz JLVYGBAHUHNAKW-UHFFFAOYSA-N -2 0 318.807 2.920 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000356709654 428280697 /nfs/dbraw/zinc/28/06/97/428280697.db2.gz NTPZSWVVWWELIP-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000360512674 428328800 /nfs/dbraw/zinc/32/88/00/428328800.db2.gz RBMIVYBTYXJIEX-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C)c1 ZINC000433804546 429053273 /nfs/dbraw/zinc/05/32/73/429053273.db2.gz ZLCZVVXDHQTYFW-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424374841 429130953 /nfs/dbraw/zinc/13/09/53/429130953.db2.gz LSTHUSJQJRQXJG-GFCCVEGCSA-N -2 0 305.403 2.786 20 0 DFADRL O=C(Nc1ncccc1O)c1cccc(Br)c1[O-] ZINC000521609037 429558077 /nfs/dbraw/zinc/55/80/77/429558077.db2.gz HJIPOCIJBXSTSK-UHFFFAOYSA-N -2 0 309.119 2.508 20 0 DFADRL CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])nc3)c(=O)c2C1 ZINC000634609883 430052213 /nfs/dbraw/zinc/05/22/13/430052213.db2.gz LVVSAQVSXXPHFO-PWSUYJOCSA-N -2 0 301.346 2.555 20 0 DFADRL CC(C)Cc1nc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403652 431090235 /nfs/dbraw/zinc/09/02/35/431090235.db2.gz MXXDENLUJYSBNW-CHWSQXEVSA-N -2 0 317.414 2.884 20 0 DFADRL CC(C)c1n[n-]c(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403798 431090913 /nfs/dbraw/zinc/09/09/13/431090913.db2.gz SMBPACKNBYLINB-NEPJUHHUSA-N -2 0 303.387 2.809 20 0 DFADRL CC(C)(CCNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000647252140 431531310 /nfs/dbraw/zinc/53/13/10/431531310.db2.gz VDFCKDUOWNRZMW-UHFFFAOYSA-N -2 0 320.172 2.930 20 0 DFADRL Cc1sc(/C=C/c2ccc(O)c(C(=O)[O-])c2)nc1C(=O)[O-] ZINC000436828961 297037880 /nfs/dbraw/zinc/03/78/80/297037880.db2.gz KNTFHXXUQPHYCD-HWKANZROSA-N -2 0 305.311 2.724 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1 ZINC000739738946 599831164 /nfs/dbraw/zinc/83/11/64/599831164.db2.gz BPWFCMJTVUUXCD-PTNGSMBKSA-N -2 0 313.309 2.560 20 0 DFADRL CC(C)c1nc(/C=C/c2ccc(C(=O)[O-])o2)ncc1C(=O)[O-] ZINC000736526444 600659052 /nfs/dbraw/zinc/65/90/52/600659052.db2.gz WCCJZDDMJUBUIR-GQCTYLIASA-N -2 0 302.286 2.760 20 0 DFADRL Cc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1C(=O)[O-] ZINC000767201119 601110177 /nfs/dbraw/zinc/11/01/77/601110177.db2.gz LXSKGGBMSYENAR-UHFFFAOYSA-N -2 0 323.308 2.594 20 0 DFADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000819271202 601209761 /nfs/dbraw/zinc/20/97/61/601209761.db2.gz RHDWARMAXAQJKZ-SECBINFHSA-N -2 0 319.744 2.746 20 0 DFADRL CCC1CCC(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829112439 601217485 /nfs/dbraw/zinc/21/74/85/601217485.db2.gz KMTACEJLEFDCHJ-UHFFFAOYSA-N -2 0 315.391 2.533 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000035426870 601357281 /nfs/dbraw/zinc/35/72/81/601357281.db2.gz BRWFRNORMOCBSH-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL Cc1nc(NC(=O)c2ccc([O-])c(Cl)c2)sc1C(=O)[O-] ZINC000833002124 601378590 /nfs/dbraw/zinc/37/85/90/601378590.db2.gz NPLFXXWRFZEHCM-UHFFFAOYSA-N -2 0 312.734 2.761 20 0 DFADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832888654 602115715 /nfs/dbraw/zinc/11/57/15/602115715.db2.gz BDQHOUSUGYGNJH-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000833343669 602116543 /nfs/dbraw/zinc/11/65/43/602116543.db2.gz LSOOMPSEAXMAOQ-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000833343806 602116712 /nfs/dbraw/zinc/11/67/12/602116712.db2.gz PTFWRKSAQJMXTH-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000087844331 602141673 /nfs/dbraw/zinc/14/16/73/602141673.db2.gz RPCOLFKVEIWSKQ-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL CCC(CC)(CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC000828776385 602299210 /nfs/dbraw/zinc/29/92/10/602299210.db2.gz JCPFAGQTRXFGMW-UHFFFAOYSA-N -2 0 311.309 2.744 20 0 DFADRL O=C([O-])Nc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000740711774 602501124 /nfs/dbraw/zinc/50/11/24/602501124.db2.gz CIQPWLWRGJCVMW-UHFFFAOYSA-N -2 0 323.308 2.870 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-] ZINC000830619122 603242334 /nfs/dbraw/zinc/24/23/34/603242334.db2.gz AZQXPUJYOQOTTG-UHFFFAOYSA-N -2 0 312.372 2.947 20 0 DFADRL CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC000739300263 603309623 /nfs/dbraw/zinc/30/96/23/603309623.db2.gz YSZPABCUUYOORG-CYBMUJFWSA-N -2 0 300.742 2.811 20 0 DFADRL O=C([O-])Nc1ccc(NC(=O)c2c([O-])cccc2Cl)cn1 ZINC000834262806 605648309 /nfs/dbraw/zinc/64/83/09/605648309.db2.gz UOBVFMLSQFLWBG-UHFFFAOYSA-N -2 0 307.693 2.783 20 0 DFADRL CCCCC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(=O)[O-] ZINC000833854004 606067599 /nfs/dbraw/zinc/06/75/99/606067599.db2.gz VBWJILQABLCSII-LBPRGKRZSA-N -2 0 308.334 2.540 20 0 DFADRL CCC(CC)(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC000010824958 398379222 /nfs/dbraw/zinc/37/92/22/398379222.db2.gz JCAUBUHBVJPNDV-UHFFFAOYSA-N -2 0 310.306 2.520 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)c(C)c1C(=O)[O-] ZINC000338124095 284087967 /nfs/dbraw/zinc/08/79/67/284087967.db2.gz JYSQFEJAFVYJBB-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(C)cc1O ZINC000421137061 296237541 /nfs/dbraw/zinc/23/75/41/296237541.db2.gz FHOBNDPHBVAKOX-GFCCVEGCSA-N -2 0 301.408 2.503 20 0 DFADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000349106109 285781699 /nfs/dbraw/zinc/78/16/99/285781699.db2.gz JANFNHNHZMNGIK-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507543790 543421173 /nfs/dbraw/zinc/42/11/73/543421173.db2.gz AGNFPRAKISLUED-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccoc1)CCCC2 ZINC000350895851 286098216 /nfs/dbraw/zinc/09/82/16/286098216.db2.gz LIOFFACSWZULOY-UHFFFAOYSA-N -2 0 321.354 2.657 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cs1 ZINC000070156549 425968412 /nfs/dbraw/zinc/96/84/12/425968412.db2.gz OYCFCJWOYLIYHB-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000186903652 426605499 /nfs/dbraw/zinc/60/54/99/426605499.db2.gz FHPVNMHKNRLWBE-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000346414818 428162761 /nfs/dbraw/zinc/16/27/61/428162761.db2.gz WBQVGCRUFQSWNV-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000356740815 428290935 /nfs/dbraw/zinc/29/09/35/428290935.db2.gz KWIQSXHGOUOBKC-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccsc2)cc1F ZINC000518580809 429427884 /nfs/dbraw/zinc/42/78/84/429427884.db2.gz RPIKDUPBIPUORJ-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])cn3)c(=O)c2C1 ZINC000634610342 430051753 /nfs/dbraw/zinc/05/17/53/430051753.db2.gz VOMCRWJXAATIQH-CMPLNLGQSA-N -2 0 301.346 2.555 20 0 DFADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634612286 430052359 /nfs/dbraw/zinc/05/23/59/430052359.db2.gz UFBVPXJBOGKHCH-KOLCDFICSA-N -2 0 302.330 2.532 20 0 DFADRL Cc1ccc(O)c(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1 ZINC000555536482 430669386 /nfs/dbraw/zinc/66/93/86/430669386.db2.gz MJRLZIZNFLZQCL-UHFFFAOYSA-N -2 0 324.340 2.752 20 0 DFADRL CCOc1n[n-]c(=NCC2(C(=O)[O-])CCCC2)c2ccccc21 ZINC000649402160 431089807 /nfs/dbraw/zinc/08/98/07/431089807.db2.gz VSGPGBWTSAAKLE-UHFFFAOYSA-N -2 0 315.373 2.507 20 0 DFADRL O=C([O-])CCC1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000662884049 431224659 /nfs/dbraw/zinc/22/46/59/431224659.db2.gz QVGVAHQMRUMUDD-UHFFFAOYSA-N -2 0 312.753 2.514 20 0 DFADRL CC(C)c1nc(=NC[C@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650777121 431692599 /nfs/dbraw/zinc/69/25/99/431692599.db2.gz UXFKFVCBTWMJET-HNNXBMFYSA-N -2 0 305.403 2.538 20 0 DFADRL CC(C)c1nc(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650777122 431693819 /nfs/dbraw/zinc/69/38/19/431693819.db2.gz UXFKFVCBTWMJET-OAHLLOKOSA-N -2 0 305.403 2.538 20 0 DFADRL CC(C)(C)c1n[n-]c(=NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777146 431694171 /nfs/dbraw/zinc/69/41/71/431694171.db2.gz WFWUYLYQYWBXCZ-INIZCTEOSA-N -2 0 319.430 2.712 20 0 DFADRL CCCc1nc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)s[n-]1 ZINC000436978722 297049382 /nfs/dbraw/zinc/04/93/82/297049382.db2.gz WEOJWLKUHJGIMM-UHFFFAOYSA-N -2 0 315.757 2.663 20 0 DFADRL Cc1ccccc1-c1nc(=N[C@@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000530251970 301034585 /nfs/dbraw/zinc/03/45/85/301034585.db2.gz YRHMKWOGPJYLHV-LBPRGKRZSA-N -2 0 305.403 2.847 20 0 DFADRL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000819370747 597268095 /nfs/dbraw/zinc/26/80/95/597268095.db2.gz PHJFLXRYGRIJSD-MRVPVSSYSA-N -2 0 315.728 2.512 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000020593390 599734493 /nfs/dbraw/zinc/73/44/93/599734493.db2.gz VKPRYMNOPSLFAB-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000020593417 599734623 /nfs/dbraw/zinc/73/46/23/599734623.db2.gz KKBVOXLLDZFWMY-UHFFFAOYSA-N -2 0 309.343 2.902 20 0 DFADRL O=C([O-])CCc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000739759525 599811988 /nfs/dbraw/zinc/81/19/88/599811988.db2.gz DAEIBGSFRWDXFJ-UHFFFAOYSA-N -2 0 321.279 2.940 20 0 DFADRL O=C([O-])c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1O ZINC000317540659 600176863 /nfs/dbraw/zinc/17/68/63/600176863.db2.gz WKHCTIOULFYYHJ-MDZDMXLPSA-N -2 0 319.338 2.503 20 0 DFADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000314326562 600544580 /nfs/dbraw/zinc/54/45/80/600544580.db2.gz IKWPCHXENNGAOW-UHFFFAOYSA-N -2 0 323.370 2.903 20 0 DFADRL CC(C)c1nc(/C=C/c2ccoc2C(=O)[O-])ncc1C(=O)[O-] ZINC000736525857 600658964 /nfs/dbraw/zinc/65/89/64/600658964.db2.gz OHMSNPPMFIFGHF-ONEGZZNKSA-N -2 0 302.286 2.760 20 0 DFADRL Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)[O-])c1C ZINC000833037089 600670043 /nfs/dbraw/zinc/67/00/43/600670043.db2.gz VQSMXKGBPCDIGS-ZJUUUORDSA-N -2 0 323.370 2.669 20 0 DFADRL CCC(CC)(CC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC000828776987 601176494 /nfs/dbraw/zinc/17/64/94/601176494.db2.gz YRSOJNJMPJAQAA-UHFFFAOYSA-N -2 0 307.346 2.913 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000035426858 601357539 /nfs/dbraw/zinc/35/75/39/601357539.db2.gz MJQVNTYTMMPXMK-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000739981158 602645742 /nfs/dbraw/zinc/64/57/42/602645742.db2.gz FVXYSSKSVPVGHQ-UHFFFAOYSA-N -2 0 322.342 2.586 20 0 DFADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000091509356 604638791 /nfs/dbraw/zinc/63/87/91/604638791.db2.gz FCFFEPKCBNQLGI-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833511380 605053916 /nfs/dbraw/zinc/05/39/16/605053916.db2.gz OTGRQXHJQSLOFY-UHFFFAOYSA-N -2 0 320.370 2.704 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000833268241 606065602 /nfs/dbraw/zinc/06/56/02/606065602.db2.gz SMBVALYIXXUYND-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL C[C@@H](Oc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000338614140 284127500 /nfs/dbraw/zinc/12/75/00/284127500.db2.gz UQLWJNPBMHZZFQ-SSJHQANKSA-N -2 0 319.338 2.864 20 0 DFADRL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000421152143 296238493 /nfs/dbraw/zinc/23/84/93/296238493.db2.gz KGZCCJGIWCOPCX-SNVBAGLBSA-N -2 0 321.826 2.848 20 0 DFADRL Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])cc1C ZINC000013313257 542422057 /nfs/dbraw/zinc/42/20/57/542422057.db2.gz LHNCXVRKFJZQGW-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000350038574 285994205 /nfs/dbraw/zinc/99/42/05/285994205.db2.gz VNTCHQTWQYMTNA-UHFFFAOYSA-N -2 0 309.343 2.902 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000055311058 425892810 /nfs/dbraw/zinc/89/28/10/425892810.db2.gz YRBOZSAQCCWUTP-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000055311039 425892834 /nfs/dbraw/zinc/89/28/34/425892834.db2.gz QAGJQRJQQUFBBM-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1F ZINC000180020100 267710471 /nfs/dbraw/zinc/71/04/71/267710471.db2.gz BRHUNJFRYLAYOA-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C(=O)[O-] ZINC000152919711 426362133 /nfs/dbraw/zinc/36/21/33/426362133.db2.gz DZOAFTGREZSHNX-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1F ZINC000180465015 426861130 /nfs/dbraw/zinc/86/11/30/426861130.db2.gz VBBKIPOVZMYGDY-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL O=S(=O)([N-]c1cc(F)ccc1O)c1cccc(Cl)c1[O-] ZINC000339209435 427732660 /nfs/dbraw/zinc/73/26/60/427732660.db2.gz ALBOQQUQTNKEJM-UHFFFAOYSA-N -2 0 317.725 2.691 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccs2)c1 ZINC000356487733 428201796 /nfs/dbraw/zinc/20/17/96/428201796.db2.gz XTGLKSONOCTHMF-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000356695515 428275619 /nfs/dbraw/zinc/27/56/19/428275619.db2.gz ZOUMWFRPXPKATM-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000349081344 428916153 /nfs/dbraw/zinc/91/61/53/428916153.db2.gz IWVNWELGJWWRLV-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CC(=O)c1[n-]c(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1C ZINC000649403883 431089589 /nfs/dbraw/zinc/08/95/89/431089589.db2.gz VKWZBLMKVGRBJJ-QWHCGFSZSA-N -2 0 316.382 2.801 20 0 DFADRL CC(C)Cc1nc(=NC[C@](C)(C(=O)[O-])c2ccccc2)s[n-]1 ZINC000650776903 431693411 /nfs/dbraw/zinc/69/34/11/431693411.db2.gz MQJKESCPYOIFPF-INIZCTEOSA-N -2 0 319.430 2.613 20 0 DFADRL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000647923155 431731375 /nfs/dbraw/zinc/73/13/75/431731375.db2.gz DCZZVKUPJFHVRY-QWHCGFSZSA-N -2 0 319.810 2.745 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000439041541 297112921 /nfs/dbraw/zinc/11/29/21/297112921.db2.gz LLEURSHAJPSOPR-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000451029186 297734407 /nfs/dbraw/zinc/73/44/07/297734407.db2.gz TVKKVEVTLAVBQK-UHFFFAOYSA-N -2 0 316.766 2.705 20 0 DFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000358853917 301595251 /nfs/dbraw/zinc/59/52/51/301595251.db2.gz GBOMHUWRYMXFAR-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL C[C@@H]1CCC[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000320370566 316253331 /nfs/dbraw/zinc/25/33/31/316253331.db2.gz OODWFIHAVFQLGJ-AOOOYVTPSA-N -2 0 320.345 2.878 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000356752005 316551591 /nfs/dbraw/zinc/55/15/91/316551591.db2.gz NVHAADCHMDUEQR-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000547560063 317854619 /nfs/dbraw/zinc/85/46/19/317854619.db2.gz NRXNHBGTXTZSIR-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])Cc1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000821538724 598146091 /nfs/dbraw/zinc/14/60/91/598146091.db2.gz OPOIFHGMLHOXLY-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593434 599734617 /nfs/dbraw/zinc/73/46/17/599734617.db2.gz NCWCRXRSEILGAV-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000020593472 599735439 /nfs/dbraw/zinc/73/54/39/599735439.db2.gz DIUBRVOWUOPDGM-UHFFFAOYSA-N -2 0 309.343 2.902 20 0 DFADRL CCC(CC)(CC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(=O)[O-] ZINC000736893417 599859526 /nfs/dbraw/zinc/85/95/26/599859526.db2.gz JOIHYIVAOLXCNW-UHFFFAOYSA-N -2 0 321.373 2.923 20 0 DFADRL O=C([O-])CCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000739755918 599860166 /nfs/dbraw/zinc/86/01/66/599860166.db2.gz CGBUAPVTJHFOIA-UHFFFAOYSA-N -2 0 319.357 2.677 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000035306451 599873091 /nfs/dbraw/zinc/87/30/91/599873091.db2.gz OJUZCURRMXXGJK-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000035306460 599873148 /nfs/dbraw/zinc/87/31/48/599873148.db2.gz PQOHKQUNXPBOSW-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])[nH]1 ZINC000317377518 600175902 /nfs/dbraw/zinc/17/59/02/600175902.db2.gz PQRPZNYJOXVPEX-UHFFFAOYSA-N -2 0 322.386 2.747 20 0 DFADRL Cc1nc(NC(=O)c2ccc(Cl)cc2[O-])sc1C(=O)[O-] ZINC000833002252 601378713 /nfs/dbraw/zinc/37/87/13/601378713.db2.gz RFWFOTMDTYZISM-UHFFFAOYSA-N -2 0 312.734 2.761 20 0 DFADRL C[C@H](NC(=O)[O-])c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000825416123 603396059 /nfs/dbraw/zinc/39/60/59/603396059.db2.gz JSVMAXKWAOCDOX-JTQLQIEISA-N -2 0 322.361 2.845 20 0 DFADRL CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc([O-])c(Cl)c1 ZINC000826805743 604017506 /nfs/dbraw/zinc/01/75/06/604017506.db2.gz IAACERIMFXNPCH-JTQLQIEISA-N -2 0 314.769 2.602 20 0 DFADRL Cc1c(C(=O)[O-])sc2[nH]c(-c3ccc([O-])c(F)c3)nc(=O)c12 ZINC000832852782 604619904 /nfs/dbraw/zinc/61/99/04/604619904.db2.gz KHSMLHZAPAODHX-UHFFFAOYSA-N -2 0 320.301 2.503 20 0 DFADRL O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000833772517 605230377 /nfs/dbraw/zinc/23/03/77/605230377.db2.gz AZTVVSWADDNMDP-CYBMUJFWSA-N -2 0 319.744 2.991 20 0 DFADRL O=C([O-])Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000834263531 606037540 /nfs/dbraw/zinc/03/75/40/606037540.db2.gz ATGUEZJBTQBWON-UHFFFAOYSA-N -2 0 300.270 2.727 20 0 DFADRL CN(CC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000315596364 398526109 /nfs/dbraw/zinc/52/61/09/398526109.db2.gz OZRSXFVFFVAGED-UHFFFAOYSA-N -2 0 308.334 2.593 20 0 DFADRL C[C@H](Oc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1)C(=O)[O-] ZINC000338614139 284127553 /nfs/dbraw/zinc/12/75/53/284127553.db2.gz UQLWJNPBMHZZFQ-CYNONHLPSA-N -2 0 319.338 2.864 20 0 DFADRL CC(C)C1(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC000629294231 399565032 /nfs/dbraw/zinc/56/50/32/399565032.db2.gz CDNKEXAQRDRWJI-UHFFFAOYSA-N -2 0 319.329 2.593 20 0 DFADRL Cc1ccccc1-c1nc(=N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1 ZINC000629767571 399720069 /nfs/dbraw/zinc/72/00/69/399720069.db2.gz NCWIYAUJPPLJFZ-WDEREUQCSA-N -2 0 303.387 2.601 20 0 DFADRL Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c(C)c1 ZINC000319467907 543079759 /nfs/dbraw/zinc/07/97/59/543079759.db2.gz QZTPUPTTXYVGAN-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccoc2)cc1)C(=O)[O-] ZINC000349030086 285756261 /nfs/dbraw/zinc/75/62/61/285756261.db2.gz DKUSMRRSECFBOX-LBPRGKRZSA-N -2 0 323.370 2.734 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000350518527 543206198 /nfs/dbraw/zinc/20/61/98/543206198.db2.gz UZDIRUYYGWMDLH-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL COC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)[nH]1 ZINC000354559430 147077845 /nfs/dbraw/zinc/07/78/45/147077845.db2.gz KYTAQOUOQRSETP-UHFFFAOYSA-N -2 0 312.684 2.552 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000055311067 425892973 /nfs/dbraw/zinc/89/29/73/425892973.db2.gz ARHLBRQQCJBRDX-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000316786135 268345067 /nfs/dbraw/zinc/34/50/67/268345067.db2.gz WMPXCFZZLOHXHR-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000070156481 425968431 /nfs/dbraw/zinc/96/84/31/425968431.db2.gz UNJFQQNFDMBNOO-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(C)o1 ZINC000345118876 428761918 /nfs/dbraw/zinc/76/19/18/428761918.db2.gz MMLPEJZZGOSPAZ-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(C)o1 ZINC000345088853 428748658 /nfs/dbraw/zinc/74/86/58/428748658.db2.gz FUUCTRXXXXCPAW-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL O=C([O-])c1cc(/C=C\c2cccc(C(=O)[O-])c2Cl)ncn1 ZINC000526051921 429697775 /nfs/dbraw/zinc/69/77/75/429697775.db2.gz HFUAYWXTDYSZAY-PLNGDYQASA-N -2 0 304.689 2.697 20 0 DFADRL O=C([O-])[C@@H]1C[C@@H](N=c2nc(C3CC3)[n-]s2)c2ccccc21 ZINC000649403880 431090578 /nfs/dbraw/zinc/09/05/78/431090578.db2.gz VJPDMURFFGVPAF-VXGBXAGGSA-N -2 0 301.371 2.563 20 0 DFADRL CC(C)Cc1nc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403653 431090743 /nfs/dbraw/zinc/09/07/43/431090743.db2.gz MXXDENLUJYSBNW-OLZOCXBDSA-N -2 0 317.414 2.884 20 0 DFADRL CC(C)c1nc(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404044 431092390 /nfs/dbraw/zinc/09/23/90/431092390.db2.gz ZPKHLQGGMDHKST-NEPJUHHUSA-N -2 0 303.387 2.809 20 0 DFADRL O=C([O-])CC1(N=c2[n-]c(-c3cccc(Cl)c3)no2)CCC1 ZINC000650777231 431692967 /nfs/dbraw/zinc/69/29/67/431692967.db2.gz ZJKODFXPBBZWNB-UHFFFAOYSA-N -2 0 307.737 2.621 20 0 DFADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000565302837 302216931 /nfs/dbraw/zinc/21/69/31/302216931.db2.gz ICJXHRMUKKMHHL-CYBMUJFWSA-N -2 0 318.156 2.636 20 0 DFADRL COc1cc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)sn1 ZINC000576241671 318114037 /nfs/dbraw/zinc/11/40/37/318114037.db2.gz BRZUYXUWOQMIDV-UHFFFAOYSA-N -2 0 319.338 2.633 20 0 DFADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000821509023 597458046 /nfs/dbraw/zinc/45/80/46/597458046.db2.gz IBTXDKNBOCJXTL-VIFPVBQESA-N -2 0 318.156 2.778 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000035306682 599873257 /nfs/dbraw/zinc/87/32/57/599873257.db2.gz DRQXJRSPBVWEHX-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000736385177 600441723 /nfs/dbraw/zinc/44/17/23/600441723.db2.gz MRMMRMICRYRAOX-SECBINFHSA-N -2 0 306.145 2.538 20 0 DFADRL O=C([O-])CC1(CC(=O)Nc2ccsc2C(=O)[O-])CCCC1 ZINC000739634296 600466265 /nfs/dbraw/zinc/46/62/65/600466265.db2.gz LQCYVTQLQRZUTL-UHFFFAOYSA-N -2 0 311.359 2.810 20 0 DFADRL O=C([O-])CCCCCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833224784 601386402 /nfs/dbraw/zinc/38/64/02/601386402.db2.gz HFGFWSNXSOEMBX-UHFFFAOYSA-N -2 0 303.717 2.560 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)o1 ZINC000229988050 601985382 /nfs/dbraw/zinc/98/53/82/601985382.db2.gz AHLHJRCYXQNHRH-UHFFFAOYSA-N -2 0 319.697 2.571 20 0 DFADRL O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000833772518 605230526 /nfs/dbraw/zinc/23/05/26/605230526.db2.gz AZTVVSWADDNMDP-ZDUSSCGKSA-N -2 0 319.744 2.991 20 0 DFADRL O=C([O-])N1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000834051795 605401909 /nfs/dbraw/zinc/40/19/09/605401909.db2.gz ODAVYCJEBWZBCW-LURJTMIESA-N -2 0 319.144 2.637 20 0 DFADRL O=C([O-])Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000834256605 606065563 /nfs/dbraw/zinc/06/55/63/606065563.db2.gz RCCQBLHDSAQTME-UHFFFAOYSA-N -2 0 318.260 2.866 20 0 DFADRL Cc1cc(F)c(S(=O)(=O)Nc2cccc(O)c2F)cc1F ZINC000131512403 283088465 /nfs/dbraw/zinc/08/84/65/283088465.db2.gz WIHRUXYTQMXNSY-UHFFFAOYSA-N -2 0 317.288 2.919 20 0 DFADRL CC(C)(C)CC[C@H](N=c1nc(C(F)(F)F)[n-]s1)C(=O)[O-] ZINC000416435802 295948695 /nfs/dbraw/zinc/94/86/95/295948695.db2.gz AKPLSIKTDVGFLB-LURJTMIESA-N -2 0 311.329 2.670 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1F ZINC000184633047 158033992 /nfs/dbraw/zinc/03/39/92/158033992.db2.gz USKQQPYDAJGUMK-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000055311126 425892829 /nfs/dbraw/zinc/89/28/29/425892829.db2.gz HXGOOBZKTRHADC-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1O ZINC000671660342 544094821 /nfs/dbraw/zinc/09/48/21/544094821.db2.gz DNQKVDPCRBBVCV-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000055312533 425893050 /nfs/dbraw/zinc/89/30/50/425893050.db2.gz ZZDKAIIFUDCYII-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000186903585 426605407 /nfs/dbraw/zinc/60/54/07/426605407.db2.gz UARLQUSVFOXNCR-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])cn1 ZINC000350971126 427997355 /nfs/dbraw/zinc/99/73/55/427997355.db2.gz LMLGLURTECJEJP-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2ncsc2c1 ZINC000359041208 428787489 /nfs/dbraw/zinc/78/74/89/428787489.db2.gz XNEALVPKDIITBU-UHFFFAOYSA-N -2 0 324.358 2.942 20 0 DFADRL CC(C)n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000451046672 429755700 /nfs/dbraw/zinc/75/57/00/429755700.db2.gz PSQARPZTZGPGAI-UHFFFAOYSA-N -2 0 315.782 2.624 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F ZINC000547557102 430403729 /nfs/dbraw/zinc/40/37/29/430403729.db2.gz IXGRYAOFRJBXOO-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CCCc1nc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404012 431091970 /nfs/dbraw/zinc/09/19/70/431091970.db2.gz YSRPANCTIFJWBM-RYUDHWBXSA-N -2 0 303.387 2.638 20 0 DFADRL CC(C)C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)CC(=O)[O-] ZINC000663139347 431301719 /nfs/dbraw/zinc/30/17/19/431301719.db2.gz AIGDNUKCSKVFLZ-VIFPVBQESA-N -2 0 315.316 2.537 20 0 DFADRL O=C(N=c1nc(-c2ccsc2)[n-]s1)c1c([O-])cccc1F ZINC000436973406 297049066 /nfs/dbraw/zinc/04/90/66/297049066.db2.gz SSNSXEUTKVDMRQ-UHFFFAOYSA-N -2 0 321.358 2.786 20 0 DFADRL CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(C(=O)[O-])cc2F)n1 ZINC000563437401 302072606 /nfs/dbraw/zinc/07/26/06/302072606.db2.gz IZVFFVZYASHPOK-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL O=C([O-])c1cc(/C=C/c2cccc(C(=O)[O-])c2Cl)ncn1 ZINC000526051922 317737572 /nfs/dbraw/zinc/73/75/72/317737572.db2.gz HFUAYWXTDYSZAY-SNAWJCMRSA-N -2 0 304.689 2.697 20 0 DFADRL CC(C)(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC000736310627 600639880 /nfs/dbraw/zinc/63/98/80/600639880.db2.gz QRMAMOJODYKQKI-UHFFFAOYSA-N -2 0 315.325 2.977 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c[nH]1 ZINC000097286886 600669891 /nfs/dbraw/zinc/66/98/91/600669891.db2.gz JHRNYDUBSJUIQH-UHFFFAOYSA-N -2 0 316.338 2.667 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000035426884 601357432 /nfs/dbraw/zinc/35/74/32/601357432.db2.gz HTSGTRJKCFOHQW-UHFFFAOYSA-N -2 0 323.395 2.736 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1F ZINC000832903383 602115783 /nfs/dbraw/zinc/11/57/83/602115783.db2.gz AXUJQCSGDFFSED-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000087844418 602141750 /nfs/dbraw/zinc/14/17/50/602141750.db2.gz DJTJLILEEKFYKX-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000740715950 602653724 /nfs/dbraw/zinc/65/37/24/602653724.db2.gz ITZNVCMUQNKZFE-UHFFFAOYSA-N -2 0 310.306 2.716 20 0 DFADRL O=C([O-])c1ccnc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000833334837 604274573 /nfs/dbraw/zinc/27/45/73/604274573.db2.gz LYQCUMHSBPLZCY-UHFFFAOYSA-N -2 0 310.668 2.530 20 0 DFADRL CC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000833642849 604722765 /nfs/dbraw/zinc/72/27/65/604722765.db2.gz JBKOBEHLCKHMGX-GFCCVEGCSA-N -2 0 307.733 2.792 20 0 DFADRL C[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)[O-] ZINC000832835910 604927317 /nfs/dbraw/zinc/92/73/17/604927317.db2.gz RQVKLONYZOVDOC-VIFPVBQESA-N -2 0 319.744 2.916 20 0 DFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccs1 ZINC000833741340 605126550 /nfs/dbraw/zinc/12/65/50/605126550.db2.gz IOKLRDLISOBGDS-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)o1 ZINC000833902339 606013111 /nfs/dbraw/zinc/01/31/11/606013111.db2.gz YXRIMINRUALHRN-UHFFFAOYSA-N -2 0 310.331 2.787 20 0 DFADRL O=C([O-])Cc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833270660 606051949 /nfs/dbraw/zinc/05/19/49/606051949.db2.gz AWGPVSLQVHPVGD-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000089750359 398465187 /nfs/dbraw/zinc/46/51/87/398465187.db2.gz BFZPKUDSTBALNV-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000316042316 532956544 /nfs/dbraw/zinc/95/65/44/532956544.db2.gz MXRQZSAFDNFLIQ-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccn1C ZINC000414383498 543326363 /nfs/dbraw/zinc/32/63/63/543326363.db2.gz RXVBQKMDQMTSMY-UHFFFAOYSA-N -2 0 322.386 2.648 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000036983420 425847109 /nfs/dbraw/zinc/84/71/09/425847109.db2.gz GWVIPVXSTSBCFC-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])s1 ZINC000048443356 425875762 /nfs/dbraw/zinc/87/57/62/425875762.db2.gz NEICHKUGDYEDIA-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL O=S(=O)([N-]c1cccc(O)c1F)c1c(F)cccc1F ZINC000127887574 426090734 /nfs/dbraw/zinc/09/07/34/426090734.db2.gz PFBNWCRXGMPXST-UHFFFAOYSA-N -2 0 303.261 2.610 20 0 DFADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000414372038 428275870 /nfs/dbraw/zinc/27/58/70/428275870.db2.gz OLWUKHIWTRWPKS-UHFFFAOYSA-N -2 0 315.435 2.856 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000356783862 428307120 /nfs/dbraw/zinc/30/71/20/428307120.db2.gz FQVQTNSTSVPCKB-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c(C(=O)[O-])c1 ZINC000345087519 428746190 /nfs/dbraw/zinc/74/61/90/428746190.db2.gz AMYNOVLJYJJJHT-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000433801887 429050635 /nfs/dbraw/zinc/05/06/35/429050635.db2.gz MWVGBZNPBPOJGG-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)(CCN=c1[n-]c(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC000424375104 429130943 /nfs/dbraw/zinc/13/09/43/429130943.db2.gz MEOJDNCQTDQNQV-UHFFFAOYSA-N -2 0 309.753 2.725 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442821720 429236878 /nfs/dbraw/zinc/23/68/78/429236878.db2.gz CAZVUELUSOIABD-UHFFFAOYSA-N -2 0 321.310 2.833 20 0 DFADRL CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])cn3)c(=O)c2C1 ZINC000634610345 430052855 /nfs/dbraw/zinc/05/28/55/430052855.db2.gz VOMCRWJXAATIQH-ZYHUDNBSSA-N -2 0 301.346 2.555 20 0 DFADRL O=C([O-])C1(CN=c2[n-]nc(Cc3ccccc3)s2)CCCC1 ZINC000649401843 431090841 /nfs/dbraw/zinc/09/08/41/431090841.db2.gz KGRCZEBKPRRQAR-UHFFFAOYSA-N -2 0 317.414 2.608 20 0 DFADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC000358864718 298314967 /nfs/dbraw/zinc/31/49/67/298314967.db2.gz LDLOSRPTWMQHJR-SNVBAGLBSA-N -2 0 309.343 2.659 20 0 DFADRL Cn1ncc(Cl)c1-c1ccc(C(=O)[O-])c(C2(C(=O)[O-])CC2)c1 ZINC000570529329 302578455 /nfs/dbraw/zinc/57/84/55/302578455.db2.gz NKUOZTSZUXNMKW-UHFFFAOYSA-N -2 0 320.732 2.555 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000433824304 316894996 /nfs/dbraw/zinc/89/49/96/316894996.db2.gz UCDHYTMVZQJNQW-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)(C)c1nc(=NC[C@@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000576470239 318128545 /nfs/dbraw/zinc/12/85/45/318128545.db2.gz ZJSRUNPPNKQRMO-GFCCVEGCSA-N -2 0 319.430 2.613 20 0 DFADRL C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1ncc(C(=O)[O-])s1 ZINC000579115880 318308453 /nfs/dbraw/zinc/30/84/53/318308453.db2.gz VXBXWZDUJPKOPW-ZETCQYMHSA-N -2 0 324.431 2.945 20 0 DFADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000317066040 599852759 /nfs/dbraw/zinc/85/27/59/599852759.db2.gz XXNQEFLDLQGCGT-UHFFFAOYSA-N -2 0 323.345 2.644 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736310017 599981775 /nfs/dbraw/zinc/98/17/75/599981775.db2.gz KAFGIELWNZMYDI-CYBMUJFWSA-N -2 0 321.373 2.600 20 0 DFADRL O=C([O-])CCCCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000739670849 600102050 /nfs/dbraw/zinc/10/20/50/600102050.db2.gz IXDRKNAABPEMBD-UHFFFAOYSA-N -2 0 306.145 2.684 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F ZINC000740006637 600155422 /nfs/dbraw/zinc/15/54/22/600155422.db2.gz RMIZFIUBSCDJKK-UWVGGRQHSA-N -2 0 322.292 2.521 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)c(F)cc1F ZINC000833306319 600684849 /nfs/dbraw/zinc/68/48/49/600684849.db2.gz PTAHCLFGGODYDZ-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000314392937 601359325 /nfs/dbraw/zinc/35/93/25/601359325.db2.gz WCTCFGQOOHCPAI-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000314095500 601359636 /nfs/dbraw/zinc/35/96/36/601359636.db2.gz YKZMODPLELNKFZ-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000832930652 601602754 /nfs/dbraw/zinc/60/27/54/601602754.db2.gz YYRUEVNQTKWNMH-SREVYHEPSA-N -2 0 324.383 2.562 20 0 DFADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000832930654 601602936 /nfs/dbraw/zinc/60/29/36/601602936.db2.gz YYRUEVNQTKWNMH-VOTSOKGWSA-N -2 0 324.383 2.562 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823886592 603911061 /nfs/dbraw/zinc/91/10/61/603911061.db2.gz UNINLGWNDUUADI-UHFFFAOYSA-N -2 0 320.345 2.557 20 0 DFADRL O=C([O-])C1CCC(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1 ZINC000833772012 605215719 /nfs/dbraw/zinc/21/57/19/605215719.db2.gz BVTLFTVQXKOCLJ-UHFFFAOYSA-N -2 0 320.370 2.946 20 0 DFADRL O=C([O-])N1CCC[C@H]1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000833997414 605539213 /nfs/dbraw/zinc/53/92/13/605539213.db2.gz YCXZRLIRVBDEMF-VIFPVBQESA-N -2 0 312.753 2.907 20 0 DFADRL O=C([O-])CC1(NC(=O)c2ccc(NC(=O)[O-])cc2)CCCCC1 ZINC000834061726 606052431 /nfs/dbraw/zinc/05/24/31/606052431.db2.gz YVNXWHMCWPZEJI-UHFFFAOYSA-N -2 0 320.345 2.684 20 0 DFADRL Cc1ccc([O-])c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000614688918 399259501 /nfs/dbraw/zinc/25/95/01/399259501.db2.gz GSVZUMQUXZOYIF-UHFFFAOYSA-N -2 0 311.366 2.893 20 0 DFADRL O=C([O-])c1ccc(CO)c(-c2ccc3c(c2)C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000630049900 399801063 /nfs/dbraw/zinc/80/10/63/399801063.db2.gz JXIRRBAYRAHODB-BBWFWOEESA-N -2 0 324.332 2.514 20 0 DFADRL O=C([O-])c1ccc(-c2cccc3c2C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c(CO)c1 ZINC000630050754 399802766 /nfs/dbraw/zinc/80/27/66/399802766.db2.gz VDUBHMSQUVSFNR-BBWFWOEESA-N -2 0 324.332 2.514 20 0 DFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000349107168 285782121 /nfs/dbraw/zinc/78/21/21/285782121.db2.gz KPDQHGSNKZNLTK-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])cc1C ZINC000350969528 286102157 /nfs/dbraw/zinc/10/21/57/286102157.db2.gz DYGOSIVRDVGZTM-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)o1 ZINC000358567101 158390702 /nfs/dbraw/zinc/39/07/02/158390702.db2.gz NTIDEJDSBXMAQK-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000055311133 425892898 /nfs/dbraw/zinc/89/28/98/425892898.db2.gz JXCRQZPSSIWRSL-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL CCc1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)[nH]1 ZINC000123018112 426409298 /nfs/dbraw/zinc/40/92/98/426409298.db2.gz BWGNYHDPBPOJFV-UHFFFAOYSA-N -2 0 317.736 2.928 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000187046453 426623794 /nfs/dbraw/zinc/62/37/94/426623794.db2.gz QXKJPLNHOQUJOB-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634612285 430052053 /nfs/dbraw/zinc/05/20/53/430052053.db2.gz UFBVPXJBOGKHCH-GXSJLCMTSA-N -2 0 302.330 2.532 20 0 DFADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000547560047 430404270 /nfs/dbraw/zinc/40/42/70/430404270.db2.gz MGWJTPYWVMMGMP-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccs1 ZINC000547875028 430431249 /nfs/dbraw/zinc/43/12/49/430431249.db2.gz UFEZLRWHRXSFRR-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)(C)c1nc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[n-]o1 ZINC000649403958 431089468 /nfs/dbraw/zinc/08/94/68/431089468.db2.gz XLMSEPOTRVHUQN-NWDGAFQWSA-N -2 0 301.346 2.514 20 0 DFADRL O=C([O-])c1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(F)c1 ZINC000663025317 431260594 /nfs/dbraw/zinc/26/05/94/431260594.db2.gz GQMKISWSGOROFZ-UHFFFAOYSA-N -2 0 323.320 2.888 20 0 DFADRL O=C(Nc1ncccc1O)c1ccc(Br)cc1[O-] ZINC000436807701 297036300 /nfs/dbraw/zinc/03/63/00/297036300.db2.gz FYNYTRASHWQXGG-UHFFFAOYSA-N -2 0 309.119 2.508 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cs1 ZINC000442839410 297208052 /nfs/dbraw/zinc/20/80/52/297208052.db2.gz WHBYHPBZPZJYHM-UHFFFAOYSA-N -2 0 323.351 2.993 20 0 DFADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000575059758 318060417 /nfs/dbraw/zinc/06/04/17/318060417.db2.gz IWKYNBCVFBCLRZ-VIFPVBQESA-N -2 0 306.145 2.994 20 0 DFADRL CC(C)n1cc(-c2ccc(C(=O)[O-])cc2CO)cc1C(=O)[O-] ZINC000577388731 318190020 /nfs/dbraw/zinc/19/00/20/318190020.db2.gz LTQJVQWVNHZCHI-UHFFFAOYSA-N -2 0 303.314 2.625 20 0 DFADRL O=C([O-])CC1(CC(=O)Nc2cccc(F)c2C(=O)[O-])CCCC1 ZINC000739634919 599860313 /nfs/dbraw/zinc/86/03/13/599860313.db2.gz OYMWSDKKKKHIMK-UHFFFAOYSA-N -2 0 323.320 2.888 20 0 DFADRL O=C([O-])c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1O ZINC000317540658 600176992 /nfs/dbraw/zinc/17/69/92/600176992.db2.gz WKHCTIOULFYYHJ-KTKRTIGZSA-N -2 0 319.338 2.503 20 0 DFADRL Cc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C(=O)[O-])[nH]1 ZINC000322224710 600256417 /nfs/dbraw/zinc/25/64/17/600256417.db2.gz VNTKCMVIYYGZHK-UHFFFAOYSA-N -2 0 311.297 2.527 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000832879031 601231120 /nfs/dbraw/zinc/23/11/20/601231120.db2.gz ORDWVVMTYPJBMM-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1C ZINC000035426882 601357295 /nfs/dbraw/zinc/35/72/95/601357295.db2.gz PIACDEDLXISZDG-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000833348483 601558416 /nfs/dbraw/zinc/55/84/16/601558416.db2.gz WLPVCORVAHCLRK-UHFFFAOYSA-N -2 0 323.351 2.993 20 0 DFADRL CCCCC[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000829333955 601747355 /nfs/dbraw/zinc/74/73/55/601747355.db2.gz XIWCLQWKJRZFSR-LLVKDONJSA-N -2 0 322.386 2.880 20 0 DFADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000833187304 604329076 /nfs/dbraw/zinc/32/90/76/604329076.db2.gz RIXPAMYHPWWUIY-RKDXNWHRSA-N -2 0 320.370 2.946 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1C(=O)[O-] ZINC000832887764 604642593 /nfs/dbraw/zinc/64/25/93/604642593.db2.gz DVWZYVFRGOQQPE-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC000833749584 605022587 /nfs/dbraw/zinc/02/25/87/605022587.db2.gz NYXVWJHPSZGIJR-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000833741276 605124588 /nfs/dbraw/zinc/12/45/88/605124588.db2.gz FQFSFBXDMTUKHC-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)s1 ZINC000833751113 605128355 /nfs/dbraw/zinc/12/83/55/605128355.db2.gz OMTXIDCBZMFEFR-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL Cc1ccc(NC(=O)[O-])cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000833906648 605992165 /nfs/dbraw/zinc/99/21/65/605992165.db2.gz VSGFAWRBFROIHT-NEPJUHHUSA-N -2 0 318.329 2.690 20 0 DFADRL O=C([O-])Nc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000834256447 606037688 /nfs/dbraw/zinc/03/76/88/606037688.db2.gz QNYRABRVKBRMOF-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000833268082 606065929 /nfs/dbraw/zinc/06/59/29/606065929.db2.gz ZADZSNKRZKDNTF-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000315665613 231143498 /nfs/dbraw/zinc/14/34/98/231143498.db2.gz JTDISOPOIIGTCF-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084919964 398410528 /nfs/dbraw/zinc/41/05/28/398410528.db2.gz QQORYXLTLVEFBA-UHFFFAOYSA-N -2 0 317.322 2.932 20 0 DFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C ZINC000096697673 398661226 /nfs/dbraw/zinc/66/12/26/398661226.db2.gz WEQAWYDRLPKFGY-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL Cc1cc(F)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000091509380 193067395 /nfs/dbraw/zinc/06/73/95/193067395.db2.gz AQIPYSUGQOOWFR-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000110988203 194377645 /nfs/dbraw/zinc/37/76/45/194377645.db2.gz JRCGFAHUUBEQOI-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1ccccc1-c1nc(=NC2(CC(=O)[O-])CCC2)s[n-]1 ZINC000629767249 399720013 /nfs/dbraw/zinc/72/00/13/399720013.db2.gz ISCLOYNKIIFTNM-UHFFFAOYSA-N -2 0 303.387 2.745 20 0 DFADRL Cc1ccc(O)c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000361914454 149253135 /nfs/dbraw/zinc/25/31/35/149253135.db2.gz CFSSKNDYCMTKER-UHFFFAOYSA-N -2 0 321.336 2.907 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cs1 ZINC000070156402 425969062 /nfs/dbraw/zinc/96/90/62/425969062.db2.gz SMDNFSYDJAGCIB-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000089750299 426305453 /nfs/dbraw/zinc/30/54/53/426305453.db2.gz WVRWBHLRKGRMEV-UHFFFAOYSA-N -2 0 311.384 2.566 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000186927755 426609604 /nfs/dbraw/zinc/60/96/04/426609604.db2.gz GAVBZDRNLLDGGA-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1F ZINC000180474691 426863281 /nfs/dbraw/zinc/86/32/81/426863281.db2.gz PYTOQGFFTWJLMQ-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC(C)(C)c1n[n-]c(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403427 431090286 /nfs/dbraw/zinc/09/02/86/431090286.db2.gz DDJFGEWSZUZHKI-VXGBXAGGSA-N -2 0 317.414 2.983 20 0 DFADRL O=C([O-])c1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663059893 431273486 /nfs/dbraw/zinc/27/34/86/431273486.db2.gz HOZQVABQVVRNFQ-UHFFFAOYSA-N -2 0 305.330 2.749 20 0 DFADRL CC(C)[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000656231558 431325321 /nfs/dbraw/zinc/32/53/21/431325321.db2.gz LSGLKMMWEZTGBK-MRVPVSSYSA-N -2 0 320.172 2.786 20 0 DFADRL O=C([O-])c1ccc(/C=C\c2cc(C(=O)[O-])ncn2)c(Cl)c1 ZINC000543117323 301424927 /nfs/dbraw/zinc/42/49/27/301424927.db2.gz OQOSSWQQWIWPMV-ARJAWSKDSA-N -2 0 304.689 2.697 20 0 DFADRL CC(C)c1nc(=N[C@H](CCC(=O)[O-])Cc2ccccc2)s[n-]1 ZINC000573667110 302715969 /nfs/dbraw/zinc/71/59/69/302715969.db2.gz GZGMCYIFZSXCIG-CYBMUJFWSA-N -2 0 319.430 2.971 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(C(=O)[O-])c1 ZINC000584267039 332176684 /nfs/dbraw/zinc/17/66/84/332176684.db2.gz ANJXMJRHVLAIID-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736310425 599859745 /nfs/dbraw/zinc/85/97/45/599859745.db2.gz NQEPJOBBAHDKLI-UHFFFAOYSA-N -2 0 307.346 2.533 20 0 DFADRL CC(C)(C(=O)[N-]OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736224125 599923467 /nfs/dbraw/zinc/92/34/67/599923467.db2.gz WHHVIQQDDPXVLD-UHFFFAOYSA-N -2 0 303.314 2.503 20 0 DFADRL CC(C)C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000818326211 600969202 /nfs/dbraw/zinc/96/92/02/600969202.db2.gz TVODLZPIOAKYQD-JTQLQIEISA-N -2 0 322.386 2.593 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000035426819 601357078 /nfs/dbraw/zinc/35/70/78/601357078.db2.gz VEANZHPHCCUMCR-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000830244669 601365719 /nfs/dbraw/zinc/36/57/19/601365719.db2.gz GCXQFIPQTWQDMB-UHFFFAOYSA-N -2 0 323.370 2.903 20 0 DFADRL Cn1cc(NC(=O)c2ccc3ccccc3c2O)cc1C(=O)[O-] ZINC000833052353 601760931 /nfs/dbraw/zinc/76/09/31/601760931.db2.gz ULAOUVHVESTVAB-UHFFFAOYSA-N -2 0 310.309 2.834 20 0 DFADRL Cc1sc([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1C ZINC000106789430 605022306 /nfs/dbraw/zinc/02/23/06/605022306.db2.gz KBYPFLJGRUONTK-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000833741231 605126394 /nfs/dbraw/zinc/12/63/94/605126394.db2.gz CWHVRQWZYYGLMG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000833775640 605231845 /nfs/dbraw/zinc/23/18/45/605231845.db2.gz OJVSSRSHWLTQRZ-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL O=C([O-])NCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000834232081 605402908 /nfs/dbraw/zinc/40/29/08/605402908.db2.gz OEKXPFLOXZYKML-UHFFFAOYSA-N -2 0 307.133 2.685 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000833454798 605717653 /nfs/dbraw/zinc/71/76/53/605717653.db2.gz QZIXSENMYHKHTA-UHFFFAOYSA-N -2 0 308.359 2.946 20 0 DFADRL CC(C)(C)c1nc(=NC(=O)c2ccc([O-])c(Cl)c2)s[n-]1 ZINC000590120206 398597895 /nfs/dbraw/zinc/59/78/95/398597895.db2.gz ONBGSXMCRRFRAO-UHFFFAOYSA-N -2 0 311.794 2.869 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1C ZINC000148777318 398916718 /nfs/dbraw/zinc/91/67/18/398916718.db2.gz SWGHYCVPHIQBPM-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000338614412 284127506 /nfs/dbraw/zinc/12/75/06/284127506.db2.gz WDTSQPORZRIZCD-PLNGDYQASA-N -2 0 319.338 2.865 20 0 DFADRL CN(C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1)C1CCCCC1 ZINC000278228275 214035288 /nfs/dbraw/zinc/03/52/88/214035288.db2.gz KAHAIDMDJSSFKU-UHFFFAOYSA-N -2 0 320.345 2.879 20 0 DFADRL COc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c(O)c1 ZINC000135456538 542653730 /nfs/dbraw/zinc/65/37/30/542653730.db2.gz RJJZHZJMCXZXPA-UHFFFAOYSA-N -2 0 313.231 2.776 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccccc2F)cc(C(=O)[O-])c1 ZINC000350478004 543205610 /nfs/dbraw/zinc/20/56/10/543205610.db2.gz MOTAPGWDXHVUIF-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)nc2)c1 ZINC000350901304 286099174 /nfs/dbraw/zinc/09/91/74/286099174.db2.gz ZKOVFPGAPGWVOF-UHFFFAOYSA-N -2 0 320.370 2.506 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000362125805 158488116 /nfs/dbraw/zinc/48/81/16/158488116.db2.gz PHWHKOAFEBJPNP-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000342612293 272030401 /nfs/dbraw/zinc/03/04/01/272030401.db2.gz DYXWGWWTDTULHS-UHFFFAOYSA-N -2 0 307.371 2.818 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000339210963 427733248 /nfs/dbraw/zinc/73/32/48/427733248.db2.gz SHNNZTUOELHKTG-UHFFFAOYSA-N -2 0 313.762 2.860 20 0 DFADRL O=C([O-])[C@H]1C[C@@H](N=c2nc(C3CC3)[n-]s2)c2ccccc21 ZINC000649403878 431090393 /nfs/dbraw/zinc/09/03/93/431090393.db2.gz VJPDMURFFGVPAF-NWDGAFQWSA-N -2 0 301.371 2.563 20 0 DFADRL CC(C)(C)c1n[n-]c(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403425 431090406 /nfs/dbraw/zinc/09/04/06/431090406.db2.gz DDJFGEWSZUZHKI-NWDGAFQWSA-N -2 0 317.414 2.983 20 0 DFADRL O=C([O-])CC[C@H]1CCCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000662887761 431228069 /nfs/dbraw/zinc/22/80/69/431228069.db2.gz QEJSTYMDYLIGKB-SECBINFHSA-N -2 0 312.753 2.514 20 0 DFADRL O=C([O-])CCc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000663025883 431260974 /nfs/dbraw/zinc/26/09/74/431260974.db2.gz LXNBEPDGOPDIES-OAHLLOKOSA-N -2 0 319.357 2.533 20 0 DFADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593435 599734520 /nfs/dbraw/zinc/73/45/20/599734520.db2.gz HSIDZGMNYPISFV-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)o1 ZINC000314273796 599734765 /nfs/dbraw/zinc/73/47/65/599734765.db2.gz UZMPRHQQAJZAHW-UHFFFAOYSA-N -2 0 317.322 2.932 20 0 DFADRL O=C([O-])c1ccc(CNC(=O)c2ccc3ccccc3c2O)o1 ZINC000321736338 600477649 /nfs/dbraw/zinc/47/76/49/600477649.db2.gz UCBFHLNEHYCNEZ-UHFFFAOYSA-N -2 0 311.293 2.767 20 0 DFADRL CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000736432445 600565491 /nfs/dbraw/zinc/56/54/91/600565491.db2.gz AXDLNZLTPOMSPS-UHFFFAOYSA-N -2 0 322.386 2.689 20 0 DFADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000828016624 602053537 /nfs/dbraw/zinc/05/35/37/602053537.db2.gz IZKXNPCHCZJDNJ-CYBMUJFWSA-N -2 0 318.156 2.636 20 0 DFADRL O=C([O-])CCCCCCNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833225041 604368653 /nfs/dbraw/zinc/36/86/53/604368653.db2.gz JUZVGKZHGXXHIE-UHFFFAOYSA-N -2 0 308.334 2.541 20 0 DFADRL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833772478 604702906 /nfs/dbraw/zinc/70/29/06/604702906.db2.gz XLRAGJTWJMXTNI-ZDUSSCGKSA-N -2 0 319.744 2.888 20 0 DFADRL CC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000833642850 604722634 /nfs/dbraw/zinc/72/26/34/604722634.db2.gz JBKOBEHLCKHMGX-LBPRGKRZSA-N -2 0 307.733 2.792 20 0 DFADRL O=C([O-])N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834052244 605690964 /nfs/dbraw/zinc/69/09/64/605690964.db2.gz PKFPPONTTWIHNK-LURJTMIESA-N -2 0 319.144 2.637 20 0 DFADRL O=C([O-])NC1(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CCC1 ZINC000832211079 605758050 /nfs/dbraw/zinc/75/80/50/605758050.db2.gz LTZSNPDMBRDZHW-UHFFFAOYSA-N -2 0 321.358 2.635 20 0 DFADRL O=C([O-])N1CCc2cc(NC(=O)c3ccc(F)cc3[O-])ccc21 ZINC000834052894 605829349 /nfs/dbraw/zinc/82/93/49/605829349.db2.gz LNYQLVFXKKRVOS-UHFFFAOYSA-N -2 0 316.288 2.824 20 0 DFADRL O=C([O-])Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cn1 ZINC000834262405 605857439 /nfs/dbraw/zinc/85/74/39/605857439.db2.gz PJMUSVAZQMRALV-UHFFFAOYSA-N -2 0 307.693 2.783 20 0 DFADRL O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000834053360 605927893 /nfs/dbraw/zinc/92/78/93/605927893.db2.gz LQTCXECDKULKCZ-SECBINFHSA-N -2 0 324.764 2.764 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000091436439 193054682 /nfs/dbraw/zinc/05/46/82/193054682.db2.gz UKPNWRBWTAKFMX-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c([O-])c1C ZINC000608361456 399256568 /nfs/dbraw/zinc/25/65/68/399256568.db2.gz ODPOSQHXYQMWKC-UHFFFAOYSA-N -2 0 305.403 2.832 20 0 DFADRL C[C@H](Oc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1)C(=O)[O-] ZINC000349108150 285781995 /nfs/dbraw/zinc/78/19/95/285781995.db2.gz KUDRAPCCPNUKNE-SROOVFNMSA-N -2 0 313.309 2.802 20 0 DFADRL Cc1sc(/C=C/c2cccc(OCC(=O)[O-])c2)nc1C(=O)[O-] ZINC000352036087 286275995 /nfs/dbraw/zinc/27/59/95/286275995.db2.gz VSNPBPDJIYYDQH-AATRIKPKSA-N -2 0 319.338 2.784 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000055311057 425893011 /nfs/dbraw/zinc/89/30/11/425893011.db2.gz ZYXIBYXLKJOPBB-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1O ZINC000675094267 544283496 /nfs/dbraw/zinc/28/34/96/544283496.db2.gz XKVCVNXHKYLSQB-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cs1 ZINC000193483435 268070056 /nfs/dbraw/zinc/07/00/56/268070056.db2.gz HPFUBOFSRMNGRJ-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000315932609 268343626 /nfs/dbraw/zinc/34/36/26/268343626.db2.gz RIWCWFXPSDYBFH-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000316661723 268345422 /nfs/dbraw/zinc/34/54/22/268345422.db2.gz BVJGSZAJXPASBY-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000317654156 268345433 /nfs/dbraw/zinc/34/54/33/268345433.db2.gz DBBWZPQRTLCVAP-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000078756627 426184847 /nfs/dbraw/zinc/18/48/47/426184847.db2.gz MYGOCNMJQHEBQG-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1 ZINC000340590934 427893135 /nfs/dbraw/zinc/89/31/35/427893135.db2.gz QNRIXKQVSANPKF-DAFODLJHSA-N -2 0 313.309 2.804 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1 ZINC000340590935 427893796 /nfs/dbraw/zinc/89/37/96/427893796.db2.gz QNRIXKQVSANPKF-RJRFIUFISA-N -2 0 313.309 2.804 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(O)c1 ZINC000340220354 427959486 /nfs/dbraw/zinc/95/94/86/427959486.db2.gz CRAMADLFCPMBCE-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1 ZINC000347425981 428573537 /nfs/dbraw/zinc/57/35/37/428573537.db2.gz YZKAPDTVYYFHDX-SNAWJCMRSA-N -2 0 313.309 2.804 20 0 DFADRL CCCc1ccc([N-]S(=O)(=O)c2ccco2)c(C(=O)[O-])c1 ZINC000358845997 428701491 /nfs/dbraw/zinc/70/14/91/428701491.db2.gz JBZDZVFXZBSHTF-UHFFFAOYSA-N -2 0 309.343 2.731 20 0 DFADRL CSc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000358857559 428706724 /nfs/dbraw/zinc/70/67/24/428706724.db2.gz MSHBZFPULXOUBT-UHFFFAOYSA-N -2 0 323.395 2.908 20 0 DFADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccoc2)cc1)C(=O)[O-] ZINC000349030085 428903253 /nfs/dbraw/zinc/90/32/53/428903253.db2.gz DKUSMRRSECFBOX-GFCCVEGCSA-N -2 0 323.370 2.734 20 0 DFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000435722414 429160875 /nfs/dbraw/zinc/16/08/75/429160875.db2.gz MYWZVHPQOXSRIL-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL O=C([O-])[C@@H]1C[C@@H](N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000649403774 431090533 /nfs/dbraw/zinc/09/05/33/431090533.db2.gz SADIEHRJCHHIBZ-RKDXNWHRSA-N -2 0 311.313 2.623 20 0 DFADRL CCC[C@@H](N=c1nc(-c2cc(F)cc(F)c2)[n-]s1)C(=O)[O-] ZINC000647456331 431589827 /nfs/dbraw/zinc/58/98/27/431589827.db2.gz JHQPJMVMPMMRLE-SNVBAGLBSA-N -2 0 313.329 2.570 20 0 DFADRL CC(C)(C)n1cc(-c2ccc(F)c(C(=O)[O-])c2)c(C(=O)[O-])n1 ZINC000657208161 431626236 /nfs/dbraw/zinc/62/62/36/431626236.db2.gz TZSNZVRFFOFPLE-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL CC(C)(C)n1ncc(C(=O)[O-])c1-c1ccc(F)c(C(=O)[O-])c1 ZINC000657208234 431626774 /nfs/dbraw/zinc/62/67/74/431626774.db2.gz YTOSYCVBDKGXMW-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL Cc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c([O-])c1 ZINC000436790960 297034272 /nfs/dbraw/zinc/03/42/72/297034272.db2.gz IDPUXZNPWXKHJI-UHFFFAOYSA-N -2 0 311.366 2.893 20 0 DFADRL CC(C)(C)c1nc(=NC(=O)c2ccc(Cl)cc2[O-])s[n-]1 ZINC000436862088 297040514 /nfs/dbraw/zinc/04/05/14/297040514.db2.gz GMDYOWKIKISXKR-UHFFFAOYSA-N -2 0 311.794 2.869 20 0 DFADRL O=C([O-])[C@@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000572246553 302651308 /nfs/dbraw/zinc/65/13/08/302651308.db2.gz GQHZJLLEBGPSQB-ZDUSSCGKSA-N -2 0 317.414 2.898 20 0 DFADRL C[C@H]1CCC[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000320370570 316253299 /nfs/dbraw/zinc/25/32/99/316253299.db2.gz OODWFIHAVFQLGJ-UWVGGRQHSA-N -2 0 320.345 2.878 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1C(=O)[O-] ZINC000433826730 316896041 /nfs/dbraw/zinc/89/60/41/316896041.db2.gz RMMYNVVFXNFLEB-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cc(Cl)c([N-]S(=O)(=O)c2ccco2)c(C(=O)[O-])c1 ZINC000575041482 318058566 /nfs/dbraw/zinc/05/85/66/318058566.db2.gz UOWVSADPUFVRBF-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CC(C)(C)c1nc(=NC[C@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000576470240 318128533 /nfs/dbraw/zinc/12/85/33/318128533.db2.gz ZJSRUNPPNKQRMO-LBPRGKRZSA-N -2 0 319.430 2.613 20 0 DFADRL C[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000577160448 318174416 /nfs/dbraw/zinc/17/44/16/318174416.db2.gz JRRAVTJHWGGJSD-AOOOYVTPSA-N -2 0 320.345 2.878 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000229619879 525604361 /nfs/dbraw/zinc/60/43/61/525604361.db2.gz OXUARDUNGRDBCU-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC000739300266 603310006 /nfs/dbraw/zinc/31/00/06/603310006.db2.gz YSZPABCUUYOORG-ZDUSSCGKSA-N -2 0 300.742 2.811 20 0 DFADRL CN(CCC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000818439939 597013336 /nfs/dbraw/zinc/01/33/36/597013336.db2.gz PJSHSFFPBFFWQZ-UHFFFAOYSA-N -2 0 307.733 2.746 20 0 DFADRL O=C([O-])Cc1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000821537959 598183604 /nfs/dbraw/zinc/18/36/04/598183604.db2.gz HMQADCNWVQSJPS-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL O=C([O-])CN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000324511366 600197406 /nfs/dbraw/zinc/19/74/06/600197406.db2.gz UHWSBLQXIKYIIO-UHFFFAOYSA-N -2 0 322.320 2.672 20 0 DFADRL O=C([O-])[C@H]1CN(C(=O)c2c([O-])cccc2Cl)c2ccccc21 ZINC000739613978 600366339 /nfs/dbraw/zinc/36/63/39/600366339.db2.gz NLKPPPBYKFEHAQ-JTQLQIEISA-N -2 0 317.728 2.874 20 0 DFADRL Cc1c(NC(=O)c2n[n-]c3ccccc3c2=O)cccc1C(=O)[O-] ZINC000738306702 600483733 /nfs/dbraw/zinc/48/37/33/600483733.db2.gz ZXPQKRLTQYIJMN-UHFFFAOYSA-N -2 0 323.308 2.594 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736309772 600501972 /nfs/dbraw/zinc/50/19/72/600501972.db2.gz INOFMTWIIMSLBM-UHFFFAOYSA-N -2 0 313.737 2.868 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F ZINC000740006639 600668893 /nfs/dbraw/zinc/66/88/93/600668893.db2.gz RMIZFIUBSCDJKK-ZJUUUORDSA-N -2 0 322.292 2.521 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1C(=O)[O-] ZINC000832935219 601231159 /nfs/dbraw/zinc/23/11/59/601231159.db2.gz CLDZZVDKZRJIDP-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CCc1cccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1O ZINC000830259705 601289681 /nfs/dbraw/zinc/28/96/81/601289681.db2.gz DQOMMVBARWFTQD-UHFFFAOYSA-N -2 0 311.337 2.809 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000035426784 601357421 /nfs/dbraw/zinc/35/74/21/601357421.db2.gz IQAOIJJZMANSJK-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832925333 602116053 /nfs/dbraw/zinc/11/60/53/602116053.db2.gz JJYCHRRHIFASHE-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000738331744 603229053 /nfs/dbraw/zinc/22/90/53/603229053.db2.gz SKNACPAOXXPWRR-UHFFFAOYSA-N -2 0 312.372 2.947 20 0 DFADRL CC(C)(C(=O)[N-]OCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833411372 605351360 /nfs/dbraw/zinc/35/13/60/605351360.db2.gz DULOFBWAAHFTLS-UHFFFAOYSA-N -2 0 313.353 2.910 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c(C)o1 ZINC000833902057 606015000 /nfs/dbraw/zinc/01/50/00/606015000.db2.gz VQVXUDDNXAUCCN-UHFFFAOYSA-N -2 0 310.331 2.787 20 0 DFADRL O=C([O-])CCCNC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000834060054 606033086 /nfs/dbraw/zinc/03/30/86/606033086.db2.gz NAEKHAVGGRGCOF-UHFFFAOYSA-N -2 0 316.313 2.524 20 0 DFADRL O=C([O-])Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000834256633 606037376 /nfs/dbraw/zinc/03/73/76/606037376.db2.gz RNFODPORBKBMHW-UHFFFAOYSA-N -2 0 300.270 2.727 20 0 DFADRL O=C([O-])CN(C(=O)c1cccc(NC(=O)[O-])c1)C1CCCCC1 ZINC000834066413 606052047 /nfs/dbraw/zinc/05/20/47/606052047.db2.gz TZNODMHRKQZOSF-UHFFFAOYSA-N -2 0 320.345 2.636 20 0 DFADRL Cc1cc(S(=O)(=O)Nc2cccc(O)c2F)c(F)cc1F ZINC000131511917 283088276 /nfs/dbraw/zinc/08/82/76/283088276.db2.gz LXVZJJJIDRUAFC-UHFFFAOYSA-N -2 0 317.288 2.919 20 0 DFADRL O=C([O-])c1ccc(-c2ccc3c(c2)C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c(CO)c1 ZINC000630050721 399802042 /nfs/dbraw/zinc/80/20/42/399802042.db2.gz UJQIMBLVJLTTOX-BBWFWOEESA-N -2 0 324.332 2.514 20 0 DFADRL CSc1ccc([O-])c(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c1 ZINC000628540486 400039183 /nfs/dbraw/zinc/03/91/83/400039183.db2.gz CSKXMCGGTMJMAH-UHFFFAOYSA-N -2 0 321.427 2.691 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000186984371 145740117 /nfs/dbraw/zinc/74/01/17/145740117.db2.gz WASTXXHXYCFOSI-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CCc1cccc(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c1[O-] ZINC000674670811 544249984 /nfs/dbraw/zinc/24/99/84/544249984.db2.gz IJGPJLIUXAINKW-UHFFFAOYSA-N -2 0 322.368 2.518 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000313239622 268339777 /nfs/dbraw/zinc/33/97/77/268339777.db2.gz RFOUNCWSPYPCLI-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(C)c1 ZINC000317751184 268345258 /nfs/dbraw/zinc/34/52/58/268345258.db2.gz PLEONTQXWGBEHQ-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000187001279 426620489 /nfs/dbraw/zinc/62/04/89/426620489.db2.gz QCRNIDSXQPKJQK-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC000336863755 427765945 /nfs/dbraw/zinc/76/59/45/427765945.db2.gz IMMFGZAVACTOLH-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(F)c1 ZINC000404992208 428575456 /nfs/dbraw/zinc/57/54/56/428575456.db2.gz CUDCZQXCBMYROF-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000349076347 428914717 /nfs/dbraw/zinc/91/47/17/428914717.db2.gz CIFFOAQZBXYCKT-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2n[nH]nc2c1 ZINC000349460724 428989790 /nfs/dbraw/zinc/98/97/90/428989790.db2.gz MTUBYTQKZJGJBW-UHFFFAOYSA-N -2 0 310.313 2.525 20 0 DFADRL CC(C)[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])nc3)c(=O)c2C1 ZINC000634609882 430052497 /nfs/dbraw/zinc/05/24/97/430052497.db2.gz LVVSAQVSXXPHFO-JQWIXIFHSA-N -2 0 301.346 2.555 20 0 DFADRL CC1(c2nc(=NC(=O)c3ccc([O-])c(Cl)c3)s[n-]2)CC1 ZINC000529703540 430054257 /nfs/dbraw/zinc/05/42/57/430054257.db2.gz INMVHQSZWMJSGP-UHFFFAOYSA-N -2 0 309.778 2.623 20 0 DFADRL CC(C)c1nc(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404047 431092060 /nfs/dbraw/zinc/09/20/60/431092060.db2.gz ZPKHLQGGMDHKST-VXGBXAGGSA-N -2 0 303.387 2.809 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000386430567 323319061 /nfs/dbraw/zinc/31/90/61/323319061.db2.gz QUHXVFPYXZEAHB-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CSc1ccc([C@H](CC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1 ZINC000738199585 599752443 /nfs/dbraw/zinc/75/24/43/599752443.db2.gz OBYZEEGTVCBHAI-VIFPVBQESA-N -2 0 307.293 2.603 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])s1 ZINC000008725709 599873321 /nfs/dbraw/zinc/87/33/21/599873321.db2.gz PACVOJXKTZQBFU-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL CC(C)(C(=O)[N-]OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736223777 599923429 /nfs/dbraw/zinc/92/34/29/599923429.db2.gz OKROWJZNGDRPSQ-UHFFFAOYSA-N -2 0 303.314 2.503 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1F ZINC000740006638 600155542 /nfs/dbraw/zinc/15/55/42/600155542.db2.gz RMIZFIUBSCDJKK-VHSXEESVSA-N -2 0 322.292 2.521 20 0 DFADRL O=C([O-])CCCCCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833224880 600883534 /nfs/dbraw/zinc/88/35/34/600883534.db2.gz DWAGCCWVCFQNKA-UHFFFAOYSA-N -2 0 322.386 2.881 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)[O-] ZINC000832972878 601231457 /nfs/dbraw/zinc/23/14/57/601231457.db2.gz KZAQKEDYHBHRJN-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL O=C([O-])CCC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000050922344 601823140 /nfs/dbraw/zinc/82/31/40/601823140.db2.gz FNVDPQZXGJTRIK-UHFFFAOYSA-N -2 0 311.765 2.763 20 0 DFADRL CCC(CC)(CC(=O)Nc1ccc([N+](=O)[O-])cc1[O-])C(=O)[O-] ZINC000022730337 398420506 /nfs/dbraw/zinc/42/05/06/398420506.db2.gz DSCBGNUZNACEBT-UHFFFAOYSA-N -2 0 310.306 2.520 20 0 DFADRL CCOC(=O)c1ccc(NC(=O)c2ccc(O)c(F)c2)c(O)c1 ZINC000613517855 399009571 /nfs/dbraw/zinc/00/95/71/399009571.db2.gz PGSLTMOYFRMQKE-UHFFFAOYSA-N -2 0 319.288 2.666 20 0 DFADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000091509340 193067296 /nfs/dbraw/zinc/06/72/96/193067296.db2.gz BHSOAYDCQHBAGZ-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000315948041 532955927 /nfs/dbraw/zinc/95/59/27/532955927.db2.gz JTFKNRYRBPWTBN-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL CCc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])cc1 ZINC000012970511 542422121 /nfs/dbraw/zinc/42/21/21/542422121.db2.gz AZJFULZMQKFZJU-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL Cc1ccccc1-c1nc(=NC[C@H](C(=O)[O-])C2CCC2)s[n-]1 ZINC000629767031 399719991 /nfs/dbraw/zinc/71/99/91/399719991.db2.gz FTKUMAQEKUEWLV-ZDUSSCGKSA-N -2 0 317.414 2.848 20 0 DFADRL O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c(CO)c1 ZINC000630050723 399802507 /nfs/dbraw/zinc/80/25/07/399802507.db2.gz UJQIMBLVJLTTOX-GVDBMIGSSA-N -2 0 324.332 2.514 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507580185 543421340 /nfs/dbraw/zinc/42/13/40/543421340.db2.gz BHWCVDIGJFARAK-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2F)cc(C(=O)[O-])c1 ZINC000507544431 543421264 /nfs/dbraw/zinc/42/12/64/543421264.db2.gz BVGWWWILARYNHR-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350828551 286093159 /nfs/dbraw/zinc/09/31/59/286093159.db2.gz HLMSCIGRKNXRDK-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1sc(/C=C\c2cccc(OCC(=O)[O-])c2)nc1C(=O)[O-] ZINC000352036088 286276049 /nfs/dbraw/zinc/27/60/49/286276049.db2.gz VSNPBPDJIYYDQH-WAYWQWQTSA-N -2 0 319.338 2.784 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000678477980 544681674 /nfs/dbraw/zinc/68/16/74/544681674.db2.gz DMAKPWFYMNZMPJ-UHFFFAOYSA-N -2 0 321.354 2.964 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])cc1C ZINC000194611742 426488634 /nfs/dbraw/zinc/48/86/34/426488634.db2.gz JJWPPSDOEJNTLA-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(O)c1 ZINC000237612376 426693867 /nfs/dbraw/zinc/69/38/67/426693867.db2.gz PDNRBHUKRAMCGF-OAHLLOKOSA-N -2 0 313.353 2.955 20 0 DFADRL C[C@@H](Oc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1)C(=O)[O-] ZINC000349108151 428921683 /nfs/dbraw/zinc/92/16/83/428921683.db2.gz KUDRAPCCPNUKNE-XGQHYKRYSA-N -2 0 313.309 2.802 20 0 DFADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000560416595 430040959 /nfs/dbraw/zinc/04/09/59/430040959.db2.gz KGCYQSUFJHQHDH-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663020417 431258614 /nfs/dbraw/zinc/25/86/14/431258614.db2.gz AZZXDTGAWAOIPQ-UHFFFAOYSA-N -2 0 319.357 2.677 20 0 DFADRL Cc1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)ccc1C(=O)[O-] ZINC000663025539 431261460 /nfs/dbraw/zinc/26/14/60/431261460.db2.gz JAKTXCLYHMHDHG-CYBMUJFWSA-N -2 0 305.330 2.523 20 0 DFADRL CC(C)[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000656231559 431325889 /nfs/dbraw/zinc/32/58/89/431325889.db2.gz LSGLKMMWEZTGBK-QMMMGPOBSA-N -2 0 320.172 2.786 20 0 DFADRL Cc1oncc1-c1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000657205442 431626932 /nfs/dbraw/zinc/62/69/32/431626932.db2.gz DWGGFSORZKAUHT-UHFFFAOYSA-N -2 0 303.314 2.991 20 0 DFADRL CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436974064 297049002 /nfs/dbraw/zinc/04/90/02/297049002.db2.gz ZYSUXNGMMQOYCY-UHFFFAOYSA-N -2 0 307.252 2.831 20 0 DFADRL Cc1ccccc1-c1nc(=N[C@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000530251969 301034433 /nfs/dbraw/zinc/03/44/33/301034433.db2.gz YRHMKWOGPJYLHV-GFCCVEGCSA-N -2 0 305.403 2.847 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cs1 ZINC000548477359 301593876 /nfs/dbraw/zinc/59/38/76/301593876.db2.gz KTEKCXIPDMIYQP-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000386991467 323322042 /nfs/dbraw/zinc/32/20/42/323322042.db2.gz FULZGKDBSCAHAG-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000387152647 323322693 /nfs/dbraw/zinc/32/26/93/323322693.db2.gz YZXRDMMCVAETEI-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000817756888 596919362 /nfs/dbraw/zinc/91/93/62/596919362.db2.gz CAYYIENFSIZFIL-QMMMGPOBSA-N -2 0 307.733 2.744 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000035306487 599873177 /nfs/dbraw/zinc/87/31/77/599873177.db2.gz AKGFJGUWYOHDKN-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL CCC(CC)(CC(=O)Nc1ccc(C(=O)[O-])c(C)c1)C(=O)[O-] ZINC000736894531 599985513 /nfs/dbraw/zinc/98/55/13/599985513.db2.gz QNLPJDQPISVZJV-UHFFFAOYSA-N -2 0 307.346 2.913 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1Cl ZINC000312321939 600817023 /nfs/dbraw/zinc/81/70/23/600817023.db2.gz ZUIFXESWTBUSMI-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000830265825 601231048 /nfs/dbraw/zinc/23/10/48/601231048.db2.gz SPKOECBZJUNAIX-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000832887800 601319534 /nfs/dbraw/zinc/31/95/34/601319534.db2.gz ILROPYROOZCCCA-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000832852607 601362682 /nfs/dbraw/zinc/36/26/82/601362682.db2.gz CCAHNOIDVRWWSP-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000832868501 601362701 /nfs/dbraw/zinc/36/27/01/601362701.db2.gz NJCHGOCHPUWJMB-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL O=C([O-])NC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCC1 ZINC000832180111 604277194 /nfs/dbraw/zinc/27/71/94/604277194.db2.gz ADTWWXQIJSYOMC-UHFFFAOYSA-N -2 0 321.358 2.635 20 0 DFADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000091509331 604640748 /nfs/dbraw/zinc/64/07/48/604640748.db2.gz OQFFHPNCEMBOPP-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833211716 604671765 /nfs/dbraw/zinc/67/17/65/604671765.db2.gz MFRLNRUKAZZBRC-ZETCQYMHSA-N -2 0 318.156 2.778 20 0 DFADRL CN(C(=O)[O-])c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000833685655 604946244 /nfs/dbraw/zinc/94/62/44/604946244.db2.gz PAABPOXPQWMSAG-UHFFFAOYSA-N -2 0 314.297 2.751 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])o1 ZINC000833751431 605302450 /nfs/dbraw/zinc/30/24/50/605302450.db2.gz YBZUYYGKYLZUMR-UHFFFAOYSA-N -2 0 315.372 2.765 20 0 DFADRL O=C([O-])N1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000834052247 605691072 /nfs/dbraw/zinc/69/10/72/605691072.db2.gz PKFPPONTTWIHNK-ZCFIWIBFSA-N -2 0 319.144 2.637 20 0 DFADRL O=C([O-])c1csc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000833784580 605782485 /nfs/dbraw/zinc/78/24/85/605782485.db2.gz CKOMKHUBOMAQGM-UHFFFAOYSA-N -2 0 317.244 2.822 20 0 DFADRL O=C([O-])N[C@H](C(=O)[N-]OC1CCCC1)c1cccc(Cl)c1 ZINC000834122625 605979055 /nfs/dbraw/zinc/97/90/55/605979055.db2.gz SKJJQASHSTWOKQ-LBPRGKRZSA-N -2 0 312.753 2.639 20 0 DFADRL COc1ccc(CN=c2nc(C(C)(C)C)[n-]s2)cc1C(=O)[O-] ZINC000584842954 398421105 /nfs/dbraw/zinc/42/11/05/398421105.db2.gz KNEGQTRZTKILKT-UHFFFAOYSA-N -2 0 321.402 2.576 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000038927934 398558006 /nfs/dbraw/zinc/55/80/06/398558006.db2.gz ZOUMDBYNUNDQSI-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000349040785 285759470 /nfs/dbraw/zinc/75/94/70/285759470.db2.gz SREGCJLZXSWWAR-JTQLQIEISA-N -2 0 309.343 2.659 20 0 DFADRL C[C@H](Oc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1)C(=O)[O-] ZINC000349108148 285781917 /nfs/dbraw/zinc/78/19/17/285781917.db2.gz KUDRAPCCPNUKNE-DGXRNCNBSA-N -2 0 313.309 2.802 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(C)c1 ZINC000170551971 145248966 /nfs/dbraw/zinc/24/89/66/145248966.db2.gz ZXHPKJZIJOSTPK-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000507564269 543421021 /nfs/dbraw/zinc/42/10/21/543421021.db2.gz JSOIZIKNCPSJSW-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])o1 ZINC000358564475 158390049 /nfs/dbraw/zinc/39/00/49/158390049.db2.gz KIUPATMZYZTAFI-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])s1 ZINC000013313215 425751430 /nfs/dbraw/zinc/75/14/30/425751430.db2.gz JKDZSWKRQOUTSP-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3O)c2)n1 ZINC000153686287 426398955 /nfs/dbraw/zinc/39/89/55/426398955.db2.gz NBAQCRCWEIJNLR-UHFFFAOYSA-N -2 0 321.336 2.703 20 0 DFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000336861724 427765349 /nfs/dbraw/zinc/76/53/49/427765349.db2.gz AFGIBIACKFVSDN-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000346402570 428157864 /nfs/dbraw/zinc/15/78/64/428157864.db2.gz AAYNKKROVLJQOO-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O)cc(C(=O)[O-])c1C ZINC000348450587 428748059 /nfs/dbraw/zinc/74/80/59/428748059.db2.gz COBVADKZDPGORS-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(C)o1 ZINC000345089428 428749304 /nfs/dbraw/zinc/74/93/04/428749304.db2.gz GXQUFSALLSNXNH-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccs2)cc1F ZINC000547933294 430431993 /nfs/dbraw/zinc/43/19/93/430431993.db2.gz SGXTZIJWNGUSIG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])o1 ZINC000552963549 430605097 /nfs/dbraw/zinc/60/50/97/430605097.db2.gz LMSXFVGPZAXHQP-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CC(=O)c1[n-]c(=N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1C ZINC000649403881 431090687 /nfs/dbraw/zinc/09/06/87/431090687.db2.gz VKWZBLMKVGRBJJ-CHWSQXEVSA-N -2 0 316.382 2.801 20 0 DFADRL O=C([O-])CC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCCC1 ZINC000663118950 431294454 /nfs/dbraw/zinc/29/44/54/431294454.db2.gz ADDHFTADOMMGLT-UHFFFAOYSA-N -2 0 313.300 2.578 20 0 DFADRL CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000653280410 431348754 /nfs/dbraw/zinc/34/87/54/431348754.db2.gz UEDLYRRMUVGUSL-UHFFFAOYSA-N -2 0 307.346 2.533 20 0 DFADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc2oc(=O)nc-2[n-]1 ZINC000646811207 431399321 /nfs/dbraw/zinc/39/93/21/431399321.db2.gz VKJYDIPKKVJHJZ-UHFFFAOYSA-N -2 0 305.677 2.540 20 0 DFADRL Cc1nc(C=Cc2ccc(O)c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000436815255 297036695 /nfs/dbraw/zinc/03/66/95/297036695.db2.gz KJNXKNNZNPHSQB-HWKANZROSA-N -3 0 320.732 2.647 20 0 DFADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cccc3n[nH]nc32)c1 ZINC000517212157 300386831 /nfs/dbraw/zinc/38/68/31/300386831.db2.gz ASTFOYAGSIMOCO-UHFFFAOYSA-N -2 0 310.313 2.509 20 0 DFADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1 ZINC000575447024 318077770 /nfs/dbraw/zinc/07/77/70/318077770.db2.gz WYSCNYYDKACZEB-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccsc32)c[nH]1 ZINC000386524132 323319227 /nfs/dbraw/zinc/31/92/27/323319227.db2.gz FOJVDYVZWUDSKF-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C(/C(=O)[O-])c2ccncc2)c1 ZINC000739741800 599831089 /nfs/dbraw/zinc/83/10/89/599831089.db2.gz GMSKYUJFRPHTKI-RVDMUPIBSA-N -2 0 313.309 2.560 20 0 DFADRL O=C([O-])COc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000739825517 600269120 /nfs/dbraw/zinc/26/91/20/600269120.db2.gz GPTFUSPKIXVZLA-UHFFFAOYSA-N -2 0 321.716 2.761 20 0 DFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000736488651 600639789 /nfs/dbraw/zinc/63/97/89/600639789.db2.gz VHYCPHIVQHGWTE-UHFFFAOYSA-N -2 0 323.345 2.611 20 0 DFADRL O=C([O-])[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1ccccc1 ZINC000833350023 601189387 /nfs/dbraw/zinc/18/93/87/601189387.db2.gz HXMROBAPDJEMHE-CYBMUJFWSA-N -2 0 308.236 2.653 20 0 DFADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832934154 602117799 /nfs/dbraw/zinc/11/77/99/602117799.db2.gz IILHDOORXIDSFJ-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(F)c1 ZINC000832955760 602117815 /nfs/dbraw/zinc/11/78/15/602117815.db2.gz ADGBFGJKDITGSL-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])N1CCc2c1cccc2[N-]S(=O)(=O)c1cccs1 ZINC000832079200 604015211 /nfs/dbraw/zinc/01/52/11/604015211.db2.gz GACIJDNFFBOLMX-UHFFFAOYSA-N -2 0 324.383 2.589 20 0 DFADRL C[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)[O-] ZINC000832814049 604327238 /nfs/dbraw/zinc/32/72/38/604327238.db2.gz RQVKLONYZOVDOC-SECBINFHSA-N -2 0 319.744 2.916 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000833268225 604369997 /nfs/dbraw/zinc/36/99/97/604369997.db2.gz DXTKSETZSQZSPE-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL O=C([O-])N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000834052541 605691076 /nfs/dbraw/zinc/69/10/76/605691076.db2.gz UVZDIFOLBGFHGB-SECBINFHSA-N -2 0 319.144 2.780 20 0 DFADRL O=C([O-])NCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000833776902 605969973 /nfs/dbraw/zinc/96/99/73/605969973.db2.gz BOTPGNTWCXDPTK-UHFFFAOYSA-N -2 0 313.524 2.559 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1F ZINC000313224928 231123673 /nfs/dbraw/zinc/12/36/73/231123673.db2.gz AZTNEEDMXOBMAF-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC000029006790 398478067 /nfs/dbraw/zinc/47/80/67/398478067.db2.gz XHEVNGNHFOZWRB-UHFFFAOYSA-N -2 0 322.317 2.664 20 0 DFADRL Cc1ccccc1-c1nc(=NCC2(C(=O)[O-])CCC2)s[n-]1 ZINC000629767615 399719821 /nfs/dbraw/zinc/71/98/21/399719821.db2.gz PMYLFQMXJALFLB-UHFFFAOYSA-N -2 0 303.387 2.602 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])c1 ZINC000349084837 285776044 /nfs/dbraw/zinc/77/60/44/285776044.db2.gz ODJKQLMWVMCPIW-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL C[C@H](Oc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000349113062 285783677 /nfs/dbraw/zinc/78/36/77/285783677.db2.gz PQWDEJCETNRETG-WYDVEAGSSA-N -2 0 319.338 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])o1 ZINC000358599517 148394212 /nfs/dbraw/zinc/39/42/12/148394212.db2.gz WAOUPPGEOPUVSH-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000350730152 286078580 /nfs/dbraw/zinc/07/85/80/286078580.db2.gz PZYGBXTZNJXZOM-SNVBAGLBSA-N -2 0 323.370 2.652 20 0 DFADRL CCc1cccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000361972710 149268478 /nfs/dbraw/zinc/26/84/78/149268478.db2.gz SSUYOMSTKBZBRE-UHFFFAOYSA-N -2 0 319.382 2.677 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)o1 ZINC000358557194 158389421 /nfs/dbraw/zinc/38/94/21/158389421.db2.gz GIBDIZJYYMPTJR-UHFFFAOYSA-N -2 0 323.370 2.796 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000055311071 425892947 /nfs/dbraw/zinc/89/29/47/425892947.db2.gz SUTNETPZUHRYQH-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1cc(C)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156466 425969111 /nfs/dbraw/zinc/96/91/11/425969111.db2.gz ADLPNSQGUUQVRF-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000336855796 427762135 /nfs/dbraw/zinc/76/21/35/427762135.db2.gz ZGZSPTGFLRXJJC-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL C[C@H](Oc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1)C(=O)[O-] ZINC000340591806 427893268 /nfs/dbraw/zinc/89/32/68/427893268.db2.gz YJMISZLDJLKWMU-QRGHLMKCSA-N -2 0 313.309 2.802 20 0 DFADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634612288 430052252 /nfs/dbraw/zinc/05/22/52/430052252.db2.gz UFBVPXJBOGKHCH-ONGXEEELSA-N -2 0 302.330 2.532 20 0 DFADRL CCCCCS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000547549280 430403542 /nfs/dbraw/zinc/40/35/42/430403542.db2.gz ZSGGSDRFWDXFQL-UHFFFAOYSA-N -2 0 322.386 2.865 20 0 DFADRL O=C([O-])[C@@H]1C[C@H](N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000649403771 431089611 /nfs/dbraw/zinc/08/96/11/431089611.db2.gz SADIEHRJCHHIBZ-BDAKNGLRSA-N -2 0 311.313 2.623 20 0 DFADRL CCCc1nc(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649404011 431091483 /nfs/dbraw/zinc/09/14/83/431091483.db2.gz YSRPANCTIFJWBM-NWDGAFQWSA-N -2 0 303.387 2.638 20 0 DFADRL O=C([O-])CC[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000662887762 431228819 /nfs/dbraw/zinc/22/88/19/431228819.db2.gz QEJSTYMDYLIGKB-VIFPVBQESA-N -2 0 312.753 2.514 20 0 DFADRL Cc1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)ccc1C(=O)[O-] ZINC000663025540 431261282 /nfs/dbraw/zinc/26/12/82/431261282.db2.gz JAKTXCLYHMHDHG-ZDUSSCGKSA-N -2 0 305.330 2.523 20 0 DFADRL Cc1sc(/C=C\c2ccc(O)c(C(=O)[O-])c2)nc1C(=O)[O-] ZINC000436828962 297037868 /nfs/dbraw/zinc/03/78/68/297037868.db2.gz KNTFHXXUQPHYCD-HYXAFXHYSA-N -2 0 305.311 2.724 20 0 DFADRL CN(CCC(=O)[O-])C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000818440015 597014051 /nfs/dbraw/zinc/01/40/51/597014051.db2.gz ZSJJTUYIPKKSMB-UHFFFAOYSA-N -2 0 315.325 2.731 20 0 DFADRL CC(C)(C(=O)[N-]OCc1occc1C(=O)[O-])c1ccccc1 ZINC000736223239 599923577 /nfs/dbraw/zinc/92/35/77/599923577.db2.gz CGFNLXWBIGJSTD-UHFFFAOYSA-N -2 0 303.314 2.503 20 0 DFADRL CC(C)c1nc(/C=C\c2ccoc2C(=O)[O-])ncc1C(=O)[O-] ZINC000736525851 600658776 /nfs/dbraw/zinc/65/87/76/600658776.db2.gz OHMSNPPMFIFGHF-ARJAWSKDSA-N -2 0 302.286 2.760 20 0 DFADRL Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1C(=O)[O-] ZINC000832942856 601176678 /nfs/dbraw/zinc/17/66/78/601176678.db2.gz SWISZLKIPLKEPA-UHFFFAOYSA-N -2 0 305.330 2.667 20 0 DFADRL O=C([O-])CCCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000821518864 601209785 /nfs/dbraw/zinc/20/97/85/601209785.db2.gz MMIFNFUUYOQSDL-UHFFFAOYSA-N -2 0 306.145 2.684 20 0 DFADRL O=C([O-])c1ccc(COC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000833315809 601446679 /nfs/dbraw/zinc/44/66/79/601446679.db2.gz GFXWSQFMKFBVTP-UHFFFAOYSA-N -2 0 308.236 2.726 20 0 DFADRL CCC(CC)(CC(=O)Nc1cccc(CC(=O)[O-])c1)C(=O)[O-] ZINC000737790029 601950756 /nfs/dbraw/zinc/95/07/56/601950756.db2.gz MAMQGVUVYBXOPU-UHFFFAOYSA-N -2 0 307.346 2.533 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000833344056 602116880 /nfs/dbraw/zinc/11/68/80/602116880.db2.gz ZYQYFYBMAJQCBU-UHFFFAOYSA-N -2 0 323.804 2.962 20 0 DFADRL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000740703282 602653389 /nfs/dbraw/zinc/65/33/89/602653389.db2.gz JYWAUQUXAYYIOU-UHFFFAOYSA-N -2 0 316.335 2.778 20 0 DFADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC000736414757 603309263 /nfs/dbraw/zinc/30/92/63/603309263.db2.gz DXZKQMLGCVDXKT-SNVBAGLBSA-N -2 0 300.742 2.666 20 0 DFADRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000832324343 603614345 /nfs/dbraw/zinc/61/43/45/603614345.db2.gz HPWQTYAPWMLOGG-RKDXNWHRSA-N -2 0 312.753 2.811 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1F ZINC000833751107 605022738 /nfs/dbraw/zinc/02/27/38/605022738.db2.gz OILALPALXBAACC-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC000736414755 605155867 /nfs/dbraw/zinc/15/58/67/605155867.db2.gz DXZKQMLGCVDXKT-JTQLQIEISA-N -2 0 300.742 2.666 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1 ZINC000338614413 284127490 /nfs/dbraw/zinc/12/74/90/284127490.db2.gz WDTSQPORZRIZCD-SNAWJCMRSA-N -2 0 319.338 2.865 20 0 DFADRL CCO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1[O-])C1CC1 ZINC000629289126 399564907 /nfs/dbraw/zinc/56/49/07/399564907.db2.gz IKVZFMTVSUXDPH-LBPRGKRZSA-N -2 0 319.810 2.602 20 0 DFADRL C[C@@H](Oc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1)C(=O)[O-] ZINC000349108149 285781958 /nfs/dbraw/zinc/78/19/58/285781958.db2.gz KUDRAPCCPNUKNE-SRMRHOMVSA-N -2 0 313.309 2.802 20 0 DFADRL C[C@@H](Oc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000349113061 285783630 /nfs/dbraw/zinc/78/36/30/285783630.db2.gz PQWDEJCETNRETG-WQAKUFEDSA-N -2 0 319.338 2.864 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000433816861 296919701 /nfs/dbraw/zinc/91/97/01/296919701.db2.gz AFLMGOQZQMXPHC-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1O ZINC000675628809 544323487 /nfs/dbraw/zinc/32/34/87/544323487.db2.gz QFJOBVLVEHDCMJ-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000336849431 268439361 /nfs/dbraw/zinc/43/93/61/268439361.db2.gz DMEUWDODDJWRSI-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1sc(/C=C/c2ccc(OCC(=O)[O-])cc2)nc1C(=O)[O-] ZINC000339120308 427684727 /nfs/dbraw/zinc/68/47/27/427684727.db2.gz NVEPJOVATHFRMT-QPJJXVBHSA-N -2 0 319.338 2.784 20 0 DFADRL O=C([O-])CCc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000353166165 428412485 /nfs/dbraw/zinc/41/24/85/428412485.db2.gz UQNDVOYZWPHMOV-UHFFFAOYSA-N -2 0 313.309 2.654 20 0 DFADRL O=C([O-])CCOc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1 ZINC000347425980 428573880 /nfs/dbraw/zinc/57/38/80/428573880.db2.gz YZKAPDTVYYFHDX-PLNGDYQASA-N -2 0 313.309 2.804 20 0 DFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000349087198 428915746 /nfs/dbraw/zinc/91/57/46/428915746.db2.gz UFRBBQLDQYFWCP-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1 ZINC000560418105 430039567 /nfs/dbraw/zinc/03/95/67/430039567.db2.gz BHGUGKIZGSFNMP-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccs1 ZINC000548596528 430486028 /nfs/dbraw/zinc/48/60/28/430486028.db2.gz ODGZCCQUFPOYMS-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)C[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC000647456955 431593182 /nfs/dbraw/zinc/59/31/82/431593182.db2.gz OTOSBNWJMAZHHB-QMMMGPOBSA-N -2 0 300.742 2.592 20 0 DFADRL CCC(CC)(CNc1ncc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC000647456912 431592163 /nfs/dbraw/zinc/59/21/63/431592163.db2.gz MOAIKFPLJWMCIK-UHFFFAOYSA-N -2 0 300.742 2.736 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000548527421 301598540 /nfs/dbraw/zinc/59/85/40/301598540.db2.gz CJWAUMOCAJMJLX-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL COc1cc(CN=c2nc(C(C)(C)C)[n-]s2)ccc1C(=O)[O-] ZINC000565042555 302187653 /nfs/dbraw/zinc/18/76/53/302187653.db2.gz XRFBMISDSRFDAA-UHFFFAOYSA-N -2 0 321.402 2.576 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000387014933 323322089 /nfs/dbraw/zinc/32/20/89/323322089.db2.gz LKWIFQMZWDEVTA-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C)o2)c(C(=O)[O-])c1 ZINC000358561706 536190215 /nfs/dbraw/zinc/19/02/15/536190215.db2.gz NLJNYOXBQMSODP-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000819370755 597268109 /nfs/dbraw/zinc/26/81/09/597268109.db2.gz PHJFLXRYGRIJSD-QMMMGPOBSA-N -2 0 315.728 2.512 20 0 DFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593388 599734589 /nfs/dbraw/zinc/73/45/89/599734589.db2.gz JMEDTTRRURZTRM-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000020593386 599734597 /nfs/dbraw/zinc/73/45/97/599734597.db2.gz HBJKOPOFSQNPNR-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL O=C([O-])CCOc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1 ZINC000739738951 599831016 /nfs/dbraw/zinc/83/10/16/599831016.db2.gz BPWFCMJTVUUXCD-RVDMUPIBSA-N -2 0 313.309 2.560 20 0 DFADRL O=C([O-])C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCCCC1 ZINC000739374667 600566097 /nfs/dbraw/zinc/56/60/97/600566097.db2.gz YTOWLLNNRSBKPO-UHFFFAOYSA-N -2 0 320.370 2.634 20 0 DFADRL Cc1[nH]c(C(=O)Nc2cccc(Cl)c2[O-])c(C)c1C(=O)[O-] ZINC000738157507 600581199 /nfs/dbraw/zinc/58/11/99/600581199.db2.gz SDPYAWYOCNKZCU-UHFFFAOYSA-N -2 0 308.721 2.941 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000832965574 601231184 /nfs/dbraw/zinc/23/11/84/601231184.db2.gz QFCUMDVPPLVDJP-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000832952899 601231202 /nfs/dbraw/zinc/23/12/02/601231202.db2.gz KSHKXLIDBHOXKE-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1C(=O)[O-] ZINC000832955879 601363268 /nfs/dbraw/zinc/36/32/68/601363268.db2.gz RCNOIHMRLZXZTK-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL O=C([O-])Cc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000324458298 601730107 /nfs/dbraw/zinc/73/01/07/601730107.db2.gz CFTKDICJJUTQAD-UHFFFAOYSA-N -2 0 322.320 2.820 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)ccc1Cl ZINC000090866944 601829714 /nfs/dbraw/zinc/82/97/14/601829714.db2.gz JDSPRXBZYPNBFE-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])c1ccc(COC(=O)c2c(F)cc([O-])cc2F)s1 ZINC000833316302 602010229 /nfs/dbraw/zinc/01/02/29/602010229.db2.gz YSXKXCKVZIMUJX-UHFFFAOYSA-N -2 0 314.265 2.787 20 0 DFADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000830260205 602117136 /nfs/dbraw/zinc/11/71/36/602117136.db2.gz XCAZUAITEIAEMJ-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000833343980 602117320 /nfs/dbraw/zinc/11/73/20/602117320.db2.gz WDJFAXUWYSPZDD-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C([O-])CC1(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1 ZINC000833201109 602299354 /nfs/dbraw/zinc/29/93/54/602299354.db2.gz IPURJVDBFOGSKE-UHFFFAOYSA-N -2 0 323.320 2.888 20 0 DFADRL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000739922827 602652277 /nfs/dbraw/zinc/65/22/77/602652277.db2.gz DSTVWRLDLACUEO-UHFFFAOYSA-N -2 0 322.342 2.586 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c(C)c1 ZINC000833751464 605022698 /nfs/dbraw/zinc/02/26/98/605022698.db2.gz ZYMGUKJOGWXFIJ-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])CN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000834064742 606051554 /nfs/dbraw/zinc/05/15/54/606051554.db2.gz FUTFGLIJMBKLOP-UHFFFAOYSA-N -2 0 320.345 2.636 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1F ZINC000313202931 231123517 /nfs/dbraw/zinc/12/35/17/231123517.db2.gz BELOEYKVNHFMTL-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000042122869 398584058 /nfs/dbraw/zinc/58/40/58/398584058.db2.gz FPJSOSKOFXAGKP-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccs1 ZINC000049487786 398795341 /nfs/dbraw/zinc/79/53/41/398795341.db2.gz FXXKBKSNKVMQBV-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL CC(C)Cc1nc(=NC(=O)c2ccc([O-])c(Cl)c2)s[n-]1 ZINC000618347019 399090113 /nfs/dbraw/zinc/09/01/13/399090113.db2.gz OQIGGTUEKTYMJK-UHFFFAOYSA-N -2 0 311.794 2.770 20 0 DFADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000043321388 183354871 /nfs/dbraw/zinc/35/48/71/183354871.db2.gz LPAQSYVYLGVOEC-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000395707279 295483728 /nfs/dbraw/zinc/48/37/28/295483728.db2.gz IBOSVBQWCCXWTQ-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(O)c1 ZINC000237612773 542904058 /nfs/dbraw/zinc/90/40/58/542904058.db2.gz FMMQVVRZTQKLMV-LLVKDONJSA-N -2 0 305.355 2.708 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000350827608 286093152 /nfs/dbraw/zinc/09/31/52/286093152.db2.gz DDQJFUDGICAVAI-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1ccc(F)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357020288 158349764 /nfs/dbraw/zinc/34/97/64/158349764.db2.gz PNBKHUCVHTVWLZ-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C(=O)[O-])o1 ZINC000358497065 158381881 /nfs/dbraw/zinc/38/18/81/158381881.db2.gz RXAAWZJUCWGHLU-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000055311127 425892823 /nfs/dbraw/zinc/89/28/23/425892823.db2.gz GNWFWVDPIALMDF-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000089568908 426296383 /nfs/dbraw/zinc/29/63/83/426296383.db2.gz NVRMINRSCMKWMD-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000186915109 426607207 /nfs/dbraw/zinc/60/72/07/426607207.db2.gz DIVDLTVKKJTIPV-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1F ZINC000180507983 426867479 /nfs/dbraw/zinc/86/74/79/426867479.db2.gz WLSHGQYOODSLIY-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000192844359 427622643 /nfs/dbraw/zinc/62/26/43/427622643.db2.gz OFZOWFMCFQKVFE-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)o1 ZINC000345089614 272405633 /nfs/dbraw/zinc/40/56/33/272405633.db2.gz HRBFZHSYDCNBGD-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL COc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000339207631 427732127 /nfs/dbraw/zinc/73/21/27/427732127.db2.gz ZDKWSXLFMYQNQR-UHFFFAOYSA-N -2 0 313.762 2.855 20 0 DFADRL O=C([O-])CC[C@@H](Cc1ccccc1)N=c1[n-]c(C2CCC2)no1 ZINC000416449875 428737775 /nfs/dbraw/zinc/73/77/75/428737775.db2.gz WNMRZHUWPJWHJX-AWEZNQCLSA-N -2 0 315.373 2.647 20 0 DFADRL O=C(C=Cc1cncc(O)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000492439258 429538351 /nfs/dbraw/zinc/53/83/51/429538351.db2.gz KMZPTFQTRCBDNV-RJRFIUFISA-N -2 0 313.338 2.869 20 0 DFADRL O=c1cc(CSc2nc(C3CC3)cc(=O)[nH]2)nc(C2CC2)[nH]1 ZINC000580998333 430168640 /nfs/dbraw/zinc/16/86/40/430168640.db2.gz IYNZEIVHQCVYIB-UHFFFAOYSA-N -2 0 316.386 2.725 20 0 DFADRL CC[C@@H](C)CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000548530823 430483149 /nfs/dbraw/zinc/48/31/49/430483149.db2.gz UREQCPRMOGHWPY-SNVBAGLBSA-N -2 0 322.386 2.721 20 0 DFADRL CC(C)Cc1nc(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s[n-]1 ZINC000649403655 431090447 /nfs/dbraw/zinc/09/04/47/431090447.db2.gz MXXDENLUJYSBNW-STQMWFEESA-N -2 0 317.414 2.884 20 0 DFADRL CC(C)C[C@H](CNc1ncc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC000647456954 431593820 /nfs/dbraw/zinc/59/38/20/431593820.db2.gz OTOSBNWJMAZHHB-MRVPVSSYSA-N -2 0 300.742 2.592 20 0 DFADRL CC(C)c1n[n-]c(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777228 431694361 /nfs/dbraw/zinc/69/43/61/431694361.db2.gz ZFQNZKQVZLZWIN-OAHLLOKOSA-N -2 0 305.403 2.538 20 0 DFADRL CN(CCCC(=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000567351828 302352836 /nfs/dbraw/zinc/35/28/36/302352836.db2.gz CVCWVSBSKZFJPE-UHFFFAOYSA-N -2 0 306.145 2.636 20 0 DFADRL C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000577160449 318174442 /nfs/dbraw/zinc/17/44/42/318174442.db2.gz JRRAVTJHWGGJSD-NXEZZACHSA-N -2 0 320.345 2.878 20 0 DFADRL CC(C)(C)CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000584472993 337345815 /nfs/dbraw/zinc/34/58/15/337345815.db2.gz MLXXRXWRFYOFCD-UHFFFAOYSA-N -2 0 322.386 2.721 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)o1 ZINC000020595326 599734561 /nfs/dbraw/zinc/73/45/61/599734561.db2.gz BLPKDDDYNZCJEL-UHFFFAOYSA-N -2 0 319.697 2.571 20 0 DFADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)c2ccccc21 ZINC000739613980 600366060 /nfs/dbraw/zinc/36/60/60/600366060.db2.gz NLKPPPBYKFEHAQ-SNVBAGLBSA-N -2 0 317.728 2.874 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000826534165 600668981 /nfs/dbraw/zinc/66/89/81/600668981.db2.gz UQLHMYHVINPEJQ-UHFFFAOYSA-N -2 0 321.373 2.878 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000832952989 601231033 /nfs/dbraw/zinc/23/10/33/601231033.db2.gz RSLFXQFRDVAZKK-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830265561 601231262 /nfs/dbraw/zinc/23/12/62/601231262.db2.gz DEKUDAVISMJHMD-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C(=O)[O-] ZINC000833030184 601235098 /nfs/dbraw/zinc/23/50/98/601235098.db2.gz TTZPUXBGESGEPF-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC000035426888 601357266 /nfs/dbraw/zinc/35/72/66/601357266.db2.gz GMRUSGPBISGTSW-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1O ZINC000832973312 601605506 /nfs/dbraw/zinc/60/55/06/601605506.db2.gz VHFMYULOCZJQNF-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL CC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000826602133 601818848 /nfs/dbraw/zinc/81/88/48/601818848.db2.gz UIQQADBUGDWMNX-UHFFFAOYSA-N -2 0 306.145 2.540 20 0 DFADRL CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])nc2)c1 ZINC000827600655 603589363 /nfs/dbraw/zinc/58/93/63/603589363.db2.gz QWSUHTXJSCELHO-UHFFFAOYSA-N -2 0 321.358 2.535 20 0 DFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000833751173 605128399 /nfs/dbraw/zinc/12/83/99/605128399.db2.gz QIIZCJSKPNPNHL-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833750979 605188816 /nfs/dbraw/zinc/18/88/16/605188816.db2.gz KNMNZGXBNFPMSB-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833454780 605259594 /nfs/dbraw/zinc/25/95/94/605259594.db2.gz PTXFCOGOICXORC-UHFFFAOYSA-N -2 0 312.297 2.745 20 0 DFADRL O=C([O-])Cc1ccccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833270661 606052297 /nfs/dbraw/zinc/05/22/97/606052297.db2.gz GXBQVDFOUFSKMC-UHFFFAOYSA-N -2 0 314.297 2.656 20 0 DFADRL O=C([O-])C1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000013469621 398388745 /nfs/dbraw/zinc/38/87/45/398388745.db2.gz UREKBRZHCZXZDJ-UHFFFAOYSA-N -2 0 322.317 2.664 20 0 DFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000096697665 398661079 /nfs/dbraw/zinc/66/10/79/398661079.db2.gz FOIWOLSQPXZBDT-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL CCc1ccc([O-])c(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000608361409 399256485 /nfs/dbraw/zinc/25/64/85/399256485.db2.gz JLBLOUBAFXSSML-UHFFFAOYSA-N -2 0 305.403 2.778 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)o1 ZINC000350514723 543206586 /nfs/dbraw/zinc/20/65/86/543206586.db2.gz MZEXKCNRCNJJJQ-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL CCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156502 425969124 /nfs/dbraw/zinc/96/91/24/425969124.db2.gz KJFPMJMCNCZHTR-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000360213001 428207824 /nfs/dbraw/zinc/20/78/24/428207824.db2.gz RJPCYBCUBQLQLZ-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(F)c1 ZINC000404964329 428575950 /nfs/dbraw/zinc/57/59/50/428575950.db2.gz BDZGDFALLTUNCU-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1C(=O)[O-] ZINC000359023997 428777203 /nfs/dbraw/zinc/77/72/03/428777203.db2.gz APSZTDLRRLIPMJ-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])CCCCCN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000416428261 428735692 /nfs/dbraw/zinc/73/56/92/428735692.db2.gz PYVDSSJUBDOJBX-UHFFFAOYSA-N -2 0 309.753 2.869 20 0 DFADRL O=C([O-])CC[C@H](Cc1ccccc1)N=c1[n-]c(C2CCC2)no1 ZINC000416449877 428737344 /nfs/dbraw/zinc/73/73/44/428737344.db2.gz WNMRZHUWPJWHJX-CQSZACIVSA-N -2 0 315.373 2.647 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)o1 ZINC000345201371 428796764 /nfs/dbraw/zinc/79/67/64/428796764.db2.gz NKFWUURZPRRZBT-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL O=C([O-])C1(CN=c2nc(-c3ccccc3)[n-]s2)CCCC1 ZINC000649401862 431090921 /nfs/dbraw/zinc/09/09/21/431090921.db2.gz NQVADEMHXKMGPI-UHFFFAOYSA-N -2 0 303.387 2.684 20 0 DFADRL CC(C)(C)n1cc(-c2ccc(C(=O)[O-])cc2F)c(C(=O)[O-])n1 ZINC000657208003 431626035 /nfs/dbraw/zinc/62/60/35/431626035.db2.gz NVPBGFOTGJJXMU-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL O=C([O-])c1nc(-c2cc(C(=O)[O-])ccc2CO)sc1C1CC1 ZINC000657207148 431626146 /nfs/dbraw/zinc/62/61/46/431626146.db2.gz ZLGFAKLLZZVANL-UHFFFAOYSA-N -2 0 319.338 2.576 20 0 DFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000538448754 301321890 /nfs/dbraw/zinc/32/18/90/301321890.db2.gz UMELIBBDMNNYED-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL CC(C)(C(=O)[N-]OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736224050 599923508 /nfs/dbraw/zinc/92/35/08/599923508.db2.gz UFOZHEVSYWHLQE-UHFFFAOYSA-N -2 0 313.353 2.910 20 0 DFADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000317021351 600103000 /nfs/dbraw/zinc/10/30/00/600103000.db2.gz OOYWCBMEASNMTO-UHFFFAOYSA-N -2 0 317.728 2.900 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1F ZINC000740006636 600155478 /nfs/dbraw/zinc/15/54/78/600155478.db2.gz RMIZFIUBSCDJKK-NXEZZACHSA-N -2 0 322.292 2.521 20 0 DFADRL CN(C(=O)c1ccc(Cl)cc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337335 600594666 /nfs/dbraw/zinc/59/46/66/600594666.db2.gz VXFITJLUTUYUHP-CQSZACIVSA-N -2 0 319.744 2.944 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000832888721 601231208 /nfs/dbraw/zinc/23/12/08/601231208.db2.gz BVXGTPHXDXCQLU-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000833029401 601232353 /nfs/dbraw/zinc/23/23/53/601232353.db2.gz IJVUYTMEDYWDJW-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL C[C@@H](CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000827437195 601387565 /nfs/dbraw/zinc/38/75/65/601387565.db2.gz UYMZYINDKKFOJZ-VIFPVBQESA-N -2 0 321.760 2.992 20 0 DFADRL O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000833198931 601563340 /nfs/dbraw/zinc/56/33/40/601563340.db2.gz MKVNYITVILPTKP-VIFPVBQESA-N -2 0 318.156 2.682 20 0 DFADRL CCCCC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)[O-] ZINC000829333957 601747345 /nfs/dbraw/zinc/74/73/45/601747345.db2.gz XIWCLQWKJRZFSR-NSHDSACASA-N -2 0 322.386 2.880 20 0 DFADRL O=C([O-])c1cccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000833328745 604314847 /nfs/dbraw/zinc/31/48/47/604314847.db2.gz KJDLMDKPUOQDBS-UHFFFAOYSA-N -2 0 323.707 2.813 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)sc1C ZINC000091010593 398500863 /nfs/dbraw/zinc/50/08/63/398500863.db2.gz NTHWZUPQUWEMDY-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000358563023 148386602 /nfs/dbraw/zinc/38/66/02/148386602.db2.gz PEINRRYDOYUFQX-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(F)c1 ZINC000184635524 158035213 /nfs/dbraw/zinc/03/52/13/158035213.db2.gz AOCSKGSDEOGXLK-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000055311060 425892891 /nfs/dbraw/zinc/89/28/91/425892891.db2.gz NDHSKZPSTKHTPT-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2ccc(C)c(C)c2[O-])[n-]1 ZINC000674671025 544249967 /nfs/dbraw/zinc/24/99/67/544249967.db2.gz LCVQLXKMBFCBNO-UHFFFAOYSA-N -2 0 322.368 2.572 20 0 DFADRL COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000319899361 268347242 /nfs/dbraw/zinc/34/72/42/268347242.db2.gz JVTAZYFGENOZJU-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL O=S(=O)([N-]c1cc(O)cc(F)c1)c1cccc2ncccc21 ZINC000161305638 426019169 /nfs/dbraw/zinc/01/91/69/426019169.db2.gz HIHKPLTZHLAKSC-UHFFFAOYSA-N -2 0 318.329 2.880 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1F ZINC000180515272 426865629 /nfs/dbraw/zinc/86/56/29/426865629.db2.gz JERPJXOOXKVHPS-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000356860199 428340728 /nfs/dbraw/zinc/34/07/28/428340728.db2.gz NSTVBOZQQPVYKX-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000342790365 428458168 /nfs/dbraw/zinc/45/81/68/428458168.db2.gz ZIJBHIFZAORELP-UHFFFAOYSA-N -2 0 324.383 2.520 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)o1 ZINC000345101241 428753423 /nfs/dbraw/zinc/75/34/23/428753423.db2.gz YGFRBYGRGKUFKM-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000345090236 428748667 /nfs/dbraw/zinc/74/86/67/428748667.db2.gz JKKWTUZYQCNKHO-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])nc3)c(=O)c2C1 ZINC000634609884 430052285 /nfs/dbraw/zinc/05/22/85/430052285.db2.gz LVVSAQVSXXPHFO-ZYHUDNBSSA-N -2 0 301.346 2.555 20 0 DFADRL O=S(=O)(CCC1CCCC1)[N-]c1cc(F)cc(F)c1[O-] ZINC000641692554 430443120 /nfs/dbraw/zinc/44/31/20/430443120.db2.gz OVUMIZXATREEGU-UHFFFAOYSA-N -2 0 305.346 2.992 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(C)o1 ZINC000548526424 430483774 /nfs/dbraw/zinc/48/37/74/430483774.db2.gz XPNRZIXKJYKCJU-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL CC(C)C[C@H](CN=c1[n-]nc(-c2ccccn2)s1)CC(=O)[O-] ZINC000652535616 431082383 /nfs/dbraw/zinc/08/23/83/431082383.db2.gz QCDZIYKCDRFXIU-NSHDSACASA-N -2 0 320.418 2.571 20 0 DFADRL O=C([O-])[C@H]1C[C@H](N=c2[n-]nc(C3CC3)s2)c2ccccc21 ZINC000649403568 431090536 /nfs/dbraw/zinc/09/05/36/431090536.db2.gz JIOGKXWJKFXQRW-RYUDHWBXSA-N -2 0 301.371 2.563 20 0 DFADRL Cc1nc(C=Cc2ccc(O)c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000436815256 297036514 /nfs/dbraw/zinc/03/65/14/297036514.db2.gz KJNXKNNZNPHSQB-HYXAFXHYSA-N -3 0 320.732 2.647 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])o1 ZINC000561586183 301940027 /nfs/dbraw/zinc/94/00/27/301940027.db2.gz MCGKTPUSSWWXKD-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL O=C([O-])[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000563131118 302039985 /nfs/dbraw/zinc/03/99/85/302039985.db2.gz URLFNGPPHTVBBF-SSDOTTSWSA-N -2 0 318.156 2.636 20 0 DFADRL CC(C)N(CC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000820006505 598076090 /nfs/dbraw/zinc/07/60/90/598076090.db2.gz IONDRFVRXQAZNT-UHFFFAOYSA-N -2 0 306.145 2.634 20 0 DFADRL CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)[O-] ZINC000736290460 600601838 /nfs/dbraw/zinc/60/18/38/600601838.db2.gz OMUFICRHCYHODL-SNVBAGLBSA-N -2 0 320.172 2.928 20 0 DFADRL O=C([O-])c1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000833317483 600670011 /nfs/dbraw/zinc/67/00/11/600670011.db2.gz RJSHNPRYKROXOI-ZJUUUORDSA-N -2 0 323.732 2.644 20 0 DFADRL O=C([O-])c1cccc(COC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000833329685 601189383 /nfs/dbraw/zinc/18/93/83/601189383.db2.gz QUYHLSGCDKCJSK-UHFFFAOYSA-N -2 0 308.236 2.726 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(C)s1 ZINC000832903480 602115667 /nfs/dbraw/zinc/11/56/67/602115667.db2.gz HVJUTDIXYUXJHN-UHFFFAOYSA-N -2 0 317.413 2.925 20 0 DFADRL O=C([O-])Nc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000832828685 604068191 /nfs/dbraw/zinc/06/81/91/604068191.db2.gz KLMLKGOGCCQBLZ-GHMZBOCLSA-N -2 0 304.346 2.744 20 0 DFADRL O=C([O-])Nc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000833282792 604473861 /nfs/dbraw/zinc/47/38/61/604473861.db2.gz JSHGEISELRQQIR-UHFFFAOYSA-N -2 0 318.260 2.866 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])s1 ZINC000833751281 605022636 /nfs/dbraw/zinc/02/26/36/605022636.db2.gz SNJBSIKRKLFSDY-UHFFFAOYSA-N -2 0 303.386 2.617 20 0 DFADRL CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000826721714 605756401 /nfs/dbraw/zinc/75/64/01/605756401.db2.gz UCUVIUSEBWNCHQ-AWEZNQCLSA-N -2 0 323.374 2.881 20 0 DFADRL CC(C)(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823849671 605796034 /nfs/dbraw/zinc/79/60/34/605796034.db2.gz GUINJSVMIICVDV-SNVBAGLBSA-N -2 0 323.374 2.737 20 0 DFADRL O=C([O-])N[C@@H](C(=O)[N-]OC1CCCC1)c1cccc(Cl)c1 ZINC000834122623 605979051 /nfs/dbraw/zinc/97/90/51/605979051.db2.gz SKJJQASHSTWOKQ-GFCCVEGCSA-N -2 0 312.753 2.639 20 0 DFADRL CCCCC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(=O)[O-] ZINC000833852325 606067340 /nfs/dbraw/zinc/06/73/40/606067340.db2.gz CJYUOOMNUFZXBF-GFCCVEGCSA-N -2 0 308.334 2.540 20 0 DFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)s1 ZINC000313240876 231123207 /nfs/dbraw/zinc/12/32/07/231123207.db2.gz VIFFXJIZBVDMEE-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC000319535399 529559144 /nfs/dbraw/zinc/55/91/44/529559144.db2.gz BROJVUFOTIWKAZ-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000042122710 398584024 /nfs/dbraw/zinc/58/40/24/398584024.db2.gz DUGDEMRNLFGOPV-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1 ZINC000140451969 398890567 /nfs/dbraw/zinc/89/05/67/398890567.db2.gz WAZNWICQSMQXIE-UHFFFAOYSA-N -2 0 316.338 2.667 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000061117843 184162418 /nfs/dbraw/zinc/16/24/18/184162418.db2.gz QEFISNZWISRKKH-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])Cc1ccc(CN=c2nc(C3CCCC3)[n-]s2)cc1 ZINC000629383215 399588889 /nfs/dbraw/zinc/58/88/89/399588889.db2.gz YCPIBWJBRBOFRL-UHFFFAOYSA-N -2 0 317.414 2.857 20 0 DFADRL Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])c1 ZINC000013313244 542421742 /nfs/dbraw/zinc/42/17/42/542421742.db2.gz IIUBBVGASFKPCG-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])cc1 ZINC000013313187 542421830 /nfs/dbraw/zinc/42/18/30/542421830.db2.gz ZNJNCDCWYADOHH-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1ccccc1-c1nc(=NC[C@@H](C(=O)[O-])C2CCC2)s[n-]1 ZINC000629767030 399719709 /nfs/dbraw/zinc/71/97/09/399719709.db2.gz FTKUMAQEKUEWLV-CYBMUJFWSA-N -2 0 317.414 2.848 20 0 DFADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccsc3)ccc21 ZINC000349080239 285774336 /nfs/dbraw/zinc/77/43/36/285774336.db2.gz GTQCPDYDTQUERU-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])sc1C ZINC000350729857 286078627 /nfs/dbraw/zinc/07/86/27/286078627.db2.gz OADRRYOUBQXWKR-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc3ccccc23)c[nH]1 ZINC000351748912 286209212 /nfs/dbraw/zinc/20/92/12/286209212.db2.gz RIIXFRGSNFDILT-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000316777773 268345213 /nfs/dbraw/zinc/34/52/13/268345213.db2.gz VFFSTVKCSMSRQL-UHFFFAOYSA-N -2 0 323.345 2.887 20 0 DFADRL CCc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156514 425968747 /nfs/dbraw/zinc/96/87/47/425968747.db2.gz AZEBWERGQMVKEM-UHFFFAOYSA-N -2 0 311.384 2.810 20 0 DFADRL O=S(=O)(Nc1cccc(O)c1F)c1ccc(F)c(F)c1F ZINC000127880645 426090676 /nfs/dbraw/zinc/09/06/76/426090676.db2.gz HYVKMFHYJMFWGC-UHFFFAOYSA-N -2 0 321.251 2.749 20 0 DFADRL Cc1cc(Cl)cc([N-]S(=O)(=O)CCOC(C)C)c1O ZINC000135655577 426226396 /nfs/dbraw/zinc/22/63/96/426226396.db2.gz BJXRLIZQXYQYRO-UHFFFAOYSA-N -2 0 307.799 2.521 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1F ZINC000180480137 426864570 /nfs/dbraw/zinc/86/45/70/426864570.db2.gz MZFYMAAADFPZGO-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL COc1cc(C(=O)[O-])ccc1-n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634612287 430051842 /nfs/dbraw/zinc/05/18/42/430051842.db2.gz UFBVPXJBOGKHCH-MWLCHTKSSA-N -2 0 302.330 2.532 20 0 DFADRL CC(C)c1n[n-]c(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403800 431089774 /nfs/dbraw/zinc/08/97/74/431089774.db2.gz SMBPACKNBYLINB-RYUDHWBXSA-N -2 0 303.387 2.809 20 0 DFADRL O=C([O-])[C@H]1C[C@H](N=c2nc(C3CC3)[n-]s2)c2ccccc21 ZINC000649403879 431090890 /nfs/dbraw/zinc/09/08/90/431090890.db2.gz VJPDMURFFGVPAF-RYUDHWBXSA-N -2 0 301.371 2.563 20 0 DFADRL CCc1ccc(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c([O-])c1 ZINC000647613037 431637313 /nfs/dbraw/zinc/63/73/13/431637313.db2.gz LKUBSUOGIGOHRT-UHFFFAOYSA-N -2 0 322.368 2.518 20 0 DFADRL CCC(=O)c1ccc([O-])c(NC(=O)c2ncc(C)cc2[O-])c1 ZINC000436837161 297039053 /nfs/dbraw/zinc/03/90/53/297039053.db2.gz NZZYDSDHLDHNOY-UHFFFAOYSA-N -2 0 300.314 2.646 20 0 DFADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000565302839 302216871 /nfs/dbraw/zinc/21/68/71/302216871.db2.gz ICJXHRMUKKMHHL-ZDUSSCGKSA-N -2 0 318.156 2.636 20 0 DFADRL C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000320370568 316253252 /nfs/dbraw/zinc/25/32/52/316253252.db2.gz OODWFIHAVFQLGJ-NXEZZACHSA-N -2 0 320.345 2.878 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000035306404 599873412 /nfs/dbraw/zinc/87/34/12/599873412.db2.gz LNUWKLASIMALAK-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1O ZINC000124553846 599948248 /nfs/dbraw/zinc/94/82/48/599948248.db2.gz IYKVXQGIENRWQV-UHFFFAOYSA-N -2 0 307.689 2.702 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])[nH]1 ZINC000163445202 600175889 /nfs/dbraw/zinc/17/58/89/600175889.db2.gz DMDHYYDVNOEUFU-UHFFFAOYSA-N -2 0 320.779 2.537 20 0 DFADRL CN(C(=O)c1ccc(Cl)cc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337142 600594755 /nfs/dbraw/zinc/59/47/55/600594755.db2.gz VXFITJLUTUYUHP-AWEZNQCLSA-N -2 0 319.744 2.944 20 0 DFADRL CCC(CC)(NC(=O)c1cc2ccccc2cc1O)C(=O)[O-] ZINC000828838680 600976794 /nfs/dbraw/zinc/97/67/94/600976794.db2.gz ZQLOTHANKSVQEG-UHFFFAOYSA-N -2 0 301.342 2.919 20 0 DFADRL O=C([O-])CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833227012 601386381 /nfs/dbraw/zinc/38/63/81/601386381.db2.gz KVPZVBMBQVBVTL-UHFFFAOYSA-N -2 0 307.733 2.793 20 0 DFADRL Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])[nH]1 ZINC000832899758 601558049 /nfs/dbraw/zinc/55/80/49/601558049.db2.gz PZECDFQLBLLMPK-UHFFFAOYSA-N -2 0 320.326 2.568 20 0 DFADRL O=C([O-])c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1F ZINC000833095898 602299072 /nfs/dbraw/zinc/29/90/72/602299072.db2.gz SZYYMYVYMSPSKQ-UHFFFAOYSA-N -2 0 323.320 2.888 20 0 DFADRL CC(C)C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000826779961 604288048 /nfs/dbraw/zinc/28/80/48/604288048.db2.gz XZWHQXRDLWZGIB-QMMMGPOBSA-N -2 0 317.744 2.661 20 0 DFADRL O=C([O-])NC1(C(=O)Nc2cccc(Cl)c2[O-])CCCCC1 ZINC000834153648 605539842 /nfs/dbraw/zinc/53/98/42/605539842.db2.gz HYBPBCADJSOOIQ-UHFFFAOYSA-N -2 0 312.753 2.955 20 0 DFADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000060367162 184147055 /nfs/dbraw/zinc/14/70/55/184147055.db2.gz YZQOLAHWPGGHPI-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL CCC(C)(C)N(C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000316224507 543073128 /nfs/dbraw/zinc/07/31/28/543073128.db2.gz ONWQUSDQZVTWAO-UHFFFAOYSA-N -2 0 308.334 2.735 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cs1 ZINC000070156463 425969497 /nfs/dbraw/zinc/96/94/97/425969497.db2.gz KOKNBYIRBBZFEH-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000111278854 426044649 /nfs/dbraw/zinc/04/46/49/426044649.db2.gz UWKYJVHKXKFSAR-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(F)cc(Cl)c1[O-] ZINC000177022658 426434958 /nfs/dbraw/zinc/43/49/58/426434958.db2.gz IEZQPUQBXHNUSI-UHFFFAOYSA-N -2 0 324.621 2.574 20 0 DFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cs1 ZINC000338876398 427533084 /nfs/dbraw/zinc/53/30/84/427533084.db2.gz ULPUHUOZPCFLMO-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000339073000 427662263 /nfs/dbraw/zinc/66/22/63/427662263.db2.gz IGDYCKYCJOGFCU-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)s1 ZINC000336836902 427755646 /nfs/dbraw/zinc/75/56/46/427755646.db2.gz XVMQNSSPYNDGIC-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000435737136 429161389 /nfs/dbraw/zinc/16/13/89/429161389.db2.gz DWPUKVYQSUOPNA-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C)c1O ZINC000643269510 430572297 /nfs/dbraw/zinc/57/22/97/430572297.db2.gz IVOQIRUUXABSRE-GFCCVEGCSA-N -2 0 301.408 2.503 20 0 DFADRL CC(C)c1n[n-]c(=N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403799 431090315 /nfs/dbraw/zinc/09/03/15/431090315.db2.gz SMBPACKNBYLINB-NWDGAFQWSA-N -2 0 303.387 2.809 20 0 DFADRL O=C([O-])[C@@H]1C[C@H](N=c2nc(C3CC3)[n-]s2)c2ccccc21 ZINC000649403877 431090680 /nfs/dbraw/zinc/09/06/80/431090680.db2.gz VJPDMURFFGVPAF-NEPJUHHUSA-N -2 0 301.371 2.563 20 0 DFADRL CC(C)(C)c1n[n-]c(=N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000649403424 431090855 /nfs/dbraw/zinc/09/08/55/431090855.db2.gz DDJFGEWSZUZHKI-NEPJUHHUSA-N -2 0 317.414 2.983 20 0 DFADRL O=C([O-])[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C1CC1 ZINC000663039719 431268301 /nfs/dbraw/zinc/26/83/01/431268301.db2.gz MHSPPCPKYVWIBJ-SECBINFHSA-N -2 0 304.129 2.748 20 0 DFADRL CC(C)(C)n1ncc(C(=O)[O-])c1-c1ccc(C(=O)[O-])cc1F ZINC000657208141 431625952 /nfs/dbraw/zinc/62/59/52/431625952.db2.gz RUBJPYSASNYHRL-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL CO[C@H](C)c1nc(=NC(=O)c2ccc(C(C)C)cc2[O-])s[n-]1 ZINC000436729569 297029327 /nfs/dbraw/zinc/02/93/27/297029327.db2.gz HETDQKRQOKPKHB-SECBINFHSA-N -2 0 321.402 2.749 20 0 DFADRL COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c(O)c1 ZINC000436863795 297040845 /nfs/dbraw/zinc/04/08/45/297040845.db2.gz WCKYTJCULXXOOF-UHFFFAOYSA-N -2 0 301.298 2.561 20 0 DFADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000437006904 297052749 /nfs/dbraw/zinc/05/27/49/297052749.db2.gz WOKNQCSHNBPVNE-UHFFFAOYSA-N -2 0 319.382 2.579 20 0 DFADRL Cc1ccccc1-c1nc(=NC(C)(C)CCC(=O)[O-])s[n-]1 ZINC000530249446 301033950 /nfs/dbraw/zinc/03/39/50/301033950.db2.gz CLPFRQHBXFRQEF-UHFFFAOYSA-N -2 0 305.403 2.991 20 0 DFADRL CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000563437128 302072470 /nfs/dbraw/zinc/07/24/70/302072470.db2.gz DTIOTKHTNSBACD-UHFFFAOYSA-N -2 0 306.293 2.841 20 0 DFADRL O=C([O-])C1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000564966176 302177615 /nfs/dbraw/zinc/17/76/15/302177615.db2.gz BRAVZHFZDLPUAQ-UHFFFAOYSA-N -2 0 318.156 2.636 20 0 DFADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593400 599734512 /nfs/dbraw/zinc/73/45/12/599734512.db2.gz GSRNYWKBEMCCGL-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593407 599734598 /nfs/dbraw/zinc/73/45/98/599734598.db2.gz VKODZQYDOMUURC-UHFFFAOYSA-N -2 0 309.343 2.902 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000035306453 599873443 /nfs/dbraw/zinc/87/34/43/599873443.db2.gz GUOODICBLRMEHR-UHFFFAOYSA-N -2 0 323.804 2.962 20 0 DFADRL Cc1nc(NC(=O)c2c([O-])cccc2Cl)sc1C(=O)[O-] ZINC000833002024 601435462 /nfs/dbraw/zinc/43/54/62/601435462.db2.gz IXDWTGICNJCMAM-UHFFFAOYSA-N -2 0 312.734 2.761 20 0 DFADRL CCN(CCC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000829701970 601437788 /nfs/dbraw/zinc/43/77/88/601437788.db2.gz XGHGERVZPNPJDK-UHFFFAOYSA-N -2 0 306.145 2.636 20 0 DFADRL Cn1cc(NC(=O)c2cc3ccccc3cc2O)cc1C(=O)[O-] ZINC000833051172 601761001 /nfs/dbraw/zinc/76/10/01/601761001.db2.gz BORAEFCWMVYPFJ-UHFFFAOYSA-N -2 0 310.309 2.834 20 0 DFADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000826807864 601934722 /nfs/dbraw/zinc/93/47/22/601934722.db2.gz PXRIIAMCWLVOKZ-SNVBAGLBSA-N -2 0 323.374 2.737 20 0 DFADRL O=C([O-])CCCCCCCNC(=O)c1c([O-])cc(F)cc1F ZINC000833225023 602050958 /nfs/dbraw/zinc/05/09/58/602050958.db2.gz BRLHRYISKDVSSN-UHFFFAOYSA-N -2 0 315.316 2.825 20 0 DFADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832887733 602115746 /nfs/dbraw/zinc/11/57/46/602115746.db2.gz BLWDKAYGKJFFSK-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])NCc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000740681047 602593560 /nfs/dbraw/zinc/59/35/60/602593560.db2.gz ZNLDAVCMZLTGBI-UHFFFAOYSA-N -2 0 322.267 2.690 20 0 DFADRL O=C([O-])Nc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC000832828754 604068439 /nfs/dbraw/zinc/06/84/39/604068439.db2.gz KLMLKGOGCCQBLZ-PHIMTYICSA-N -2 0 304.346 2.744 20 0 DFADRL O=C([O-])C1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCCC1 ZINC000833134751 604298269 /nfs/dbraw/zinc/29/82/69/604298269.db2.gz FKJBUZQAGACHRS-UHFFFAOYSA-N -2 0 315.728 2.560 20 0 DFADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000833187302 604329081 /nfs/dbraw/zinc/32/90/81/604329081.db2.gz RIXPAMYHPWWUIY-IUCAKERBSA-N -2 0 320.370 2.946 20 0 DFADRL O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833211715 604671543 /nfs/dbraw/zinc/67/15/43/604671543.db2.gz MFRLNRUKAZZBRC-SSDOTTSWSA-N -2 0 318.156 2.778 20 0 DFADRL O=C([O-])N1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000834111755 605319365 /nfs/dbraw/zinc/31/93/65/605319365.db2.gz BHQHJGUUKPLVGE-UHFFFAOYSA-N -2 0 320.732 2.940 20 0 DFADRL O=C([O-])NCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000834232373 605691802 /nfs/dbraw/zinc/69/18/02/605691802.db2.gz SXHDKWYNABAWEC-UHFFFAOYSA-N -2 0 307.133 2.685 20 0 DFADRL O=C([O-])NCc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000834247276 605830071 /nfs/dbraw/zinc/83/00/71/605830071.db2.gz PFZDAGUMDZTDDO-UHFFFAOYSA-N -2 0 304.277 2.551 20 0 DFADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000096744462 398662906 /nfs/dbraw/zinc/66/29/06/398662906.db2.gz FNASKODATFHCQB-UHFFFAOYSA-N -2 0 321.354 2.503 20 0 DFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266161412 205148593 /nfs/dbraw/zinc/14/85/93/205148593.db2.gz CYXYMXIHRNDJAD-UHFFFAOYSA-N -2 0 323.370 2.958 20 0 DFADRL CCO[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1[O-])C1CC1 ZINC000629289125 399565317 /nfs/dbraw/zinc/56/53/17/399565317.db2.gz IKVZFMTVSUXDPH-GFCCVEGCSA-N -2 0 319.810 2.602 20 0 DFADRL Cc1ccccc1-c1nc(=NC[C@@H](C(=O)[O-])C(C)C)s[n-]1 ZINC000629767811 399719548 /nfs/dbraw/zinc/71/95/48/399719548.db2.gz QSQOTJCNPLDGGK-GFCCVEGCSA-N -2 0 305.403 2.704 20 0 DFADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccsc1 ZINC000349104036 285780865 /nfs/dbraw/zinc/78/08/65/285780865.db2.gz DKKSQWXIWCDOPQ-UHFFFAOYSA-N -2 0 317.775 2.901 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000185568348 158063908 /nfs/dbraw/zinc/06/39/08/158063908.db2.gz WNZAHPLHIGAJGW-UHFFFAOYSA-N -2 0 323.345 2.562 20 0 DFADRL Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1C(=O)[O-] ZINC000071171168 425982726 /nfs/dbraw/zinc/98/27/26/425982726.db2.gz FSUMKOYPJPSEEJ-UHFFFAOYSA-N -2 0 309.318 2.633 20 0 DFADRL Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000237621843 426694896 /nfs/dbraw/zinc/69/48/96/426694896.db2.gz DMBNJQAOLOKDHK-UBHSHLNASA-N -2 0 303.358 2.559 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)o1 ZINC000342447878 272015511 /nfs/dbraw/zinc/01/55/11/272015511.db2.gz ZXJMWAWWNIZHRC-SNVBAGLBSA-N -2 0 323.370 2.967 20 0 DFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])s1 ZINC000336837747 427754845 /nfs/dbraw/zinc/75/48/45/427754845.db2.gz ZTXCERBXFKJMOV-UHFFFAOYSA-N -2 0 311.384 2.864 20 0 DFADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000360500898 428324633 /nfs/dbraw/zinc/32/46/33/428324633.db2.gz PBNVUDIFRPYBLW-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL O=C([O-])c1nc(-c2ccc(C(=O)[O-])cc2CO)sc1C1CC1 ZINC000582252248 430284094 /nfs/dbraw/zinc/28/40/94/430284094.db2.gz BCMOMDRNLJHYCV-UHFFFAOYSA-N -2 0 319.338 2.576 20 0 DFADRL O=C([O-])[C@@H]1CC[C@H](N=c2[n-]nc(-c3ccccc3Cl)s2)C1 ZINC000647459226 431593956 /nfs/dbraw/zinc/59/39/56/431593956.db2.gz WXCTVPLJHKGZEO-BDAKNGLRSA-N -2 0 323.805 2.946 20 0 DFADRL Cc1cccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1[O-] ZINC000436555296 297012168 /nfs/dbraw/zinc/01/21/68/297012168.db2.gz LPHBWSYKIZTTCI-UHFFFAOYSA-N -2 0 317.395 2.955 20 0 DFADRL CC(C)(C)CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(=O)[O-] ZINC000455798370 298419514 /nfs/dbraw/zinc/41/95/14/298419514.db2.gz RSSUDKKWMAJQFJ-NSHDSACASA-N -2 0 315.316 2.680 20 0 DFADRL CC(C)(C)CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(=O)[O-] ZINC000455798369 298419517 /nfs/dbraw/zinc/41/95/17/298419517.db2.gz RSSUDKKWMAJQFJ-LLVKDONJSA-N -2 0 315.316 2.680 20 0 DFADRL CC[C@H](C)[C@H](N=c1nc(-c2ccccc2C)[n-]s1)C(=O)[O-] ZINC000530250801 301034541 /nfs/dbraw/zinc/03/45/41/301034541.db2.gz OYKCXGLSLSNVTA-CABZTGNLSA-N -2 0 305.403 2.847 20 0 DFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000357415988 301654380 /nfs/dbraw/zinc/65/43/80/301654380.db2.gz VVYCKQWHGWEJCU-UHFFFAOYSA-N -2 0 321.354 2.508 20 0 DFADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1F ZINC000313241200 316238518 /nfs/dbraw/zinc/23/85/18/316238518.db2.gz VLWXWCNQZFNPQE-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL CN(CC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000579736525 318351712 /nfs/dbraw/zinc/35/17/12/318351712.db2.gz BIRLVWSZXJHKOB-UHFFFAOYSA-N -2 0 308.334 2.593 20 0 DFADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000387144503 323322823 /nfs/dbraw/zinc/32/28/23/323322823.db2.gz WIVGJWRGFYXIIC-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000387505003 323325320 /nfs/dbraw/zinc/32/53/20/323325320.db2.gz BDEGXSMTGYAASH-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000387647375 323327227 /nfs/dbraw/zinc/32/72/27/323327227.db2.gz UUGAEBWYIYWFOG-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000020593468 599734469 /nfs/dbraw/zinc/73/44/69/599734469.db2.gz MZNZMOFFOTWSPZ-UHFFFAOYSA-N -2 0 315.734 2.740 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)o1 ZINC000314387177 599735087 /nfs/dbraw/zinc/73/50/87/599735087.db2.gz ROPDSHCJDJPSTD-UHFFFAOYSA-N -2 0 321.354 2.657 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000832898163 601234016 /nfs/dbraw/zinc/23/40/16/601234016.db2.gz DFGMTKOESPUHJF-UHFFFAOYSA-N -2 0 313.306 2.535 20 0 DFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)ccc1C(=O)[O-] ZINC000832903826 601362858 /nfs/dbraw/zinc/36/28/58/601362858.db2.gz YRIJMYNVSQRQBN-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL Cn1cc(NC(=O)c2cc3c(cc2O)CCCC3)cc1C(=O)[O-] ZINC000833052151 601761163 /nfs/dbraw/zinc/76/11/63/601761163.db2.gz ONYVCOKXKVIDJB-UHFFFAOYSA-N -2 0 314.341 2.560 20 0 DFADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000828016625 602053349 /nfs/dbraw/zinc/05/33/49/602053349.db2.gz IZKXNPCHCZJDNJ-ZDUSSCGKSA-N -2 0 318.156 2.636 20 0 DFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832934903 602115916 /nfs/dbraw/zinc/11/59/16/602115916.db2.gz SPCQTMJEMCUPQG-UHFFFAOYSA-N -2 0 315.347 2.695 20 0 DFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000833343964 602117142 /nfs/dbraw/zinc/11/71/42/602117142.db2.gz VCRSSOPVHWSZLQ-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])Nc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000740716689 602178483 /nfs/dbraw/zinc/17/84/83/602178483.db2.gz ZRRXYLASMWCFMQ-UHFFFAOYSA-N -2 0 323.308 2.870 20 0 DFADRL O=C([O-])Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000740708212 602647738 /nfs/dbraw/zinc/64/77/38/602647738.db2.gz PVLMXQUOLTUWMH-UHFFFAOYSA-N -2 0 306.318 2.750 20 0 DFADRL CC(C)C[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000826779959 604288014 /nfs/dbraw/zinc/28/80/14/604288014.db2.gz XZWHQXRDLWZGIB-MRVPVSSYSA-N -2 0 317.744 2.661 20 0 DFADRL O=C([O-])CC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000833214559 604949721 /nfs/dbraw/zinc/94/97/21/604949721.db2.gz OIKVGWSJSWRHIR-UHFFFAOYSA-N -2 0 315.728 2.512 20 0 DFADRL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000833466887 605226175 /nfs/dbraw/zinc/22/61/75/605226175.db2.gz BJOFIOUROKAJBN-VIFPVBQESA-N -2 0 321.160 2.930 20 0 DFADRL Cc1nn(C)cc1-c1ccc(C(CC(=O)[O-])CC(=O)[O-])cc1C ZINC000584732978 398404492 /nfs/dbraw/zinc/40/44/92/398404492.db2.gz VFYWUZYYUVQTBX-UHFFFAOYSA-N -2 0 316.357 2.737 20 0 DFADRL CC(C)(C)CC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)C(=O)[O-] ZINC000416435804 295948653 /nfs/dbraw/zinc/94/86/53/295948653.db2.gz AKPLSIKTDVGFLB-ZCFIWIBFSA-N -2 0 311.329 2.670 20 0 DFADRL CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(C)cc1O ZINC000421137064 296237585 /nfs/dbraw/zinc/23/75/85/296237585.db2.gz FHOBNDPHBVAKOX-LBPRGKRZSA-N -2 0 301.408 2.503 20 0 DFADRL O=C([O-])c1ccc(-c2cccc3c2C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c(CO)c1 ZINC000630050755 399802221 /nfs/dbraw/zinc/80/22/21/399802221.db2.gz VDUBHMSQUVSFNR-GVDBMIGSSA-N -2 0 324.332 2.514 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(F)c1 ZINC000507584103 543421402 /nfs/dbraw/zinc/42/14/02/543421402.db2.gz NYMZIIVPKMAUCV-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000358568322 148387642 /nfs/dbraw/zinc/38/76/42/148387642.db2.gz YWFSNLIMGQOOQM-UHFFFAOYSA-N -2 0 323.370 2.751 20 0 DFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193478595 268070093 /nfs/dbraw/zinc/07/00/93/268070093.db2.gz HESUFBXWIZGRCI-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000316807653 268345140 /nfs/dbraw/zinc/34/51/40/268345140.db2.gz ZIMQUHYLLZTKDE-UHFFFAOYSA-N -2 0 323.345 2.942 20 0 DFADRL Cc1sc(/C=C\c2ccc(OCC(=O)[O-])cc2)nc1C(=O)[O-] ZINC000339120307 427685156 /nfs/dbraw/zinc/68/51/56/427685156.db2.gz NVEPJOVATHFRMT-DAXSKMNVSA-N -2 0 319.338 2.784 20 0 DFADRL C[C@@H](Oc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1)C(=O)[O-] ZINC000340591803 427893096 /nfs/dbraw/zinc/89/30/96/427893096.db2.gz YJMISZLDJLKWMU-ISALQUGTSA-N -2 0 313.309 2.802 20 0 DFADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC000358864716 428711296 /nfs/dbraw/zinc/71/12/96/428711296.db2.gz LDLOSRPTWMQHJR-JTQLQIEISA-N -2 0 309.343 2.659 20 0 DFADRL CCCc1ccc([N-]S(=O)(=O)c2ccoc2)c(C(=O)[O-])c1 ZINC000349082644 428917159 /nfs/dbraw/zinc/91/71/59/428917159.db2.gz KIPUCFCNDMYFPO-UHFFFAOYSA-N -2 0 309.343 2.731 20 0 DFADRL CC(C)[C@H]1CCc2[n-]n(-c3ccc(C(=O)[O-])cn3)c(=O)c2C1 ZINC000634610343 430052467 /nfs/dbraw/zinc/05/24/67/430052467.db2.gz VOMCRWJXAATIQH-JQWIXIFHSA-N -2 0 301.346 2.555 20 0 DFADRL Cc1ccc(O)c(NC(=O)c2cccc(Br)c2[O-])n1 ZINC000542461557 430211297 /nfs/dbraw/zinc/21/12/97/430211297.db2.gz HZOPLIHVQPVBSA-UHFFFAOYSA-N -2 0 323.146 2.816 20 0 DFADRL O=C([O-])C1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1 ZINC000659785789 431111362 /nfs/dbraw/zinc/11/13/62/431111362.db2.gz VMYKUBTYNKYYEM-UHFFFAOYSA-N -2 0 318.156 2.684 20 0 DFADRL CC(=O)c1[n-]c(=N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1C ZINC000649403884 431090893 /nfs/dbraw/zinc/09/08/93/431090893.db2.gz VKWZBLMKVGRBJJ-STQMWFEESA-N -2 0 316.382 2.801 20 0 DFADRL CC(C)c1n[n-]c(=NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650777227 431693436 /nfs/dbraw/zinc/69/34/36/431693436.db2.gz ZFQNZKQVZLZWIN-HNNXBMFYSA-N -2 0 305.403 2.538 20 0 DFADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc(F)ccc1[O-] ZINC000436545997 297011168 /nfs/dbraw/zinc/01/11/68/297011168.db2.gz IZABZAKXZNVHOM-UHFFFAOYSA-N -2 0 315.329 2.724 20 0 DFADRL Cc1nc(=NC(=O)c2c([O-])cc(Cl)cc2Cl)s[n-]1 ZINC000436575740 297014141 /nfs/dbraw/zinc/01/41/41/297014141.db2.gz OYKQMUKPMFZFOR-UHFFFAOYSA-N -2 0 304.158 2.533 20 0 DFADRL CCC(=O)c1ccc([O-])c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436646681 297021146 /nfs/dbraw/zinc/02/11/46/297021146.db2.gz ARMMEKYEQMLYDV-UHFFFAOYSA-N -2 0 313.309 2.512 20 0 DFADRL O=C([O-])[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000563131119 302039907 /nfs/dbraw/zinc/03/99/07/302039907.db2.gz URLFNGPPHTVBBF-ZETCQYMHSA-N -2 0 318.156 2.636 20 0 DFADRL CC(C)Cc1nc(=NC[C@@H](Cc2ccccc2)C(=O)[O-])s[n-]1 ZINC000567984834 302405999 /nfs/dbraw/zinc/40/59/99/302405999.db2.gz BROODJMIXYPYBC-CYBMUJFWSA-N -2 0 319.430 2.514 20 0 DFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000035306428 599873498 /nfs/dbraw/zinc/87/34/98/599873498.db2.gz WCKSNJPSITVQOY-UHFFFAOYSA-N -2 0 319.310 2.525 20 0 DFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)s1 ZINC000081201910 599926839 /nfs/dbraw/zinc/92/68/39/599926839.db2.gz PMISRDKYRGJVBG-UHFFFAOYSA-N -2 0 322.367 2.728 20 0 DFADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000830253539 601231199 /nfs/dbraw/zinc/23/11/99/601231199.db2.gz DXTDVJUBXXKKLM-UHFFFAOYSA-N -2 0 309.343 2.649 20 0 DFADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000832926606 601231240 /nfs/dbraw/zinc/23/12/40/601231240.db2.gz VSZMUEYRCWLEKX-UHFFFAOYSA-N -2 0 309.343 2.704 20 0 DFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000832919358 601362809 /nfs/dbraw/zinc/36/28/09/601362809.db2.gz FRNPTDFXSXTDFV-UHFFFAOYSA-N -2 0 324.358 2.605 20 0 DFADRL O=C([O-])Cc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000087844412 602143297 /nfs/dbraw/zinc/14/32/97/602143297.db2.gz WEJPUOMRYQRZTA-UHFFFAOYSA-N -2 0 305.717 2.925 20 0 DFADRL COc1cccc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1 ZINC000739955515 602653142 /nfs/dbraw/zinc/65/31/42/602653142.db2.gz LDPIIOMRUNSTGU-UHFFFAOYSA-N -2 0 322.342 2.586 20 0 DFADRL O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000832324337 603614546 /nfs/dbraw/zinc/61/45/46/603614546.db2.gz HPWQTYAPWMLOGG-BDAKNGLRSA-N -2 0 312.753 2.811 20 0 DFADRL O=C([O-])N[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000834256725 605540838 /nfs/dbraw/zinc/54/08/38/605540838.db2.gz TWVSLUVSJURXFG-LBPRGKRZSA-N -2 0 320.732 2.993 20 0 DFADRL O=C([O-])N[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000834251777 605541007 /nfs/dbraw/zinc/54/10/07/605541007.db2.gz TWVSLUVSJURXFG-GFCCVEGCSA-N -2 0 320.732 2.993 20 0 DFADRL CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000826721717 605756334 /nfs/dbraw/zinc/75/63/34/605756334.db2.gz UCUVIUSEBWNCHQ-CQSZACIVSA-N -2 0 323.374 2.881 20 0 DFADRL