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COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1 ZINC000274918489 485277668 /nfs/dbraw/zinc/27/76/68/485277668.db2.gz MJYAHKLWIUNOAT-MRVPVSSYSA-N -2 3 364.763 -0.267 20 0 FBADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000274918491 485277523 /nfs/dbraw/zinc/27/75/23/485277523.db2.gz MJYAHKLWIUNOAT-QMMMGPOBSA-N -2 3 364.763 -0.267 20 0 FBADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000274919536 483662494 /nfs/dbraw/zinc/66/24/94/483662494.db2.gz MQRAAICTJRALPR-KBUNVGBDSA-N -2 3 366.779 -0.684 20 0 FBADHL CC[C@@](C)(CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-] ZINC000274920280 483662469 /nfs/dbraw/zinc/66/24/69/483662469.db2.gz BCPGCBPCDIGFIO-AWEZNQCLSA-N -2 3 370.387 -0.187 20 0 FBADHL CC[C@](C)(CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-] ZINC000274920282 483662552 /nfs/dbraw/zinc/66/25/52/483662552.db2.gz BCPGCBPCDIGFIO-CQSZACIVSA-N -2 3 370.387 -0.187 20 0 FBADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1F ZINC000274923839 483662592 /nfs/dbraw/zinc/66/25/92/483662592.db2.gz NJCUSHKQCNSHPZ-VIFPVBQESA-N -2 3 355.365 -0.657 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274923844 483662399 /nfs/dbraw/zinc/66/23/99/483662399.db2.gz NJDGTTFNPBLBSW-RXMQYKEDSA-N -3 3 367.357 -0.251 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274923848 483662448 /nfs/dbraw/zinc/66/24/48/483662448.db2.gz NJDGTTFNPBLBSW-YFKPBYRVSA-N -3 3 367.357 -0.251 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])s1 ZINC000274923946 483662521 /nfs/dbraw/zinc/66/25/21/483662521.db2.gz NKTGSJKXJNXQFP-SSDOTTSWSA-N -2 3 350.374 -0.930 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])s1 ZINC000274923948 483662374 /nfs/dbraw/zinc/66/23/74/483662374.db2.gz NKTGSJKXJNXQFP-ZETCQYMHSA-N -2 3 350.374 -0.930 20 0 FBADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-] ZINC000274924017 483662436 /nfs/dbraw/zinc/66/24/36/483662436.db2.gz NNIFODFBEWVSLF-MRVPVSSYSA-N -2 3 364.763 -0.267 20 0 FBADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-] ZINC000274924019 483662578 /nfs/dbraw/zinc/66/25/78/483662578.db2.gz NNIFODFBEWVSLF-QMMMGPOBSA-N -2 3 364.763 -0.267 20 0 FBADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274924291 483662506 /nfs/dbraw/zinc/66/25/06/483662506.db2.gz BULWXSDMLCKLNS-LURJTMIESA-N -3 3 351.358 -0.012 20 0 FBADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274924292 483662420 /nfs/dbraw/zinc/66/24/20/483662420.db2.gz BULWXSDMLCKLNS-ZCFIWIBFSA-N -3 3 351.358 -0.012 20 0 FBADHL CC(C)Cn1cnc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000274925468 483662573 /nfs/dbraw/zinc/66/25/73/483662573.db2.gz BXFYCUQAJKNOHE-LLVKDONJSA-N -2 3 358.420 -0.250 20 0 FBADHL CC(C)Cn1cnc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000274925470 483662383 /nfs/dbraw/zinc/66/23/83/483662383.db2.gz BXFYCUQAJKNOHE-NSHDSACASA-N -2 3 358.420 -0.250 20 0 FBADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274926031 483662562 /nfs/dbraw/zinc/66/25/62/483662562.db2.gz NVYRNYYADHAUAV-SECBINFHSA-N -2 3 357.348 -0.716 20 0 FBADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274926031 483662560 /nfs/dbraw/zinc/66/25/60/483662560.db2.gz NVYRNYYADHAUAV-SECBINFHSA-N -2 3 357.348 -0.716 20 0 FBADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274926034 483662672 /nfs/dbraw/zinc/66/26/72/483662672.db2.gz NVYRNYYADHAUAV-VIFPVBQESA-N -2 3 357.348 -0.716 20 0 FBADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000274926034 483662669 /nfs/dbraw/zinc/66/26/69/483662669.db2.gz NVYRNYYADHAUAV-VIFPVBQESA-N -2 3 357.348 -0.716 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc(F)c1F ZINC000274928120 483663315 /nfs/dbraw/zinc/66/33/15/483663315.db2.gz OHNNQMUFPAJROR-VIFPVBQESA-N -2 3 353.299 -0.135 20 0 FBADHL CCS(=O)(=O)NCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-] ZINC000274929314 483662900 /nfs/dbraw/zinc/66/29/00/483662900.db2.gz OPJHNXHICSZBIF-UHFFFAOYSA-N -3 3 352.390 -0.229 20 0 FBADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000274932791 483663084 /nfs/dbraw/zinc/66/30/84/483663084.db2.gz PKEZOTZBFSWHRS-LDWIPMOCSA-N -2 3 355.365 -0.659 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc(F)c1F ZINC000274935998 483663201 /nfs/dbraw/zinc/66/32/01/483663201.db2.gz PYJXRFQOIOQJQB-MRVPVSSYSA-N -3 3 367.282 -0.042 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc(F)c1F ZINC000274936001 483662896 /nfs/dbraw/zinc/66/28/96/483662896.db2.gz PYJXRFQOIOQJQB-QMMMGPOBSA-N -3 3 367.282 -0.042 20 0 FBADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(Cl)s1 ZINC000274940340 483662926 /nfs/dbraw/zinc/66/29/26/483662926.db2.gz QUGSFVQAVFINBC-BYPYZUCNSA-N -2 3 363.822 -0.471 20 0 FBADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(Cl)s1 ZINC000274940346 483663141 /nfs/dbraw/zinc/66/31/41/483663141.db2.gz QUGSFVQAVFINBC-SCSAIBSYSA-N -2 3 363.822 -0.471 20 0 FBADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274941684 483663035 /nfs/dbraw/zinc/66/30/35/483663035.db2.gz RCKWGXYEDVXZRW-SECBINFHSA-N -3 3 364.401 -0.367 20 0 FBADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274941688 483663030 /nfs/dbraw/zinc/66/30/30/483663030.db2.gz RCKWGXYEDVXZRW-VIFPVBQESA-N -3 3 364.401 -0.367 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274945589 483663248 /nfs/dbraw/zinc/66/32/48/483663248.db2.gz RUBZNTDGBLUUCD-SSDOTTSWSA-N -3 3 351.358 -0.330 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274945591 483663257 /nfs/dbraw/zinc/66/32/57/483663257.db2.gz RUBZNTDGBLUUCD-ZETCQYMHSA-N -3 3 351.358 -0.330 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cc(F)c1F ZINC000274947950 483662983 /nfs/dbraw/zinc/66/29/83/483662983.db2.gz SAILDGAWNSZGHF-FWOIEVBISA-N -2 3 353.299 -0.136 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)cc(F)c1F ZINC000274947954 483663353 /nfs/dbraw/zinc/66/33/53/483663353.db2.gz SAILDGAWNSZGHF-RRAGMBSWSA-N -2 3 353.299 -0.136 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)cc(F)c1F ZINC000274947956 483663013 /nfs/dbraw/zinc/66/30/13/483663013.db2.gz SAILDGAWNSZGHF-XUOSJQGZSA-N -2 3 353.299 -0.136 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)cnc21 ZINC000274957566 483663863 /nfs/dbraw/zinc/66/38/63/483663863.db2.gz ULBIWDMTKRLARF-SECBINFHSA-N -2 3 370.387 -0.188 20 0 FBADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1F ZINC000274957845 483663517 /nfs/dbraw/zinc/66/35/17/483663517.db2.gz UOAJVIKEZIYKPQ-JTQLQIEISA-N -2 3 370.380 -0.689 20 0 FBADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1F ZINC000274957849 483663857 /nfs/dbraw/zinc/66/38/57/483663857.db2.gz UOAJVIKEZIYKPQ-SNVBAGLBSA-N -2 3 370.380 -0.689 20 0 FBADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc1F ZINC000274957903 243964289 /nfs/dbraw/zinc/96/42/89/243964289.db2.gz UPIDBMIMXCOCEX-MRVPVSSYSA-N -3 3 369.348 -0.565 20 0 FBADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc1F ZINC000274957908 483663905 /nfs/dbraw/zinc/66/39/05/483663905.db2.gz UPIDBMIMXCOCEX-QMMMGPOBSA-N -3 3 369.348 -0.565 20 0 FBADHL CCS(=O)(=O)NCCS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000274960458 243964477 /nfs/dbraw/zinc/96/44/77/243964477.db2.gz JCPOOZCSECITSS-UHFFFAOYSA-N -2 3 357.435 -0.800 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)oc1C ZINC000274960485 483663742 /nfs/dbraw/zinc/66/37/42/483663742.db2.gz JDYMEZWHIZGVGH-SECBINFHSA-N -2 3 374.371 -0.414 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)oc1C ZINC000274960486 483663680 /nfs/dbraw/zinc/66/36/80/483663680.db2.gz JDYMEZWHIZGVGH-VIFPVBQESA-N -2 3 374.371 -0.414 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])s1 ZINC000274960737 483663611 /nfs/dbraw/zinc/66/36/11/483663611.db2.gz UYNWUDKTGNJAHO-LURJTMIESA-N -2 3 353.374 -0.343 20 0 FBADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000274965123 483663708 /nfs/dbraw/zinc/66/37/08/483663708.db2.gz JTABBOLIHNMTRB-GFCCVEGCSA-N -2 3 360.436 -0.397 20 0 FBADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)C(=O)[O-])c1 ZINC000274965126 483663621 /nfs/dbraw/zinc/66/36/21/483663621.db2.gz JTABBOLIHNMTRB-LBPRGKRZSA-N -2 3 360.436 -0.397 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cc(F)c1F ZINC000274970730 483663944 /nfs/dbraw/zinc/66/39/44/483663944.db2.gz WHXLRDNERKIBBN-SECBINFHSA-N -2 3 353.299 -0.135 20 0 FBADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@H](C(=O)[O-])CC1=O ZINC000274973462 483663887 /nfs/dbraw/zinc/66/38/87/483663887.db2.gz KTNVNFRTEJUJBG-MRVPVSSYSA-N -2 3 364.811 -0.407 20 0 FBADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@@H](C(=O)[O-])CC1=O ZINC000274973464 483663673 /nfs/dbraw/zinc/66/36/73/483663673.db2.gz KTNVNFRTEJUJBG-QMMMGPOBSA-N -2 3 364.811 -0.407 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(C(=O)OC)s1 ZINC000274974333 483664586 /nfs/dbraw/zinc/66/45/86/483664586.db2.gz WQYDOLWYOFMXBY-RXMQYKEDSA-N -2 3 367.357 -0.955 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(C(=O)OC)s1 ZINC000274974334 483664519 /nfs/dbraw/zinc/66/45/19/483664519.db2.gz WQYDOLWYOFMXBY-YFKPBYRVSA-N -2 3 367.357 -0.955 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000274974406 483664428 /nfs/dbraw/zinc/66/44/28/483664428.db2.gz WRRQHSQNXVQPNF-XRGYYRRGSA-N -2 3 353.374 -0.344 20 0 FBADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1 ZINC000274977759 485277157 /nfs/dbraw/zinc/27/71/57/485277157.db2.gz XJOPDDBFQRFYEB-VIFPVBQESA-N -2 3 371.820 -0.143 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3C=C[C@@H](C(=O)[O-])C3)cnc21 ZINC000274978800 483664446 /nfs/dbraw/zinc/66/44/46/483664446.db2.gz JJKUYKVSEXRWMD-HTQZYQBOSA-N -2 3 366.355 -0.658 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3C=C[C@H](C(=O)[O-])C3)cnc21 ZINC000274978803 243965751 /nfs/dbraw/zinc/96/57/51/243965751.db2.gz JJKUYKVSEXRWMD-JGVFFNPUSA-N -2 3 366.355 -0.658 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3C=C[C@@H](C(=O)[O-])C3)cnc21 ZINC000274978805 483664572 /nfs/dbraw/zinc/66/45/72/483664572.db2.gz JJKUYKVSEXRWMD-SFYZADRCSA-N -2 3 366.355 -0.658 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3C=C[C@H](C(=O)[O-])C3)cnc21 ZINC000274978807 243964239 /nfs/dbraw/zinc/96/42/39/243964239.db2.gz JJKUYKVSEXRWMD-YUMQZZPRSA-N -2 3 366.355 -0.658 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274984285 483664229 /nfs/dbraw/zinc/66/42/29/483664229.db2.gz MADTXYFVWDZDHR-SSDOTTSWSA-N -3 3 365.385 -0.083 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])s1 ZINC000274984286 483664208 /nfs/dbraw/zinc/66/42/08/483664208.db2.gz MADTXYFVWDZDHR-ZETCQYMHSA-N -3 3 365.385 -0.083 20 0 FBADHL 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ZINC000547572315 484768645 /nfs/dbraw/zinc/76/86/45/484768645.db2.gz RFCRPJAFQHSKHR-SSDOTTSWSA-N -2 3 353.374 -0.079 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])s1 ZINC000547572316 484768614 /nfs/dbraw/zinc/76/86/14/484768614.db2.gz RFCRPJAFQHSKHR-ZETCQYMHSA-N -2 3 353.374 -0.079 20 0 FBADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547572903 484769148 /nfs/dbraw/zinc/76/91/48/484769148.db2.gz HKCUBOTZZGFLJQ-SECBINFHSA-N -2 3 355.365 -0.393 20 0 FBADHL COC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547572904 484769022 /nfs/dbraw/zinc/76/90/22/484769022.db2.gz HKCUBOTZZGFLJQ-VIFPVBQESA-N -2 3 355.365 -0.393 20 0 FBADHL COC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000547573924 484768582 /nfs/dbraw/zinc/76/85/82/484768582.db2.gz KEOZFHKEIZWDOX-JTQLQIEISA-N -2 3 350.418 -0.195 20 0 FBADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000547573925 484768629 /nfs/dbraw/zinc/76/86/29/484768629.db2.gz KEOZFHKEIZWDOX-SNVBAGLBSA-N -2 3 350.418 -0.195 20 0 FBADHL COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000547574310 484768689 /nfs/dbraw/zinc/76/86/89/484768689.db2.gz MBYLHOMFSKRFBW-SECBINFHSA-N -2 3 362.316 -0.241 20 0 FBADHL COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000547574311 484768815 /nfs/dbraw/zinc/76/88/15/484768815.db2.gz MBYLHOMFSKRFBW-VIFPVBQESA-N -2 3 362.316 -0.241 20 0 FBADHL COC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547577909 484768446 /nfs/dbraw/zinc/76/84/46/484768446.db2.gz TYEHAMFHGKBQGJ-LURJTMIESA-N -2 3 353.374 -0.079 20 0 FBADHL COC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547577910 484768736 /nfs/dbraw/zinc/76/87/36/484768736.db2.gz TYEHAMFHGKBQGJ-ZCFIWIBFSA-N -2 3 353.374 -0.079 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000547596385 484769996 /nfs/dbraw/zinc/76/99/96/484769996.db2.gz SPSJESAJQCMWFJ-QMMMGPOBSA-N -3 3 365.385 -0.314 20 0 FBADHL CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000547603800 484771107 /nfs/dbraw/zinc/77/11/07/484771107.db2.gz YFLKUDQTDVYLPY-UHFFFAOYSA-N -2 3 370.387 -0.235 20 0 FBADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(F)c1 ZINC000547608182 484771281 /nfs/dbraw/zinc/77/12/81/484771281.db2.gz SIPVNLIPTKYKPF-UHFFFAOYSA-N -3 3 370.380 -0.423 20 0 FBADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000547609485 484770695 /nfs/dbraw/zinc/77/06/95/484770695.db2.gz KJHVAVWRKXUUOA-UHFFFAOYSA-N -2 3 366.779 -0.416 20 0 FBADHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc3c2OCCO3)nn1 ZINC000547611689 484771989 /nfs/dbraw/zinc/77/19/89/484771989.db2.gz GQUMDAQWNOSWKC-UHFFFAOYSA-N -2 3 354.344 -0.388 20 0 FBADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])s1 ZINC000547612344 484772076 /nfs/dbraw/zinc/77/20/76/484772076.db2.gz LHYSUUXHTOUSJC-UHFFFAOYSA-N -2 3 350.418 -0.194 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C3CCC3)cnc21 ZINC000547614437 484772249 /nfs/dbraw/zinc/77/22/49/484772249.db2.gz MBDIMXDIKGKCKG-JTQLQIEISA-N -2 3 368.371 -0.434 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCC3)cnc21 ZINC000547614454 484772582 /nfs/dbraw/zinc/77/25/82/484772582.db2.gz MBDIMXDIKGKCKG-SNVBAGLBSA-N -2 3 368.371 -0.434 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)oc1C ZINC000547615211 484771901 /nfs/dbraw/zinc/77/19/01/484771901.db2.gz KMGXWCNNIHPOKR-UHFFFAOYSA-N -2 3 358.332 -0.471 20 0 FBADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547615560 484771665 /nfs/dbraw/zinc/77/16/65/484771665.db2.gz MSMWZGBZHCSNBS-UHFFFAOYSA-N -2 3 372.334 -0.233 20 0 FBADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547616069 484772222 /nfs/dbraw/zinc/77/22/22/484772222.db2.gz XJNSFRJJQSIHKK-UHFFFAOYSA-N -2 3 372.334 -0.233 20 0 FBADHL CC(C)[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-] ZINC000547617330 484772414 /nfs/dbraw/zinc/77/24/14/484772414.db2.gz MKSOBXWWQZRXGE-JTQLQIEISA-N -2 3 370.387 -0.331 20 0 FBADHL CC(C)[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-] ZINC000547617331 484772175 /nfs/dbraw/zinc/77/21/75/484772175.db2.gz MKSOBXWWQZRXGE-SNVBAGLBSA-N -2 3 370.387 -0.331 20 0 FBADHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cnn(CC(F)F)c2)nn1 ZINC000547639043 484772484 /nfs/dbraw/zinc/77/24/84/484772484.db2.gz GGIATPAIPRDXES-UHFFFAOYSA-N -2 3 350.307 -0.697 20 0 FBADHL C[C@](CO)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000547700312 484775200 /nfs/dbraw/zinc/77/52/00/484775200.db2.gz JJASAEQNMXCAHJ-CYBMUJFWSA-N -2 3 365.429 -0.158 20 0 FBADHL C[C@@](CO)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC(=O)[O-] ZINC000547700313 484774815 /nfs/dbraw/zinc/77/48/15/484774815.db2.gz JJASAEQNMXCAHJ-ZDUSSCGKSA-N -2 3 365.429 -0.158 20 0 FBADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000547866456 484780753 /nfs/dbraw/zinc/78/07/53/484780753.db2.gz RTPSXDFQWDVRER-ZCFIWIBFSA-N -2 3 350.736 -0.112 20 0 FBADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)c1 ZINC000547868946 484780960 /nfs/dbraw/zinc/78/09/60/484780960.db2.gz BCCFIFBFMFWIKQ-VIFPVBQESA-N -3 3 370.380 -0.689 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547869807 484780400 /nfs/dbraw/zinc/78/04/00/484780400.db2.gz KLMWGCARGLMBIX-SSDOTTSWSA-N -2 3 360.373 -0.373 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547869807 484780394 /nfs/dbraw/zinc/78/03/94/484780394.db2.gz KLMWGCARGLMBIX-SSDOTTSWSA-N -2 3 360.373 -0.373 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547869808 484780993 /nfs/dbraw/zinc/78/09/93/484780993.db2.gz KLMWGCARGLMBIX-ZETCQYMHSA-N -2 3 360.373 -0.373 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547869808 484780990 /nfs/dbraw/zinc/78/09/90/484780990.db2.gz KLMWGCARGLMBIX-ZETCQYMHSA-N -2 3 360.373 -0.373 20 0 FBADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1 ZINC000547870517 484781483 /nfs/dbraw/zinc/78/14/83/484781483.db2.gz CLGCGMWOCDTLSP-UHFFFAOYSA-N -2 3 362.335 -0.519 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547872670 484780711 /nfs/dbraw/zinc/78/07/11/484780711.db2.gz ICBOJBNRQNHKDZ-HTRCEHHLSA-N -2 3 350.374 -0.302 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547872672 484781007 /nfs/dbraw/zinc/78/10/07/484781007.db2.gz ICBOJBNRQNHKDZ-POYBYMJQSA-N -2 3 350.374 -0.302 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547872673 484780832 /nfs/dbraw/zinc/78/08/32/484780832.db2.gz ICBOJBNRQNHKDZ-SVRRBLITSA-N -2 3 350.374 -0.302 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547872674 484780650 /nfs/dbraw/zinc/78/06/50/484780650.db2.gz ICBOJBNRQNHKDZ-XPUUQOCRSA-N -2 3 350.374 -0.302 20 0 FBADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547874910 484780691 /nfs/dbraw/zinc/78/06/91/484780691.db2.gz PFSBKENPKPOGAX-LURJTMIESA-N -2 3 352.166 -0.549 20 0 FBADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(F)c1 ZINC000547875529 484782307 /nfs/dbraw/zinc/78/23/07/484782307.db2.gz MVVVLSPHQMSZFE-VIFPVBQESA-N -3 3 370.380 -0.689 20 0 FBADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547876085 484782053 /nfs/dbraw/zinc/78/20/53/484782053.db2.gz JOLUTZHDBXDTCP-LDWIPMOCSA-N -3 3 370.380 -0.691 20 0 FBADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])cnc2c1Cl ZINC000547876457 484782224 /nfs/dbraw/zinc/78/22/24/484782224.db2.gz BCTVJJIGMGCWEU-SSDOTTSWSA-N -2 3 361.767 -0.702 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547877025 484782191 /nfs/dbraw/zinc/78/21/91/484782191.db2.gz JETQCPZGZMFZMN-BXKDBHETSA-N -2 3 363.413 -0.142 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547877027 484782466 /nfs/dbraw/zinc/78/24/66/484782466.db2.gz JETQCPZGZMFZMN-CABZTGNLSA-N -2 3 363.413 -0.142 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547877028 484781825 /nfs/dbraw/zinc/78/18/25/484781825.db2.gz JETQCPZGZMFZMN-JOYOIKCWSA-N -2 3 363.413 -0.142 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547877030 484782534 /nfs/dbraw/zinc/78/25/34/484782534.db2.gz JETQCPZGZMFZMN-SKDRFNHKSA-N -2 3 363.413 -0.142 20 0 FBADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-] ZINC000547879547 484782088 /nfs/dbraw/zinc/78/20/88/484782088.db2.gz SHPIQPBYSCJDPO-SECBINFHSA-N -2 3 362.335 -0.391 20 0 FBADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000547879654 484782150 /nfs/dbraw/zinc/78/21/50/484782150.db2.gz UJOWAPKLRCQDCM-JTQLQIEISA-N -2 3 362.335 -0.391 20 0 FBADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547882225 484782605 /nfs/dbraw/zinc/78/26/05/484782605.db2.gz UIRXNEWGRQRPJT-LURJTMIESA-N -2 3 366.373 -0.386 20 0 FBADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547882436 484782400 /nfs/dbraw/zinc/78/24/00/484782400.db2.gz YSYGLSOBDOBBBW-JTQLQIEISA-N -2 3 369.392 -0.003 20 0 FBADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547882447 484781892 /nfs/dbraw/zinc/78/18/92/484781892.db2.gz YSYGLSOBDOBBBW-SNVBAGLBSA-N -2 3 369.392 -0.003 20 0 FBADHL CO[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547885364 484782170 /nfs/dbraw/zinc/78/21/70/484782170.db2.gz GRXCGVZVBZXNCV-JTQLQIEISA-N -2 3 370.380 -0.425 20 0 FBADHL CO[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000547885366 484782522 /nfs/dbraw/zinc/78/25/22/484782522.db2.gz GRXCGVZVBZXNCV-SNVBAGLBSA-N -2 3 370.380 -0.425 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CC3)cnc21 ZINC000547892687 484783674 /nfs/dbraw/zinc/78/36/74/484783674.db2.gz HZNLJTKTXXSEPS-SECBINFHSA-N -2 3 354.344 -0.824 20 0 FBADHL Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H](C(=O)[O-])C3CC3)cnc21 ZINC000547892688 484783199 /nfs/dbraw/zinc/78/31/99/484783199.db2.gz HZNLJTKTXXSEPS-VIFPVBQESA-N -2 3 354.344 -0.824 20 0 FBADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547904785 484783546 /nfs/dbraw/zinc/78/35/46/484783546.db2.gz WEAKWBMVTIOTBW-GHMZBOCLSA-N -2 3 360.392 -0.486 20 0 FBADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547904787 484783403 /nfs/dbraw/zinc/78/34/03/484783403.db2.gz WEAKWBMVTIOTBW-MNOVXSKESA-N -2 3 360.392 -0.486 20 0 FBADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547904788 484783239 /nfs/dbraw/zinc/78/32/39/484783239.db2.gz WEAKWBMVTIOTBW-QWRGUYRKSA-N -2 3 360.392 -0.486 20 0 FBADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547904790 484783068 /nfs/dbraw/zinc/78/30/68/484783068.db2.gz WEAKWBMVTIOTBW-WDEREUQCSA-N -2 3 360.392 -0.486 20 0 FBADHL C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C(=O)[O-] ZINC000547919458 484784218 /nfs/dbraw/zinc/78/42/18/484784218.db2.gz JUUYWDXDQZJSEK-GMSGAONNSA-N -2 3 368.371 -0.482 20 0 FBADHL C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C(=O)[O-] ZINC000547919460 484784205 /nfs/dbraw/zinc/78/42/05/484784205.db2.gz JUUYWDXDQZJSEK-OIBJUYFYSA-N -2 3 368.371 -0.482 20 0 FBADHL C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000547919463 484784596 /nfs/dbraw/zinc/78/45/96/484784596.db2.gz JUUYWDXDQZJSEK-XCBNKYQSSA-N -2 3 368.371 -0.482 20 0 FBADHL C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H]1C(=O)[O-] ZINC000547919465 484784565 /nfs/dbraw/zinc/78/45/65/484784565.db2.gz JUUYWDXDQZJSEK-XVKPBYJWSA-N -2 3 368.371 -0.482 20 0 FBADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCOCC(=O)[O-])s1 ZINC000547932511 484785314 /nfs/dbraw/zinc/78/53/14/484785314.db2.gz HSFJPHYSECQSFV-UHFFFAOYSA-N -2 3 353.374 -0.077 20 0 FBADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1F ZINC000547933930 484785582 /nfs/dbraw/zinc/78/55/82/484785582.db2.gz TVIGTXPMSUYTSR-UHFFFAOYSA-N -2 3 370.380 -0.423 20 0 FBADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935521 484785956 /nfs/dbraw/zinc/78/59/56/484785956.db2.gz HEMRGTOBBYCTEH-BXKDBHETSA-N -2 3 365.429 -0.017 20 0 FBADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935522 484785286 /nfs/dbraw/zinc/78/52/86/484785286.db2.gz HEMRGTOBBYCTEH-CABZTGNLSA-N -2 3 365.429 -0.017 20 0 FBADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935523 484785725 /nfs/dbraw/zinc/78/57/25/484785725.db2.gz HEMRGTOBBYCTEH-JOYOIKCWSA-N -2 3 365.429 -0.017 20 0 FBADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547935524 484786008 /nfs/dbraw/zinc/78/60/08/484786008.db2.gz HEMRGTOBBYCTEH-SKDRFNHKSA-N -2 3 365.429 -0.017 20 0 FBADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935774 484785794 /nfs/dbraw/zinc/78/57/94/484785794.db2.gz PWTAFNLGZPATSJ-HTRCEHHLSA-N -2 3 352.390 -0.178 20 0 FBADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935775 484785487 /nfs/dbraw/zinc/78/54/87/484785487.db2.gz PWTAFNLGZPATSJ-POYBYMJQSA-N -2 3 352.390 -0.178 20 0 FBADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935776 484785563 /nfs/dbraw/zinc/78/55/63/484785563.db2.gz PWTAFNLGZPATSJ-SVRRBLITSA-N -2 3 352.390 -0.178 20 0 FBADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000547935777 484786038 /nfs/dbraw/zinc/78/60/38/484786038.db2.gz PWTAFNLGZPATSJ-XPUUQOCRSA-N -2 3 352.390 -0.178 20 0 FBADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547936656 484785912 /nfs/dbraw/zinc/78/59/12/484785912.db2.gz PEZISAWYGKRCKP-UHFFFAOYSA-N -2 3 368.371 -0.231 20 0 FBADHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)nn1 ZINC000547940015 484785164 /nfs/dbraw/zinc/78/51/64/484785164.db2.gz CEVRFYYPRLPNSV-UHFFFAOYSA-N -2 3 365.371 -0.873 20 0 FBADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1 ZINC000547940412 484785658 /nfs/dbraw/zinc/78/56/58/484785658.db2.gz LAWTVWCWIKNCGI-UHFFFAOYSA-N -2 3 360.373 -0.311 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1 ZINC000548107520 484792656 /nfs/dbraw/zinc/79/26/56/484792656.db2.gz RCHNTQDZSOCPOK-JTQLQIEISA-N -2 3 351.392 -0.477 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1 ZINC000548107520 484792654 /nfs/dbraw/zinc/79/26/54/484792654.db2.gz RCHNTQDZSOCPOK-JTQLQIEISA-N -2 3 351.392 -0.477 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1 ZINC000548107521 484792792 /nfs/dbraw/zinc/79/27/92/484792792.db2.gz RCHNTQDZSOCPOK-SNVBAGLBSA-N -2 3 351.392 -0.477 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1 ZINC000548107521 484792785 /nfs/dbraw/zinc/79/27/85/484792785.db2.gz RCHNTQDZSOCPOK-SNVBAGLBSA-N -2 3 351.392 -0.477 20 0 FBADHL Cc1nn2cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cnc2c1Cl ZINC000548197525 484795811 /nfs/dbraw/zinc/79/58/11/484795811.db2.gz FOSMVBROCJJWMG-UHFFFAOYSA-N -2 3 361.767 -0.830 20 0 FBADHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000548199901 484795549 /nfs/dbraw/zinc/79/55/49/484795549.db2.gz PFSBKENPKPOGAX-ZCFIWIBFSA-N -2 3 352.166 -0.549 20 0 FBADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C(=O)[O-])cn1 ZINC000548200094 484796213 /nfs/dbraw/zinc/79/62/13/484796213.db2.gz ARFHQYWPDIAJEN-GFCCVEGCSA-N -2 3 373.412 -0.072 20 0 FBADHL Cn1cc([C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C(=O)[O-])cn1 ZINC000548200095 484796229 /nfs/dbraw/zinc/79/62/29/484796229.db2.gz ARFHQYWPDIAJEN-LBPRGKRZSA-N -2 3 373.412 -0.072 20 0 FBADHL COCC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548200541 484795612 /nfs/dbraw/zinc/79/56/12/484795612.db2.gz JMTMSDNBZPQPNR-SECBINFHSA-N -2 3 351.402 -0.142 20 0 FBADHL COCC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000548200542 484796294 /nfs/dbraw/zinc/79/62/94/484796294.db2.gz JMTMSDNBZPQPNR-VIFPVBQESA-N -2 3 351.402 -0.142 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202478 484795871 /nfs/dbraw/zinc/79/58/71/484795871.db2.gz BRZFBZJYSQJVTI-MRVPVSSYSA-N -2 3 374.400 -0.134 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548202479 484796537 /nfs/dbraw/zinc/79/65/37/484796537.db2.gz BRZFBZJYSQJVTI-QMMMGPOBSA-N -2 3 374.400 -0.134 20 0 FBADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1 ZINC000548205904 484795855 /nfs/dbraw/zinc/79/58/55/484795855.db2.gz HBKPPFSNJOWGIM-SECBINFHSA-N -2 3 365.335 -0.265 20 0 FBADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548208197 484795961 /nfs/dbraw/zinc/79/59/61/484795961.db2.gz RTPSXDFQWDVRER-LURJTMIESA-N -2 3 350.736 -0.112 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548209095 484797599 /nfs/dbraw/zinc/79/75/99/484797599.db2.gz HLWBLQMMHKJAEZ-ZETCQYMHSA-N -3 3 351.358 -0.704 20 0 FBADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000548209217 484796915 /nfs/dbraw/zinc/79/69/15/484796915.db2.gz KDQURNDBQLOWSF-ZETCQYMHSA-N -3 3 362.751 -0.103 20 0 FBADHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548210402 484797514 /nfs/dbraw/zinc/79/75/14/484797514.db2.gz MPHXROPBLIDAJH-ZCFIWIBFSA-N -2 3 363.735 -0.619 20 0 FBADHL COC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000548215068 484797247 /nfs/dbraw/zinc/79/72/47/484797247.db2.gz FJPRXGGFUCJCMY-JTQLQIEISA-N -2 3 370.380 -0.425 20 0 FBADHL COC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000548215069 484797831 /nfs/dbraw/zinc/79/78/31/484797831.db2.gz FJPRXGGFUCJCMY-SNVBAGLBSA-N -2 3 370.380 -0.425 20 0 FBADHL COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548216268 484797734 /nfs/dbraw/zinc/79/77/34/484797734.db2.gz WMDZTWQFHOWIAO-MRVPVSSYSA-N -2 3 366.779 -0.418 20 0 FBADHL COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000548216271 484797532 /nfs/dbraw/zinc/79/75/32/484797532.db2.gz WMDZTWQFHOWIAO-QMMMGPOBSA-N -2 3 366.779 -0.418 20 0 FBADHL O=C([O-])c1cccc(CNC(=O)NCC[N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000548217157 484797171 /nfs/dbraw/zinc/79/71/71/484797171.db2.gz MOSNRJVZPJGDRE-UHFFFAOYSA-N -2 3 367.387 -0.114 20 0 FBADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1 ZINC000548223356 484797129 /nfs/dbraw/zinc/79/71/29/484797129.db2.gz XVZWLQSXSPTICK-VIFPVBQESA-N -2 3 365.335 -0.265 20 0 FBADHL CO[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548223530 484797230 /nfs/dbraw/zinc/79/72/30/484797230.db2.gz FVIATGIBXXNTIE-SECBINFHSA-N -3 3 370.380 -0.425 20 0 FBADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548223531 484797709 /nfs/dbraw/zinc/79/77/09/484797709.db2.gz FVIATGIBXXNTIE-VIFPVBQESA-N -3 3 370.380 -0.425 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548224362 484796937 /nfs/dbraw/zinc/79/69/37/484796937.db2.gz AGTWGQFWOVOTLG-RXMQYKEDSA-N -3 3 352.346 -0.617 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-] ZINC000548224363 484797102 /nfs/dbraw/zinc/79/71/02/484797102.db2.gz AGTWGQFWOVOTLG-YFKPBYRVSA-N -3 3 352.346 -0.617 20 0 FBADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000548225490 484797765 /nfs/dbraw/zinc/79/77/65/484797765.db2.gz NHKPPPLBZYGWEV-MRVPVSSYSA-N -2 3 370.387 -0.187 20 0 FBADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000548225491 484797670 /nfs/dbraw/zinc/79/76/70/484797670.db2.gz NHKPPPLBZYGWEV-QMMMGPOBSA-N -2 3 370.387 -0.187 20 0 FBADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1F ZINC000548230732 484798820 /nfs/dbraw/zinc/79/88/20/484798820.db2.gz FWNKYLCIPMMUSA-UHFFFAOYSA-N -2 3 370.380 -0.735 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000548231376 484798480 /nfs/dbraw/zinc/79/84/80/484798480.db2.gz FCFSBDSVBALGCK-UHFFFAOYSA-N -2 3 374.400 -0.755 20 0 FBADHL COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c(C)o1 ZINC000548231922 484798422 /nfs/dbraw/zinc/79/84/22/484798422.db2.gz ZKHCCXJODMFPBF-UHFFFAOYSA-N -2 3 358.332 -0.471 20 0 FBADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])cc1F ZINC000548261447 484800678 /nfs/dbraw/zinc/80/06/78/484800678.db2.gz OZUOILKRKLTHQD-UHFFFAOYSA-N -2 3 355.365 -0.391 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548262782 484801450 /nfs/dbraw/zinc/80/14/50/484801450.db2.gz AGLSQANTPQVTGF-LLVKDONJSA-N -3 3 366.373 -0.226 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548262784 484801203 /nfs/dbraw/zinc/80/12/03/484801203.db2.gz AGLSQANTPQVTGF-NSHDSACASA-N -3 3 366.373 -0.226 20 0 FBADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)s1 ZINC000548264290 484801517 /nfs/dbraw/zinc/80/15/17/484801517.db2.gz JYGHJPBDTVWAJG-UHFFFAOYSA-N -2 3 374.400 -0.382 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-] ZINC000548356191 484803869 /nfs/dbraw/zinc/80/38/69/484803869.db2.gz MWSQNENWEQOSPF-LLVKDONJSA-N -2 3 352.390 -0.319 20 0 FBADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-] ZINC000548356192 484804031 /nfs/dbraw/zinc/80/40/31/484804031.db2.gz MWSQNENWEQOSPF-NSHDSACASA-N -2 3 352.390 -0.319 20 0 FBADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548525228 484812240 /nfs/dbraw/zinc/81/22/40/484812240.db2.gz VXHZEAADTZVOAF-UHFFFAOYSA-N -2 3 352.166 -0.677 20 0 FBADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548525654 484812296 /nfs/dbraw/zinc/81/22/96/484812296.db2.gz MAQMTQHSGJKVHT-UHFFFAOYSA-N -2 3 363.735 -0.746 20 0 FBADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000548529999 484812020 /nfs/dbraw/zinc/81/20/20/484812020.db2.gz NZEJOZZUIXYGPS-SNVBAGLBSA-N -2 3 362.335 -0.391 20 0 FBADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1 ZINC000548530745 484812274 /nfs/dbraw/zinc/81/22/74/484812274.db2.gz UJOWAPKLRCQDCM-SNVBAGLBSA-N -2 3 362.335 -0.391 20 0 FBADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000548532945 484813757 /nfs/dbraw/zinc/81/37/57/484813757.db2.gz 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-0.090 20 0 FBADHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736821489 598424358 /nfs/dbraw/zinc/42/43/58/598424358.db2.gz WXFGEKIRIOEYPC-UHFFFAOYSA-N -2 3 365.357 -0.090 20 0 FBADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000736869007 598856031 /nfs/dbraw/zinc/85/60/31/598856031.db2.gz ACWTXNGXFYTRSF-UHFFFAOYSA-N -2 3 364.387 -0.412 20 0 FBADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000736869007 598856029 /nfs/dbraw/zinc/85/60/29/598856029.db2.gz ACWTXNGXFYTRSF-UHFFFAOYSA-N -2 3 364.387 -0.412 20 0 FBADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000736870886 598855714 /nfs/dbraw/zinc/85/57/14/598855714.db2.gz LJSMOBLSYZSWQG-UHFFFAOYSA-N -2 3 364.387 -0.412 20 0 FBADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000736870886 598855712 /nfs/dbraw/zinc/85/57/12/598855712.db2.gz LJSMOBLSYZSWQG-UHFFFAOYSA-N -2 3 364.387 -0.412 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736908565 598975994 /nfs/dbraw/zinc/97/59/94/598975994.db2.gz GSERQMJEPJNRFE-NXEZZACHSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736908565 598975993 /nfs/dbraw/zinc/97/59/93/598975993.db2.gz GSERQMJEPJNRFE-NXEZZACHSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736908570 598975538 /nfs/dbraw/zinc/97/55/38/598975538.db2.gz GSERQMJEPJNRFE-UWVGGRQHSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736908570 598975537 /nfs/dbraw/zinc/97/55/37/598975537.db2.gz GSERQMJEPJNRFE-UWVGGRQHSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736908572 598975750 /nfs/dbraw/zinc/97/57/50/598975750.db2.gz GSERQMJEPJNRFE-VHSXEESVSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736908572 598975748 /nfs/dbraw/zinc/97/57/48/598975748.db2.gz GSERQMJEPJNRFE-VHSXEESVSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736908574 598975675 /nfs/dbraw/zinc/97/56/75/598975675.db2.gz GSERQMJEPJNRFE-ZJUUUORDSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736908574 598975674 /nfs/dbraw/zinc/97/56/74/598975674.db2.gz GSERQMJEPJNRFE-ZJUUUORDSA-N -2 3 365.371 -0.211 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736909213 598481579 /nfs/dbraw/zinc/48/15/79/598481579.db2.gz IODXIQSUYYUFFG-NXEZZACHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736909213 598481578 /nfs/dbraw/zinc/48/15/78/598481578.db2.gz IODXIQSUYYUFFG-NXEZZACHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736909215 598482033 /nfs/dbraw/zinc/48/20/33/598482033.db2.gz IODXIQSUYYUFFG-UWVGGRQHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736909215 598482030 /nfs/dbraw/zinc/48/20/30/598482030.db2.gz IODXIQSUYYUFFG-UWVGGRQHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736909216 598482088 /nfs/dbraw/zinc/48/20/88/598482088.db2.gz IODXIQSUYYUFFG-VHSXEESVSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736909216 598482086 /nfs/dbraw/zinc/48/20/86/598482086.db2.gz IODXIQSUYYUFFG-VHSXEESVSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736909218 598481601 /nfs/dbraw/zinc/48/16/01/598481601.db2.gz IODXIQSUYYUFFG-ZJUUUORDSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736909218 598481599 /nfs/dbraw/zinc/48/15/99/598481599.db2.gz IODXIQSUYYUFFG-ZJUUUORDSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736910591 598481666 /nfs/dbraw/zinc/48/16/66/598481666.db2.gz PSOLSIIQJUPGPV-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736910591 598481665 /nfs/dbraw/zinc/48/16/65/598481665.db2.gz PSOLSIIQJUPGPV-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736910595 598482015 /nfs/dbraw/zinc/48/20/15/598482015.db2.gz PSOLSIIQJUPGPV-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736910595 598482014 /nfs/dbraw/zinc/48/20/14/598482014.db2.gz PSOLSIIQJUPGPV-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736910599 598481819 /nfs/dbraw/zinc/48/18/19/598481819.db2.gz PSOLSIIQJUPGPV-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736910599 598481817 /nfs/dbraw/zinc/48/18/17/598481817.db2.gz PSOLSIIQJUPGPV-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736910602 598481651 /nfs/dbraw/zinc/48/16/51/598481651.db2.gz PSOLSIIQJUPGPV-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736910602 598481650 /nfs/dbraw/zinc/48/16/50/598481650.db2.gz PSOLSIIQJUPGPV-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736910627 598482044 /nfs/dbraw/zinc/48/20/44/598482044.db2.gz PWTQFGHXRFQSBK-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736910627 598482042 /nfs/dbraw/zinc/48/20/42/598482042.db2.gz PWTQFGHXRFQSBK-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736910629 598481929 /nfs/dbraw/zinc/48/19/29/598481929.db2.gz PWTQFGHXRFQSBK-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736910629 598481927 /nfs/dbraw/zinc/48/19/27/598481927.db2.gz PWTQFGHXRFQSBK-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736910631 598481786 /nfs/dbraw/zinc/48/17/86/598481786.db2.gz PWTQFGHXRFQSBK-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736910631 598481784 /nfs/dbraw/zinc/48/17/84/598481784.db2.gz PWTQFGHXRFQSBK-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736910633 598481981 /nfs/dbraw/zinc/48/19/81/598481981.db2.gz PWTQFGHXRFQSBK-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736910633 598481979 /nfs/dbraw/zinc/48/19/79/598481979.db2.gz PWTQFGHXRFQSBK-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911514 598481672 /nfs/dbraw/zinc/48/16/72/598481672.db2.gz WERPDVWYWABEBP-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911514 598481671 /nfs/dbraw/zinc/48/16/71/598481671.db2.gz WERPDVWYWABEBP-GHMZBOCLSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911515 598481975 /nfs/dbraw/zinc/48/19/75/598481975.db2.gz WERPDVWYWABEBP-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911515 598481973 /nfs/dbraw/zinc/48/19/73/598481973.db2.gz WERPDVWYWABEBP-MNOVXSKESA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911516 598481755 /nfs/dbraw/zinc/48/17/55/598481755.db2.gz WERPDVWYWABEBP-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911516 598481753 /nfs/dbraw/zinc/48/17/53/598481753.db2.gz WERPDVWYWABEBP-QWRGUYRKSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911517 598481803 /nfs/dbraw/zinc/48/18/03/598481803.db2.gz WERPDVWYWABEBP-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911517 598481801 /nfs/dbraw/zinc/48/18/01/598481801.db2.gz WERPDVWYWABEBP-WDEREUQCSA-N -2 3 365.371 -0.378 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736911870 598481835 /nfs/dbraw/zinc/48/18/35/598481835.db2.gz XVJJSUKKZMZOQI-NXEZZACHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736911870 598481833 /nfs/dbraw/zinc/48/18/33/598481833.db2.gz XVJJSUKKZMZOQI-NXEZZACHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736911871 598481813 /nfs/dbraw/zinc/48/18/13/598481813.db2.gz XVJJSUKKZMZOQI-UWVGGRQHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736911871 598481811 /nfs/dbraw/zinc/48/18/11/598481811.db2.gz XVJJSUKKZMZOQI-UWVGGRQHSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736911872 598482056 /nfs/dbraw/zinc/48/20/56/598482056.db2.gz XVJJSUKKZMZOQI-VHSXEESVSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736911872 598482054 /nfs/dbraw/zinc/48/20/54/598482054.db2.gz XVJJSUKKZMZOQI-VHSXEESVSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736911873 598481684 /nfs/dbraw/zinc/48/16/84/598481684.db2.gz XVJJSUKKZMZOQI-ZJUUUORDSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736911873 598481682 /nfs/dbraw/zinc/48/16/82/598481682.db2.gz XVJJSUKKZMZOQI-ZJUUUORDSA-N -2 3 351.344 -0.519 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736912714 598924441 /nfs/dbraw/zinc/92/44/41/598924441.db2.gz GBRGCZHOUKGDJS-UHFFFAOYSA-N -2 3 367.387 -0.192 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736912714 598924439 /nfs/dbraw/zinc/92/44/39/598924439.db2.gz GBRGCZHOUKGDJS-UHFFFAOYSA-N -2 3 367.387 -0.192 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736913274 598924786 /nfs/dbraw/zinc/92/47/86/598924786.db2.gz MEYCPDWLMXOFDQ-UHFFFAOYSA-N -2 3 353.360 -0.121 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736913274 598924785 /nfs/dbraw/zinc/92/47/85/598924785.db2.gz MEYCPDWLMXOFDQ-UHFFFAOYSA-N -2 3 353.360 -0.121 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000736913429 599028254 /nfs/dbraw/zinc/02/82/54/599028254.db2.gz PVBUFLZHPZJDDJ-UHFFFAOYSA-N -2 3 359.389 -0.059 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000736913429 599028252 /nfs/dbraw/zinc/02/82/52/599028252.db2.gz PVBUFLZHPZJDDJ-UHFFFAOYSA-N -2 3 359.389 -0.059 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736913667 598924862 /nfs/dbraw/zinc/92/48/62/598924862.db2.gz UXKSTSUBAKYRHK-UHFFFAOYSA-N -2 3 353.360 -0.121 20 0 FBADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736913667 598924860 /nfs/dbraw/zinc/92/48/60/598924860.db2.gz UXKSTSUBAKYRHK-UHFFFAOYSA-N -2 3 353.360 -0.121 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000736929985 598512684 /nfs/dbraw/zinc/51/26/84/598512684.db2.gz CMICRTIPTWDSOS-VIFPVBQESA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000736929985 598512682 /nfs/dbraw/zinc/51/26/82/598512682.db2.gz CMICRTIPTWDSOS-VIFPVBQESA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736930953 598637048 /nfs/dbraw/zinc/63/70/48/598637048.db2.gz KVDRUPBAUZREOL-MRVPVSSYSA-N -2 3 369.359 -0.747 20 0 FBADHL COC(=O)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736930953 598637047 /nfs/dbraw/zinc/63/70/47/598637047.db2.gz KVDRUPBAUZREOL-MRVPVSSYSA-N -2 3 369.359 -0.747 20 0 FBADHL COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736930955 598638074 /nfs/dbraw/zinc/63/80/74/598638074.db2.gz KVDRUPBAUZREOL-QMMMGPOBSA-N -2 3 369.359 -0.747 20 0 FBADHL COC(=O)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736930955 598638072 /nfs/dbraw/zinc/63/80/72/598638072.db2.gz KVDRUPBAUZREOL-QMMMGPOBSA-N -2 3 369.359 -0.747 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000736931095 598512623 /nfs/dbraw/zinc/51/26/23/598512623.db2.gz PHQLUBYMQCMYFR-VIFPVBQESA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000736931095 598512621 /nfs/dbraw/zinc/51/26/21/598512621.db2.gz PHQLUBYMQCMYFR-VIFPVBQESA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000736931507 598512904 /nfs/dbraw/zinc/51/29/04/598512904.db2.gz XAYOKPQTBOHIPA-QMMMGPOBSA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000736931507 598512903 /nfs/dbraw/zinc/51/29/03/598512903.db2.gz XAYOKPQTBOHIPA-QMMMGPOBSA-N -2 3 355.332 -0.839 20 0 FBADHL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736932471 598977536 /nfs/dbraw/zinc/97/75/36/598977536.db2.gz MACNUANRNKJMAA-UHFFFAOYSA-N -2 3 368.375 -0.322 20 0 FBADHL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736932471 598977534 /nfs/dbraw/zinc/97/75/34/598977534.db2.gz MACNUANRNKJMAA-UHFFFAOYSA-N -2 3 368.375 -0.322 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736934336 598977541 /nfs/dbraw/zinc/97/75/41/598977541.db2.gz AKNLBBMXKAISNQ-UHFFFAOYSA-N -2 3 354.348 -0.664 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736934336 598977539 /nfs/dbraw/zinc/97/75/39/598977539.db2.gz AKNLBBMXKAISNQ-UHFFFAOYSA-N -2 3 354.348 -0.664 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736936416 598786846 /nfs/dbraw/zinc/78/68/46/598786846.db2.gz QVXPYSKRWXNNCN-UHFFFAOYSA-N -2 3 354.348 -0.831 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736936416 598786844 /nfs/dbraw/zinc/78/68/44/598786844.db2.gz QVXPYSKRWXNNCN-UHFFFAOYSA-N -2 3 354.348 -0.831 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736936450 598414571 /nfs/dbraw/zinc/41/45/71/598414571.db2.gz RFHDWQRMOZMZQF-UHFFFAOYSA-N -2 3 374.766 -0.319 20 0 FBADHL COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736936450 598414570 /nfs/dbraw/zinc/41/45/70/598414570.db2.gz RFHDWQRMOZMZQF-UHFFFAOYSA-N -2 3 374.766 -0.319 20 0 FBADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736937164 598485683 /nfs/dbraw/zinc/48/56/83/598485683.db2.gz JYBIRLJGSZUWOV-UHFFFAOYSA-N -2 3 368.375 -0.192 20 0 FBADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736937164 598485682 /nfs/dbraw/zinc/48/56/82/598485682.db2.gz JYBIRLJGSZUWOV-UHFFFAOYSA-N -2 3 368.375 -0.192 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736937171 598974576 /nfs/dbraw/zinc/97/45/76/598974576.db2.gz KJHMVKZUWDDXFY-UHFFFAOYSA-N -2 3 368.375 -0.274 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736937171 598974574 /nfs/dbraw/zinc/97/45/74/598974574.db2.gz KJHMVKZUWDDXFY-UHFFFAOYSA-N -2 3 368.375 -0.274 20 0 FBADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736937568 598485308 /nfs/dbraw/zinc/48/53/08/598485308.db2.gz MMIGPKDVPMELAT-UHFFFAOYSA-N -2 3 368.375 -0.192 20 0 FBADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736937568 598485306 /nfs/dbraw/zinc/48/53/06/598485306.db2.gz MMIGPKDVPMELAT-UHFFFAOYSA-N -2 3 368.375 -0.192 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736937654 598485590 /nfs/dbraw/zinc/48/55/90/598485590.db2.gz OKAGBJOZUZWFOA-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736937654 598485589 /nfs/dbraw/zinc/48/55/89/598485589.db2.gz OKAGBJOZUZWFOA-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736937707 598485320 /nfs/dbraw/zinc/48/53/20/598485320.db2.gz PHDPHULBMLXEMW-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736937707 598485318 /nfs/dbraw/zinc/48/53/18/598485318.db2.gz PHDPHULBMLXEMW-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736938162 598485390 /nfs/dbraw/zinc/48/53/90/598485390.db2.gz QCAOLAPAFLLNKR-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736938162 598485388 /nfs/dbraw/zinc/48/53/88/598485388.db2.gz QCAOLAPAFLLNKR-UHFFFAOYSA-N -2 3 368.375 -0.441 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736938953 598485333 /nfs/dbraw/zinc/48/53/33/598485333.db2.gz WVJWBGFHJXNYHV-UHFFFAOYSA-N -2 3 354.348 -0.582 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736938953 598485331 /nfs/dbraw/zinc/48/53/31/598485331.db2.gz WVJWBGFHJXNYHV-UHFFFAOYSA-N -2 3 354.348 -0.582 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736939402 598485361 /nfs/dbraw/zinc/48/53/61/598485361.db2.gz YMZIPBPNBPJQBN-UHFFFAOYSA-N -2 3 354.348 -0.582 20 0 FBADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736939402 598485359 /nfs/dbraw/zinc/48/53/59/598485359.db2.gz YMZIPBPNBPJQBN-UHFFFAOYSA-N -2 3 354.348 -0.582 20 0 FBADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736970204 598858531 /nfs/dbraw/zinc/85/85/31/598858531.db2.gz PBCRPALRTJKWSO-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736970204 598858530 /nfs/dbraw/zinc/85/85/30/598858530.db2.gz PBCRPALRTJKWSO-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736970208 598858570 /nfs/dbraw/zinc/85/85/70/598858570.db2.gz PBCRPALRTJKWSO-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736970208 598858569 /nfs/dbraw/zinc/85/85/69/598858569.db2.gz PBCRPALRTJKWSO-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736972108 598858592 /nfs/dbraw/zinc/85/85/92/598858592.db2.gz WJHKGOGCBVCNLS-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736972109 598858698 /nfs/dbraw/zinc/85/86/98/598858698.db2.gz WJHKGOGCBVCNLS-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736972823 598858813 /nfs/dbraw/zinc/85/88/13/598858813.db2.gz YFUDOHCJWGEHKI-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736972823 598858811 /nfs/dbraw/zinc/85/88/11/598858811.db2.gz YFUDOHCJWGEHKI-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736972826 598858641 /nfs/dbraw/zinc/85/86/41/598858641.db2.gz YFUDOHCJWGEHKI-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736972826 598858640 /nfs/dbraw/zinc/85/86/40/598858640.db2.gz YFUDOHCJWGEHKI-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737012957 598740141 /nfs/dbraw/zinc/74/01/41/598740141.db2.gz CAHFVTZDWOIJSX-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737012958 598740218 /nfs/dbraw/zinc/74/02/18/598740218.db2.gz CAHFVTZDWOIJSX-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737013479 598740105 /nfs/dbraw/zinc/74/01/05/598740105.db2.gz IUYNPTOSYNOEAN-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737013479 598740104 /nfs/dbraw/zinc/74/01/04/598740104.db2.gz IUYNPTOSYNOEAN-SECBINFHSA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000737013481 598740025 /nfs/dbraw/zinc/74/00/25/598740025.db2.gz IUYNPTOSYNOEAN-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737013481 598740024 /nfs/dbraw/zinc/74/00/24/598740024.db2.gz IUYNPTOSYNOEAN-VIFPVBQESA-N -2 3 355.376 -0.274 20 0 FBADHL COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737023158 598424418 /nfs/dbraw/zinc/42/44/18/598424418.db2.gz CNRFFUWHGYYHDT-UHFFFAOYSA-N -2 3 368.313 -0.135 20 0 FBADHL COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000737023158 598424416 /nfs/dbraw/zinc/42/44/16/598424416.db2.gz CNRFFUWHGYYHDT-UHFFFAOYSA-N -2 3 368.313 -0.135 20 0 FBADHL CCOC(=O)N1CCC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000737145235 600981300 /nfs/dbraw/zinc/98/13/00/600981300.db2.gz GVFIDLABAMCTDL-JTQLQIEISA-N -2 3 366.392 -0.457 20 0 FBADHL CCOC(=O)N1CCC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)CC1 ZINC000737145237 600981199 /nfs/dbraw/zinc/98/11/99/600981199.db2.gz GVFIDLABAMCTDL-SNVBAGLBSA-N -2 3 366.392 -0.457 20 0 FBADHL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737161444 598543802 /nfs/dbraw/zinc/54/38/02/598543802.db2.gz JYZZYYCXGYYPHI-UHFFFAOYSA-N -2 3 373.416 -0.504 20 0 FBADHL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737161444 598543801 /nfs/dbraw/zinc/54/38/01/598543801.db2.gz JYZZYYCXGYYPHI-UHFFFAOYSA-N -2 3 373.416 -0.504 20 0 FBADHL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737162878 598543939 /nfs/dbraw/zinc/54/39/39/598543939.db2.gz SQYWSHZOCXVYPQ-UHFFFAOYSA-N -2 3 373.416 -0.504 20 0 FBADHL CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737162878 598543937 /nfs/dbraw/zinc/54/39/37/598543937.db2.gz SQYWSHZOCXVYPQ-UHFFFAOYSA-N -2 3 373.416 -0.504 20 0 FBADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737163771 598925257 /nfs/dbraw/zinc/92/52/57/598925257.db2.gz OFSDNYJKNWGLTR-UHFFFAOYSA-N -2 3 361.343 -0.216 20 0 FBADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737163771 598925255 /nfs/dbraw/zinc/92/52/55/598925255.db2.gz OFSDNYJKNWGLTR-UHFFFAOYSA-N -2 3 361.343 -0.216 20 0 FBADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737163801 598924997 /nfs/dbraw/zinc/92/49/97/598924997.db2.gz PCUVZCCECLQPTA-UHFFFAOYSA-N -2 3 361.343 -0.216 20 0 FBADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737163801 598924995 /nfs/dbraw/zinc/92/49/95/598924995.db2.gz PCUVZCCECLQPTA-UHFFFAOYSA-N -2 3 361.343 -0.216 20 0 FBADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000737174402 598460606 /nfs/dbraw/zinc/46/06/06/598460606.db2.gz WDNZGJIUIPNOJN-UHFFFAOYSA-N -2 3 367.376 -0.263 20 0 FBADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737226029 598949303 /nfs/dbraw/zinc/94/93/03/598949303.db2.gz YOMGBDGEPWJCKF-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737226029 598949301 /nfs/dbraw/zinc/94/93/01/598949301.db2.gz YOMGBDGEPWJCKF-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000737226323 598947884 /nfs/dbraw/zinc/94/78/84/598947884.db2.gz VILAUFOHZBHJEM-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000737226323 598947882 /nfs/dbraw/zinc/94/78/82/598947882.db2.gz VILAUFOHZBHJEM-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1OC ZINC000737226443 600333329 /nfs/dbraw/zinc/33/33/29/600333329.db2.gz MVNZCRLEUIVDMG-UHFFFAOYSA-N -2 3 373.387 -0.014 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000737297544 598975861 /nfs/dbraw/zinc/97/58/61/598975861.db2.gz BGADRRHMFPLWCF-UHFFFAOYSA-N -2 3 374.382 -0.007 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000737297544 598975859 /nfs/dbraw/zinc/97/58/59/598975859.db2.gz BGADRRHMFPLWCF-UHFFFAOYSA-N -2 3 374.382 -0.007 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccn(C)c1=O ZINC000737297552 598975693 /nfs/dbraw/zinc/97/56/93/598975693.db2.gz BKSHFOKAQDJBNT-UHFFFAOYSA-N -2 3 374.382 -0.007 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000737298812 598976379 /nfs/dbraw/zinc/97/63/79/598976379.db2.gz LSBKHFCFFOEIDD-UHFFFAOYSA-N -2 3 361.387 -0.044 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cnn(C)c1 ZINC000737298812 598976377 /nfs/dbraw/zinc/97/63/77/598976377.db2.gz LSBKHFCFFOEIDD-UHFFFAOYSA-N -2 3 361.387 -0.044 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000737298987 598975344 /nfs/dbraw/zinc/97/53/44/598975344.db2.gz NQEIFTBISOXCKB-JTQLQIEISA-N -2 3 353.360 -0.605 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1COCCO1 ZINC000737298987 598975343 /nfs/dbraw/zinc/97/53/43/598975343.db2.gz NQEIFTBISOXCKB-JTQLQIEISA-N -2 3 353.360 -0.605 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000737298990 598975247 /nfs/dbraw/zinc/97/52/47/598975247.db2.gz NQEIFTBISOXCKB-SNVBAGLBSA-N -2 3 353.360 -0.605 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COCCO1 ZINC000737298990 598975245 /nfs/dbraw/zinc/97/52/45/598975245.db2.gz NQEIFTBISOXCKB-SNVBAGLBSA-N -2 3 353.360 -0.605 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000737300037 598977166 /nfs/dbraw/zinc/97/71/66/598977166.db2.gz UUMMLIOFIYMVII-UHFFFAOYSA-N -2 3 374.382 -0.158 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cn1ccccc1=O ZINC000737300037 598977165 /nfs/dbraw/zinc/97/71/65/598977165.db2.gz UUMMLIOFIYMVII-UHFFFAOYSA-N -2 3 374.382 -0.158 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C1 ZINC000737300505 598976943 /nfs/dbraw/zinc/97/69/43/598976943.db2.gz ZPCOBIMOXPIHJN-SECBINFHSA-N -2 3 350.360 -0.884 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CNC(=O)C1 ZINC000737300505 598976941 /nfs/dbraw/zinc/97/69/41/598976941.db2.gz ZPCOBIMOXPIHJN-SECBINFHSA-N -2 3 350.360 -0.884 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C1 ZINC000737300507 598977190 /nfs/dbraw/zinc/97/71/90/598977190.db2.gz ZPCOBIMOXPIHJN-VIFPVBQESA-N -2 3 350.360 -0.884 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CNC(=O)C1 ZINC000737300507 598977187 /nfs/dbraw/zinc/97/71/87/598977187.db2.gz ZPCOBIMOXPIHJN-VIFPVBQESA-N -2 3 350.360 -0.884 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000737300882 598930441 /nfs/dbraw/zinc/93/04/41/598930441.db2.gz FHPHYRPGYGIWDZ-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737301751 598930799 /nfs/dbraw/zinc/93/07/99/598930799.db2.gz SAWSKZXMNCORHG-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1 ZINC000737301751 598930797 /nfs/dbraw/zinc/93/07/97/598930797.db2.gz SAWSKZXMNCORHG-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL CN(C)C(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000737350831 600084811 /nfs/dbraw/zinc/08/48/11/600084811.db2.gz UJRGYXQSKHFHLP-UHFFFAOYSA-N -2 3 359.404 -0.191 20 0 FBADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737487323 598259464 /nfs/dbraw/zinc/25/94/64/598259464.db2.gz HRXUWRQBGIRWMI-UHFFFAOYSA-N -2 3 354.334 -0.107 20 0 FBADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000737601402 598799386 /nfs/dbraw/zinc/79/93/86/598799386.db2.gz DGDFXVBXIJNZEH-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000737601402 598799385 /nfs/dbraw/zinc/79/93/85/598799385.db2.gz DGDFXVBXIJNZEH-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737601662 598306969 /nfs/dbraw/zinc/30/69/69/598306969.db2.gz BIWSPVDQIQMRHN-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737601662 598306967 /nfs/dbraw/zinc/30/69/67/598306967.db2.gz BIWSPVDQIQMRHN-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737604899 598307081 /nfs/dbraw/zinc/30/70/81/598307081.db2.gz QGTQLKXCSDUORH-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737604899 598307080 /nfs/dbraw/zinc/30/70/80/598307080.db2.gz QGTQLKXCSDUORH-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000737604975 598306911 /nfs/dbraw/zinc/30/69/11/598306911.db2.gz RHFAAYHOQWFWOX-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000737604975 598306910 /nfs/dbraw/zinc/30/69/10/598306910.db2.gz RHFAAYHOQWFWOX-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737611971 598856163 /nfs/dbraw/zinc/85/61/63/598856163.db2.gz GAFCOTSFSNRGAR-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000737611971 598856162 /nfs/dbraw/zinc/85/61/62/598856162.db2.gz GAFCOTSFSNRGAR-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737613399 598856160 /nfs/dbraw/zinc/85/61/60/598856160.db2.gz NPCNJRUFOVCWFK-UHFFFAOYSA-N -2 3 360.355 -0.316 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1=O ZINC000737613426 598856358 /nfs/dbraw/zinc/85/63/58/598856358.db2.gz OFRAPXHEHHKJBR-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC000737613465 598856199 /nfs/dbraw/zinc/85/61/99/598856199.db2.gz PNZJQKYLFFOZAV-UHFFFAOYSA-N -2 3 360.355 -0.316 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000737614636 598856561 /nfs/dbraw/zinc/85/65/61/598856561.db2.gz WSSLNDUCIBAYFS-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL Cn1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000737614636 598856560 /nfs/dbraw/zinc/85/65/60/598856560.db2.gz WSSLNDUCIBAYFS-UHFFFAOYSA-N -2 3 374.382 -0.175 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000737747349 599262366 /nfs/dbraw/zinc/26/23/66/599262366.db2.gz LYMAODQSKZCRMD-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000737747349 599262364 /nfs/dbraw/zinc/26/23/64/599262364.db2.gz LYMAODQSKZCRMD-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737747395 599262670 /nfs/dbraw/zinc/26/26/70/599262670.db2.gz MLCCTCMYOWKBNM-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737747395 599262668 /nfs/dbraw/zinc/26/26/68/599262668.db2.gz MLCCTCMYOWKBNM-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737748355 599262486 /nfs/dbraw/zinc/26/24/86/599262486.db2.gz SDEHZMKFLXLQMK-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737748355 599262481 /nfs/dbraw/zinc/26/24/81/599262481.db2.gz SDEHZMKFLXLQMK-UHFFFAOYSA-N -2 3 362.375 -0.261 20 0 FBADHL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737758180 598844096 /nfs/dbraw/zinc/84/40/96/598844096.db2.gz GXUMJDXEDXVMCW-UHFFFAOYSA-N -2 3 366.338 -0.512 20 0 FBADHL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737758180 598844095 /nfs/dbraw/zinc/84/40/95/598844095.db2.gz GXUMJDXEDXVMCW-UHFFFAOYSA-N -2 3 366.338 -0.512 20 0 FBADHL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737759513 598844033 /nfs/dbraw/zinc/84/40/33/598844033.db2.gz UASXLHQEBQDFIF-UHFFFAOYSA-N -2 3 366.338 -0.512 20 0 FBADHL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000737759513 598844032 /nfs/dbraw/zinc/84/40/32/598844032.db2.gz UASXLHQEBQDFIF-UHFFFAOYSA-N -2 3 366.338 -0.512 20 0 FBADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737842937 598536567 /nfs/dbraw/zinc/53/65/67/598536567.db2.gz FTXFGOAXLJNCKQ-UHFFFAOYSA-N -2 3 364.387 -0.316 20 0 FBADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737842937 598536565 /nfs/dbraw/zinc/53/65/65/598536565.db2.gz FTXFGOAXLJNCKQ-UHFFFAOYSA-N -2 3 364.387 -0.316 20 0 FBADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737843904 598536573 /nfs/dbraw/zinc/53/65/73/598536573.db2.gz OSGIJSQYHCDIKL-UHFFFAOYSA-N -2 3 364.387 -0.316 20 0 FBADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737843904 598536571 /nfs/dbraw/zinc/53/65/71/598536571.db2.gz OSGIJSQYHCDIKL-UHFFFAOYSA-N -2 3 364.387 -0.316 20 0 FBADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737915404 660422669 /nfs/dbraw/zinc/42/26/69/660422669.db2.gz GYWMTTOKXOVGQA-UHFFFAOYSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737915404 660422668 /nfs/dbraw/zinc/42/26/68/660422668.db2.gz GYWMTTOKXOVGQA-UHFFFAOYSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737916557 598856248 /nfs/dbraw/zinc/85/62/48/598856248.db2.gz OBHYAPZYAPNRNO-LLVKDONJSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737916557 598856247 /nfs/dbraw/zinc/85/62/47/598856247.db2.gz OBHYAPZYAPNRNO-LLVKDONJSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737916558 598856433 /nfs/dbraw/zinc/85/64/33/598856433.db2.gz OBHYAPZYAPNRNO-NSHDSACASA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737916558 598856431 /nfs/dbraw/zinc/85/64/31/598856431.db2.gz OBHYAPZYAPNRNO-NSHDSACASA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737916781 660538256 /nfs/dbraw/zinc/53/82/56/660538256.db2.gz YIHMYONFQNNNOZ-UHFFFAOYSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737916781 660538255 /nfs/dbraw/zinc/53/82/55/660538255.db2.gz YIHMYONFQNNNOZ-UHFFFAOYSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737917435 598856158 /nfs/dbraw/zinc/85/61/58/598856158.db2.gz XRGNLUGMQKKAGF-LLVKDONJSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737917435 598856156 /nfs/dbraw/zinc/85/61/56/598856156.db2.gz XRGNLUGMQKKAGF-LLVKDONJSA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737917439 598856283 /nfs/dbraw/zinc/85/62/83/598856283.db2.gz XRGNLUGMQKKAGF-NSHDSACASA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737917439 598856281 /nfs/dbraw/zinc/85/62/81/598856281.db2.gz XRGNLUGMQKKAGF-NSHDSACASA-N -2 3 367.387 -0.133 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737918535 598858656 /nfs/dbraw/zinc/85/86/56/598858656.db2.gz JEQAUCXZEDPKNX-LLVKDONJSA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737918536 598858509 /nfs/dbraw/zinc/85/85/09/598858509.db2.gz JEQAUCXZEDPKNX-NSHDSACASA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737924419 598858623 /nfs/dbraw/zinc/85/86/23/598858623.db2.gz FCNAUWCMIZXPQN-LLVKDONJSA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737924419 598858622 /nfs/dbraw/zinc/85/86/22/598858622.db2.gz FCNAUWCMIZXPQN-LLVKDONJSA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737924420 598858632 /nfs/dbraw/zinc/85/86/32/598858632.db2.gz FCNAUWCMIZXPQN-NSHDSACASA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737924420 598858631 /nfs/dbraw/zinc/85/86/31/598858631.db2.gz FCNAUWCMIZXPQN-NSHDSACASA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737931272 598858670 /nfs/dbraw/zinc/85/86/70/598858670.db2.gz SGUWYIQCYNVQJP-SECBINFHSA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737931272 598858669 /nfs/dbraw/zinc/85/86/69/598858669.db2.gz SGUWYIQCYNVQJP-SECBINFHSA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737932146 598858516 /nfs/dbraw/zinc/85/85/16/598858516.db2.gz SGUWYIQCYNVQJP-VIFPVBQESA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737932146 598858515 /nfs/dbraw/zinc/85/85/15/598858515.db2.gz SGUWYIQCYNVQJP-VIFPVBQESA-N -2 3 353.360 -0.520 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737980274 598424891 /nfs/dbraw/zinc/42/48/91/598424891.db2.gz BIHYWSAECGCGFG-UHFFFAOYSA-N -2 3 351.330 -0.432 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737980274 598424888 /nfs/dbraw/zinc/42/48/88/598424888.db2.gz BIHYWSAECGCGFG-UHFFFAOYSA-N -2 3 351.330 -0.432 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccccc1-c1nn[n-]n1 ZINC000737980321 598432460 /nfs/dbraw/zinc/43/24/60/598432460.db2.gz CFHAVDGZBGCRBT-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccccc1-c1nnn[n-]1 ZINC000737980321 598432459 /nfs/dbraw/zinc/43/24/59/598432459.db2.gz CFHAVDGZBGCRBT-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737982071 598432364 /nfs/dbraw/zinc/43/23/64/598432364.db2.gz MZTBDVVCPDDJSY-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000737982071 598432363 /nfs/dbraw/zinc/43/23/63/598432363.db2.gz MZTBDVVCPDDJSY-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737983470 598424792 /nfs/dbraw/zinc/42/47/92/598424792.db2.gz WIIJORHOTIKIJD-UHFFFAOYSA-N -2 3 369.320 -0.293 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737983470 598424790 /nfs/dbraw/zinc/42/47/90/598424790.db2.gz WIIJORHOTIKIJD-UHFFFAOYSA-N -2 3 369.320 -0.293 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cccc(-c2nn[n-]n2)c1 ZINC000737983535 598432138 /nfs/dbraw/zinc/43/21/38/598432138.db2.gz XGCAXBPYVMTUJH-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cccc(-c2nnn[n-]2)c1 ZINC000737983535 598432136 /nfs/dbraw/zinc/43/21/36/598432136.db2.gz XGCAXBPYVMTUJH-UHFFFAOYSA-N -2 3 352.314 -0.005 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1COCCO1 ZINC000738140458 598415281 /nfs/dbraw/zinc/41/52/81/598415281.db2.gz VKGQVIVEFGYUNH-JTQLQIEISA-N -2 3 373.778 -0.260 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1COCCO1 ZINC000738140458 598415279 /nfs/dbraw/zinc/41/52/79/598415279.db2.gz VKGQVIVEFGYUNH-JTQLQIEISA-N -2 3 373.778 -0.260 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1COCCO1 ZINC000738140460 598415516 /nfs/dbraw/zinc/41/55/16/598415516.db2.gz VKGQVIVEFGYUNH-SNVBAGLBSA-N -2 3 373.778 -0.260 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1COCCO1 ZINC000738140460 598415515 /nfs/dbraw/zinc/41/55/15/598415515.db2.gz VKGQVIVEFGYUNH-SNVBAGLBSA-N -2 3 373.778 -0.260 20 0 FBADHL CS(=O)(=O)[N-]c1cc(C(=O)OCC(=O)NCCC(=O)[O-])ccc1F ZINC000738163797 599748783 /nfs/dbraw/zinc/74/87/83/599748783.db2.gz GYUASIKGBXSGKZ-UHFFFAOYSA-N -2 3 362.335 -0.055 20 0 FBADHL O=C([O-])CC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000738206018 598505690 /nfs/dbraw/zinc/50/56/90/598505690.db2.gz AIPZSSUHCOSJEJ-VIFPVBQESA-N -3 3 355.332 -0.537 20 0 FBADHL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000738209458 598505962 /nfs/dbraw/zinc/50/59/62/598505962.db2.gz OTKLOKWONNTAQB-VIFPVBQESA-N -3 3 355.332 -0.537 20 0 FBADHL O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000738209458 598505960 /nfs/dbraw/zinc/50/59/60/598505960.db2.gz OTKLOKWONNTAQB-VIFPVBQESA-N -3 3 355.332 -0.537 20 0 FBADHL O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000738211604 598505747 /nfs/dbraw/zinc/50/57/47/598505747.db2.gz SIYHVKKIFGXZJI-QMMMGPOBSA-N -3 3 355.332 -0.537 20 0 FBADHL O=C([O-])CC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000738211604 598505745 /nfs/dbraw/zinc/50/57/45/598505745.db2.gz SIYHVKKIFGXZJI-QMMMGPOBSA-N -3 3 355.332 -0.537 20 0 FBADHL O=C(c1n[nH]c(=O)[n-]1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738293238 598289073 /nfs/dbraw/zinc/28/90/73/598289073.db2.gz UBYLIGLOSDRVNP-UHFFFAOYSA-N -2 3 359.325 -0.208 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738294297 598719731 /nfs/dbraw/zinc/71/97/31/598719731.db2.gz BQJMCSYFLIXQRN-UHFFFAOYSA-N -2 3 354.374 -0.219 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738294297 598719730 /nfs/dbraw/zinc/71/97/30/598719730.db2.gz BQJMCSYFLIXQRN-UHFFFAOYSA-N -2 3 354.374 -0.219 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738297691 598718251 /nfs/dbraw/zinc/71/82/51/598718251.db2.gz UQPWGWLZEVAORA-UHFFFAOYSA-N -2 3 354.374 -0.613 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738298115 598625280 /nfs/dbraw/zinc/62/52/80/598625280.db2.gz WFADXFYXDXUOGT-UHFFFAOYSA-N -2 3 358.337 -0.470 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738298115 598625278 /nfs/dbraw/zinc/62/52/78/598625278.db2.gz WFADXFYXDXUOGT-UHFFFAOYSA-N -2 3 358.337 -0.470 20 0 FBADHL O=C(c1cc(=O)[nH][n-]1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738298128 598721081 /nfs/dbraw/zinc/72/10/81/598721081.db2.gz WJKFGVYIMUVAJV-UHFFFAOYSA-N -2 3 358.337 -0.470 20 0 FBADHL O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cc(=O)[nH][n-]1 ZINC000738298762 598721590 /nfs/dbraw/zinc/72/15/90/598721590.db2.gz XUJWBAUEMBZNQK-UHFFFAOYSA-N -2 3 355.362 -0.777 20 0 FBADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cc(=O)[nH][n-]1 ZINC000738298762 598721588 /nfs/dbraw/zinc/72/15/88/598721588.db2.gz XUJWBAUEMBZNQK-UHFFFAOYSA-N -2 3 355.362 -0.777 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CNC(=O)C1 ZINC000738301129 598415630 /nfs/dbraw/zinc/41/56/30/598415630.db2.gz KUWBXSIPMRAFOO-LURJTMIESA-N -2 3 370.778 -0.539 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CNC(=O)C1 ZINC000738301129 598415628 /nfs/dbraw/zinc/41/56/28/598415628.db2.gz KUWBXSIPMRAFOO-LURJTMIESA-N -2 3 370.778 -0.539 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CNC(=O)C1 ZINC000738301130 598416038 /nfs/dbraw/zinc/41/60/38/598416038.db2.gz KUWBXSIPMRAFOO-ZCFIWIBFSA-N -2 3 370.778 -0.539 20 0 FBADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CNC(=O)C1 ZINC000738301130 598416037 /nfs/dbraw/zinc/41/60/37/598416037.db2.gz KUWBXSIPMRAFOO-ZCFIWIBFSA-N -2 3 370.778 -0.539 20 0 FBADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339274 598844144 /nfs/dbraw/zinc/84/41/44/598844144.db2.gz LHSZYDUYYGUPIA-UHFFFAOYSA-N -2 3 353.339 -0.005 20 0 FBADHL O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738339274 598844143 /nfs/dbraw/zinc/84/41/43/598844143.db2.gz LHSZYDUYYGUPIA-UHFFFAOYSA-N -2 3 353.339 -0.005 20 0 FBADHL O=C([O-])C1CCN(C(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000738468023 600164559 /nfs/dbraw/zinc/16/45/59/600164559.db2.gz IWEHEEJXFUDNPV-UHFFFAOYSA-N -2 3 364.354 -0.012 20 0 FBADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c([O-])c1 ZINC000738515587 599789259 /nfs/dbraw/zinc/78/92/59/599789259.db2.gz 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20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)nnn1C ZINC000822020489 599620140 /nfs/dbraw/zinc/62/01/40/599620140.db2.gz DITLNTQNVWFWRD-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)nnn1C ZINC000822020489 599620139 /nfs/dbraw/zinc/62/01/39/599620139.db2.gz DITLNTQNVWFWRD-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC000822020555 599620119 /nfs/dbraw/zinc/62/01/19/599620119.db2.gz DREZACRUSZUYPF-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC000822020555 599620118 /nfs/dbraw/zinc/62/01/18/599620118.db2.gz DREZACRUSZUYPF-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)nnn1C ZINC000822021027 599621614 /nfs/dbraw/zinc/62/16/14/599621614.db2.gz SITWJGQHGGTNTA-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)nnn1C ZINC000822021027 599621613 /nfs/dbraw/zinc/62/16/13/599621613.db2.gz SITWJGQHGGTNTA-UHFFFAOYSA-N -2 3 362.375 -0.437 20 0 FBADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000822162078 606392765 /nfs/dbraw/zinc/39/27/65/606392765.db2.gz XNZDMMGGGSBHSJ-UHFFFAOYSA-N -2 3 373.358 -0.293 20 0 FBADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000822162078 606392763 /nfs/dbraw/zinc/39/27/63/606392763.db2.gz XNZDMMGGGSBHSJ-UHFFFAOYSA-N -2 3 373.358 -0.293 20 0 FBADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000822162215 606392826 /nfs/dbraw/zinc/39/28/26/606392826.db2.gz ZBVGQIRVSBDZOY-UHFFFAOYSA-N -2 3 373.358 -0.293 20 0 FBADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000822162215 606392824 /nfs/dbraw/zinc/39/28/24/606392824.db2.gz ZBVGQIRVSBDZOY-UHFFFAOYSA-N -2 3 373.358 -0.293 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000822222298 606761558 /nfs/dbraw/zinc/76/15/58/606761558.db2.gz BVURACJSMGQHSF-JTQLQIEISA-N -2 3 364.387 -0.494 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000822222298 606761556 /nfs/dbraw/zinc/76/15/56/606761556.db2.gz BVURACJSMGQHSF-JTQLQIEISA-N -2 3 364.387 -0.494 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000822222299 606761417 /nfs/dbraw/zinc/76/14/17/606761417.db2.gz BVURACJSMGQHSF-SNVBAGLBSA-N -2 3 364.387 -0.494 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000822222299 606761415 /nfs/dbraw/zinc/76/14/15/606761415.db2.gz BVURACJSMGQHSF-SNVBAGLBSA-N -2 3 364.387 -0.494 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nnn1C ZINC000822224053 599624815 /nfs/dbraw/zinc/62/48/15/599624815.db2.gz UMWYRVUQQWXIHG-UHFFFAOYSA-N -2 3 362.375 -0.269 20 0 FBADHL Cc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nnn1C ZINC000822224053 599624814 /nfs/dbraw/zinc/62/48/14/599624814.db2.gz UMWYRVUQQWXIHG-UHFFFAOYSA-N -2 3 362.375 -0.269 20 0 FBADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(N)=O ZINC000822267287 606709126 /nfs/dbraw/zinc/70/91/26/606709126.db2.gz QXOWWUGJEKXFEA-UHFFFAOYSA-N -2 3 362.375 -0.192 20 0 FBADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822459521 607216853 /nfs/dbraw/zinc/21/68/53/607216853.db2.gz QVWFTNKZNLOPOE-UHFFFAOYSA-N -2 3 369.349 -0.860 20 0 FBADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822459521 607216852 /nfs/dbraw/zinc/21/68/52/607216852.db2.gz QVWFTNKZNLOPOE-UHFFFAOYSA-N -2 3 369.349 -0.860 20 0 FBADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)cc12 ZINC000822496228 606709373 /nfs/dbraw/zinc/70/93/73/606709373.db2.gz FTNXIJPDSYFDRU-UHFFFAOYSA-N -2 3 374.390 -0.009 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822497090 606406587 /nfs/dbraw/zinc/40/65/87/606406587.db2.gz YAUGQQNUVMPLEC-UHFFFAOYSA-N -2 3 364.391 -0.326 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822497090 606406585 /nfs/dbraw/zinc/40/65/85/606406585.db2.gz YAUGQQNUVMPLEC-UHFFFAOYSA-N -2 3 364.391 -0.326 20 0 FBADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822527801 661090369 /nfs/dbraw/zinc/09/03/69/661090369.db2.gz FFKFIRCTDONWHG-UHFFFAOYSA-N -2 3 363.359 -0.004 20 0 FBADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822527801 661090365 /nfs/dbraw/zinc/09/03/65/661090365.db2.gz FFKFIRCTDONWHG-UHFFFAOYSA-N -2 3 363.359 -0.004 20 0 FBADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528181 661090551 /nfs/dbraw/zinc/09/05/51/661090551.db2.gz WGIYCDSXSJFIDP-UHFFFAOYSA-N -2 3 363.359 -0.004 20 0 FBADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528181 661090549 /nfs/dbraw/zinc/09/05/49/661090549.db2.gz WGIYCDSXSJFIDP-UHFFFAOYSA-N -2 3 363.359 -0.004 20 0 FBADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822528277 606406502 /nfs/dbraw/zinc/40/65/02/606406502.db2.gz ZXCSGNYDBMHZIR-UHFFFAOYSA-N -2 3 351.348 -0.071 20 0 FBADHL Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822528277 606406500 /nfs/dbraw/zinc/40/65/00/606406500.db2.gz ZXCSGNYDBMHZIR-UHFFFAOYSA-N -2 3 351.348 -0.071 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000822622352 606709796 /nfs/dbraw/zinc/70/97/96/606709796.db2.gz BUGYZEDMNDXQEV-UHFFFAOYSA-N -2 3 373.362 -0.623 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000822622696 606709922 /nfs/dbraw/zinc/70/99/22/606709922.db2.gz HEBXFVDYYCJVLJ-UHFFFAOYSA-N -2 3 361.347 -0.017 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 ZINC000822622701 606711465 /nfs/dbraw/zinc/71/14/65/606711465.db2.gz HIOPJPHSSWFTNB-UHFFFAOYSA-N -2 3 374.386 -0.313 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)n1 ZINC000822622948 606711229 /nfs/dbraw/zinc/71/12/29/606711229.db2.gz LLLXHASBNQEWAB-UHFFFAOYSA-N -2 3 374.342 -0.715 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1 ZINC000822623000 606710286 /nfs/dbraw/zinc/71/02/86/606710286.db2.gz NSSPATYGGHWKBI-UHFFFAOYSA-N -2 3 360.359 -0.104 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000822623065 606709915 /nfs/dbraw/zinc/70/99/15/606709915.db2.gz OGCCJTNILLHOOJ-UHFFFAOYSA-N -2 3 373.362 -0.623 20 0 FBADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000822623516 606712081 /nfs/dbraw/zinc/71/20/81/606712081.db2.gz YTKUMARRFVGLKV-UHFFFAOYSA-N -3 3 352.336 -0.562 20 0 FBADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000822645564 606407378 /nfs/dbraw/zinc/40/73/78/606407378.db2.gz DRDBMDVZWGVJQE-JTQLQIEISA-N -2 3 354.392 -0.166 20 0 FBADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000822645564 606407375 /nfs/dbraw/zinc/40/73/75/606407375.db2.gz DRDBMDVZWGVJQE-JTQLQIEISA-N -2 3 354.392 -0.166 20 0 FBADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000822645565 606408183 /nfs/dbraw/zinc/40/81/83/606408183.db2.gz DRDBMDVZWGVJQE-SNVBAGLBSA-N -2 3 354.392 -0.166 20 0 FBADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000822645565 606408181 /nfs/dbraw/zinc/40/81/81/606408181.db2.gz DRDBMDVZWGVJQE-SNVBAGLBSA-N -2 3 354.392 -0.166 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1Cl ZINC000822645795 606408049 /nfs/dbraw/zinc/40/80/49/606408049.db2.gz POBZPQASLNKARP-UHFFFAOYSA-N -2 3 370.782 -0.289 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1Cl ZINC000822645795 606408047 /nfs/dbraw/zinc/40/80/47/606408047.db2.gz POBZPQASLNKARP-UHFFFAOYSA-N -2 3 370.782 -0.289 20 0 FBADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000822655379 606282409 /nfs/dbraw/zinc/28/24/09/606282409.db2.gz GXLPVFXTHZSBLQ-UHFFFAOYSA-N -2 3 369.392 -0.320 20 0 FBADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000822655379 606282408 /nfs/dbraw/zinc/28/24/08/606282408.db2.gz GXLPVFXTHZSBLQ-UHFFFAOYSA-N -2 3 369.392 -0.320 20 0 FBADHL Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C(N)=O ZINC000822684609 607026750 /nfs/dbraw/zinc/02/67/50/607026750.db2.gz DUFZKJHAYHCOKN-UHFFFAOYSA-N -2 3 354.377 -0.439 20 0 FBADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C(N)=O ZINC000822684988 606212214 /nfs/dbraw/zinc/21/22/14/606212214.db2.gz OIPTZZPYQJHLGX-UHFFFAOYSA-N -2 3 363.359 -0.190 20 0 FBADHL Cn1cnnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822704567 606885350 /nfs/dbraw/zinc/88/53/50/606885350.db2.gz NATAJLBOTYVTDE-UHFFFAOYSA-N -2 3 356.318 -0.248 20 0 FBADHL NS(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c(-c2nn[n-]n2)c1 ZINC000822899732 606126592 /nfs/dbraw/zinc/12/65/92/606126592.db2.gz QUSAGCWXUFPQAG-UHFFFAOYSA-N -2 3 365.379 -0.618 20 0 FBADHL NS(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c(-c2nnn[n-]2)c1 ZINC000822899732 606126591 /nfs/dbraw/zinc/12/65/91/606126591.db2.gz QUSAGCWXUFPQAG-UHFFFAOYSA-N -2 3 365.379 -0.618 20 0 FBADHL Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000822904284 606203000 /nfs/dbraw/zinc/20/30/00/606203000.db2.gz UXAGCBYGXZCFLU-UHFFFAOYSA-N -2 3 367.333 -0.612 20 0 FBADHL Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000822904284 606202998 /nfs/dbraw/zinc/20/29/98/606202998.db2.gz UXAGCBYGXZCFLU-UHFFFAOYSA-N -2 3 367.333 -0.612 20 0 FBADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927797 606169682 /nfs/dbraw/zinc/16/96/82/606169682.db2.gz ASJZUYURPNFIEV-AATRIKPKSA-N -2 3 364.387 -0.427 20 0 FBADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927797 606169681 /nfs/dbraw/zinc/16/96/81/606169681.db2.gz ASJZUYURPNFIEV-AATRIKPKSA-N -2 3 364.387 -0.427 20 0 FBADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927798 606169978 /nfs/dbraw/zinc/16/99/78/606169978.db2.gz ASJZUYURPNFIEV-WAYWQWQTSA-N -2 3 364.387 -0.427 20 0 FBADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822927798 606169976 /nfs/dbraw/zinc/16/99/76/606169976.db2.gz ASJZUYURPNFIEV-WAYWQWQTSA-N -2 3 364.387 -0.427 20 0 FBADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822978976 606180564 /nfs/dbraw/zinc/18/05/64/606180564.db2.gz UOHSMLKKHMTRSM-UHFFFAOYSA-N -2 3 366.403 -0.508 20 0 FBADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000822978976 606180563 /nfs/dbraw/zinc/18/05/63/606180563.db2.gz UOHSMLKKHMTRSM-UHFFFAOYSA-N -2 3 366.403 -0.508 20 0 FBADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NC1CC1 ZINC000823005089 606885424 /nfs/dbraw/zinc/88/54/24/606885424.db2.gz BDCSCIAFTFLSGE-UHFFFAOYSA-N -2 3 358.330 -0.298 20 0 FBADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000823005447 606290956 /nfs/dbraw/zinc/29/09/56/606290956.db2.gz RMSXGUNCMPMAMP-UHFFFAOYSA-N -2 3 371.361 -0.831 20 0 FBADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1 ZINC000823005447 606290953 /nfs/dbraw/zinc/29/09/53/606290953.db2.gz RMSXGUNCMPMAMP-UHFFFAOYSA-N -2 3 371.361 -0.831 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823036411 661094060 /nfs/dbraw/zinc/09/40/60/661094060.db2.gz BHMGEFYGINHOJJ-UHFFFAOYSA-N -2 3 364.343 -0.120 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000823037187 606953969 /nfs/dbraw/zinc/95/39/69/606953969.db2.gz SRBBMCMSCNFTLH-UHFFFAOYSA-N -2 3 361.343 -0.459 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823043718 661094129 /nfs/dbraw/zinc/09/41/29/661094129.db2.gz GWAJYWCMCMBUSE-UHFFFAOYSA-N -2 3 364.343 -0.120 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823043718 661094126 /nfs/dbraw/zinc/09/41/26/661094126.db2.gz GWAJYWCMCMBUSE-UHFFFAOYSA-N -2 3 364.343 -0.120 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1cnccn1 ZINC000823044005 606953940 /nfs/dbraw/zinc/95/39/40/606953940.db2.gz OOYDGUJJXMYJDI-UHFFFAOYSA-N -2 3 361.343 -0.459 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1cnccn1 ZINC000823044005 606953939 /nfs/dbraw/zinc/95/39/39/606953939.db2.gz OOYDGUJJXMYJDI-UHFFFAOYSA-N -2 3 361.343 -0.459 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823049540 661093941 /nfs/dbraw/zinc/09/39/41/661093941.db2.gz GFOZKXZJKFHXAQ-UHFFFAOYSA-N -2 3 364.343 -0.120 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823049540 661093937 /nfs/dbraw/zinc/09/39/37/661093937.db2.gz GFOZKXZJKFHXAQ-UHFFFAOYSA-N -2 3 364.343 -0.120 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1cnccn1 ZINC000823050097 606953919 /nfs/dbraw/zinc/95/39/19/606953919.db2.gz QAONXUMCGOKHIG-UHFFFAOYSA-N -2 3 361.343 -0.459 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1cnccn1 ZINC000823050097 606953918 /nfs/dbraw/zinc/95/39/18/606953918.db2.gz QAONXUMCGOKHIG-UHFFFAOYSA-N -2 3 361.343 -0.459 20 0 FBADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000823078163 606180447 /nfs/dbraw/zinc/18/04/47/606180447.db2.gz GYRYCUNXENHYCV-UHFFFAOYSA-N -2 3 352.376 -0.898 20 0 FBADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000823078163 606180446 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/nfs/dbraw/zinc/01/04/90/608010490.db2.gz QEBAJSHYHWRGLI-UHFFFAOYSA-N -2 3 355.376 -0.103 20 0 FBADHL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826157995 608010598 /nfs/dbraw/zinc/01/05/98/608010598.db2.gz VJMVLUVWSVOFHK-UHFFFAOYSA-N -2 3 355.376 -0.103 20 0 FBADHL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826158067 608010463 /nfs/dbraw/zinc/01/04/63/608010463.db2.gz YNRHWJFTEKXXMF-UHFFFAOYSA-N -2 3 359.339 -0.273 20 0 FBADHL COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826160836 607402381 /nfs/dbraw/zinc/40/23/81/607402381.db2.gz IUWMAAMDTJAWRM-UHFFFAOYSA-N -2 3 369.403 -0.102 20 0 FBADHL COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826160836 607402380 /nfs/dbraw/zinc/40/23/80/607402380.db2.gz IUWMAAMDTJAWRM-UHFFFAOYSA-N -2 3 369.403 -0.102 20 0 FBADHL COCCS(=O)(=O)[N-]c1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826162963 607693788 /nfs/dbraw/zinc/69/37/88/607693788.db2.gz AKDODIVMBQFPKJ-UHFFFAOYSA-N -2 3 364.391 -0.434 20 0 FBADHL COCCn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000826163917 607662834 /nfs/dbraw/zinc/66/28/34/607662834.db2.gz QRVNLBLWSIIRBL-UHFFFAOYSA-N -2 3 353.368 -0.756 20 0 FBADHL COCCn1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cn1 ZINC000826164036 607654688 /nfs/dbraw/zinc/65/46/88/607654688.db2.gz WMBORCZJACRQBD-UHFFFAOYSA-N -2 3 356.393 -0.033 20 0 FBADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826164060 607654672 /nfs/dbraw/zinc/65/46/72/607654672.db2.gz XJTVMDZGUYXRNC-UHFFFAOYSA-N -2 3 350.364 -0.095 20 0 FBADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826164060 607654671 /nfs/dbraw/zinc/65/46/71/607654671.db2.gz XJTVMDZGUYXRNC-UHFFFAOYSA-N -2 3 350.364 -0.095 20 0 FBADHL COc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826200971 607629364 /nfs/dbraw/zinc/62/93/64/607629364.db2.gz RCZOMIKHHJSMKW-UHFFFAOYSA-N -2 3 357.330 -0.395 20 0 FBADHL COc1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826200971 607629362 /nfs/dbraw/zinc/62/93/62/607629362.db2.gz RCZOMIKHHJSMKW-UHFFFAOYSA-N -2 3 357.330 -0.395 20 0 FBADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1C(N)=O ZINC000826211576 608307503 /nfs/dbraw/zinc/30/75/03/608307503.db2.gz LCRFYPWAIRUJDF-UHFFFAOYSA-N -2 3 364.347 -0.502 20 0 FBADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826223818 609444413 /nfs/dbraw/zinc/44/44/13/609444413.db2.gz BIIJLYNANVOLMD-UHFFFAOYSA-N -2 3 355.365 -0.330 20 0 FBADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000826223818 609444411 /nfs/dbraw/zinc/44/44/11/609444411.db2.gz BIIJLYNANVOLMD-UHFFFAOYSA-N -2 3 355.365 -0.330 20 0 FBADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826223848 608307526 /nfs/dbraw/zinc/30/75/26/608307526.db2.gz CFNMKRTWCKEYKF-UHFFFAOYSA-N -2 3 369.388 -0.206 20 0 FBADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826223926 608307412 /nfs/dbraw/zinc/30/74/12/608307412.db2.gz GOWTZGNQAQPYAV-UHFFFAOYSA-N -2 3 369.388 -0.206 20 0 FBADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826223954 608307509 /nfs/dbraw/zinc/30/75/09/608307509.db2.gz IQTHZYZDHFBMFT-UHFFFAOYSA-N -2 3 369.388 -0.206 20 0 FBADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000826224219 607704068 /nfs/dbraw/zinc/70/40/68/607704068.db2.gz VCNRBQQZRAOBGG-UHFFFAOYSA-N -2 3 355.365 -0.330 20 0 FBADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000826224219 607704066 /nfs/dbraw/zinc/70/40/66/607704066.db2.gz VCNRBQQZRAOBGG-UHFFFAOYSA-N -2 3 355.365 -0.330 20 0 FBADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000826249673 607401168 /nfs/dbraw/zinc/40/11/68/607401168.db2.gz OCSWRCLUTNHGPC-UHFFFAOYSA-N -2 3 352.376 -0.518 20 0 FBADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)N1CCOCC1 ZINC000826249673 607401167 /nfs/dbraw/zinc/40/11/67/607401167.db2.gz OCSWRCLUTNHGPC-UHFFFAOYSA-N -2 3 352.376 -0.518 20 0 FBADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826255854 608011354 /nfs/dbraw/zinc/01/13/54/608011354.db2.gz MNQCRJYQQQIQLP-JTQLQIEISA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826255854 608011353 /nfs/dbraw/zinc/01/13/53/608011353.db2.gz MNQCRJYQQQIQLP-JTQLQIEISA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826255855 608011360 /nfs/dbraw/zinc/01/13/60/608011360.db2.gz MNQCRJYQQQIQLP-SNVBAGLBSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826255855 608011359 /nfs/dbraw/zinc/01/13/59/608011359.db2.gz MNQCRJYQQQIQLP-SNVBAGLBSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259983 609141411 /nfs/dbraw/zinc/14/14/11/609141411.db2.gz POCSVAYMIFXTLD-UHFFFAOYSA-N -2 3 367.329 -0.443 20 0 FBADHL Cc1cc(C(=O)[N-]N2CC(=O)NC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259983 609141410 /nfs/dbraw/zinc/14/14/10/609141410.db2.gz POCSVAYMIFXTLD-UHFFFAOYSA-N -2 3 367.329 -0.443 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826279330 608011339 /nfs/dbraw/zinc/01/13/39/608011339.db2.gz NFHJDEUKKSFPIU-JTQLQIEISA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000826279330 608011338 /nfs/dbraw/zinc/01/13/38/608011338.db2.gz NFHJDEUKKSFPIU-JTQLQIEISA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826279331 608011384 /nfs/dbraw/zinc/01/13/84/608011384.db2.gz NFHJDEUKKSFPIU-SNVBAGLBSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000826279331 608011383 /nfs/dbraw/zinc/01/13/83/608011383.db2.gz NFHJDEUKKSFPIU-SNVBAGLBSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000826279346 661110051 /nfs/dbraw/zinc/11/00/51/661110051.db2.gz NVGRXFJHEURJER-UHFFFAOYSA-N -2 3 361.387 -0.044 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccn(C)n1 ZINC000826279346 661110048 /nfs/dbraw/zinc/11/00/48/661110048.db2.gz NVGRXFJHEURJER-UHFFFAOYSA-N -2 3 361.387 -0.044 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000826279682 608142930 /nfs/dbraw/zinc/14/29/30/608142930.db2.gz XXHWGIFSFJEDSV-JTQLQIEISA-N -2 3 364.387 -0.399 20 0 FBADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C ZINC000826279682 608142929 /nfs/dbraw/zinc/14/29/29/608142929.db2.gz XXHWGIFSFJEDSV-JTQLQIEISA-N -2 3 364.387 -0.399 20 0 FBADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O ZINC000826279749 609436261 /nfs/dbraw/zinc/43/62/61/609436261.db2.gz AOWSODDHJYAUHD-UHFFFAOYSA-N -2 3 351.348 -0.738 20 0 FBADHL Cc1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC000826300959 608010379 /nfs/dbraw/zinc/01/03/79/608010379.db2.gz MXQRWDSINWNFLT-UHFFFAOYSA-N -2 3 368.419 -0.188 20 0 FBADHL Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826301847 608011485 /nfs/dbraw/zinc/01/14/85/608011485.db2.gz RKGFSPLNJBECGJ-SECBINFHSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826301847 608011484 /nfs/dbraw/zinc/01/14/84/608011484.db2.gz RKGFSPLNJBECGJ-SECBINFHSA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826301848 608011506 /nfs/dbraw/zinc/01/15/06/608011506.db2.gz RKGFSPLNJBECGJ-VIFPVBQESA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826301848 608011505 /nfs/dbraw/zinc/01/15/05/608011505.db2.gz RKGFSPLNJBECGJ-VIFPVBQESA-N -2 3 353.360 -0.351 20 0 FBADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1-c1nn[n-]n1 ZINC000826303733 607534557 /nfs/dbraw/zinc/53/45/57/607534557.db2.gz BZLNACOWZBOMDF-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1-c1nnn[n-]1 ZINC000826303733 607534555 /nfs/dbraw/zinc/53/45/55/607534555.db2.gz BZLNACOWZBOMDF-UHFFFAOYSA-N -2 3 362.375 -0.342 20 0 FBADHL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1-c1nnn[n-]1 ZINC000826322525 661109887 /nfs/dbraw/zinc/10/98/87/661109887.db2.gz QMBWZVBZBXWEAP-UHFFFAOYSA-N -2 3 351.352 -0.864 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826333716 607776608 /nfs/dbraw/zinc/77/66/08/607776608.db2.gz RUPXRKKYQFHGPU-UHFFFAOYSA-N -2 3 350.364 -0.336 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826333716 607776607 /nfs/dbraw/zinc/77/66/07/607776607.db2.gz RUPXRKKYQFHGPU-UHFFFAOYSA-N -2 3 350.364 -0.336 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826333785 661110089 /nfs/dbraw/zinc/11/00/89/661110089.db2.gz VGMJGAJSLRJRQP-UHFFFAOYSA-N -2 3 350.364 -0.336 20 0 FBADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826333785 661110086 /nfs/dbraw/zinc/11/00/86/661110086.db2.gz VGMJGAJSLRJRQP-UHFFFAOYSA-N -2 3 350.364 -0.336 20 0 FBADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc12 ZINC000826334530 607462073 /nfs/dbraw/zinc/46/20/73/607462073.db2.gz YTOOBKCPTRFLJJ-UHFFFAOYSA-N -2 3 360.363 -0.019 20 0 FBADHL Cn1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2oc1=O ZINC000826354636 608305656 /nfs/dbraw/zinc/30/56/56/608305656.db2.gz NYUUUNUZMHXJMK-UHFFFAOYSA-N -2 3 362.331 -0.165 20 0 FBADHL Cn1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1 ZINC000826361794 661110353 /nfs/dbraw/zinc/11/03/53/661110353.db2.gz PBCGLNKVDYLSAL-UHFFFAOYSA-N -2 3 356.318 -0.248 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1 ZINC000826362831 661111104 /nfs/dbraw/zinc/11/11/04/661111104.db2.gz KIXLORHFFOTEAC-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1 ZINC000826362831 661111102 /nfs/dbraw/zinc/11/11/02/661111102.db2.gz KIXLORHFFOTEAC-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362841 661111097 /nfs/dbraw/zinc/11/10/97/661111097.db2.gz KZSXHDSXESUFNY-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362841 661111095 /nfs/dbraw/zinc/11/10/95/661111095.db2.gz KZSXHDSXESUFNY-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826363026 661111147 /nfs/dbraw/zinc/11/11/47/661111147.db2.gz TUHQKMPUFPJWAF-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826363026 661111144 /nfs/dbraw/zinc/11/11/44/661111144.db2.gz TUHQKMPUFPJWAF-UHFFFAOYSA-N -2 3 361.387 -0.211 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1Cl ZINC000826364665 661111181 /nfs/dbraw/zinc/11/11/81/661111181.db2.gz FTFVDPUJVNTARO-UHFFFAOYSA-N -2 3 356.755 -0.300 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1Cl ZINC000826364665 661111179 /nfs/dbraw/zinc/11/11/79/661111179.db2.gz FTFVDPUJVNTARO-UHFFFAOYSA-N -2 3 356.755 -0.300 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1Cl ZINC000826364911 607777722 /nfs/dbraw/zinc/77/77/22/607777722.db2.gz QSOOOUKIHNQFJR-UHFFFAOYSA-N -2 3 356.755 -0.300 20 0 FBADHL Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1Cl ZINC000826364911 607777721 /nfs/dbraw/zinc/77/77/21/607777721.db2.gz QSOOOUKIHNQFJR-UHFFFAOYSA-N -2 3 356.755 -0.300 20 0 FBADHL Cn1cnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826364953 608564623 /nfs/dbraw/zinc/56/46/23/608564623.db2.gz UFEDBGQTUQIKHY-UHFFFAOYSA-N -2 3 356.318 -0.248 20 0 FBADHL Cn1nnnc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826367045 608248116 /nfs/dbraw/zinc/24/81/16/608248116.db2.gz JJECRQLEGAYKBX-UHFFFAOYSA-N -2 3 371.333 -0.811 20 0 FBADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826367207 608307460 /nfs/dbraw/zinc/30/74/60/608307460.db2.gz PNMPARPMSOVZNJ-UHFFFAOYSA-N -2 3 373.362 -0.419 20 0 FBADHL NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000826389567 661111163 /nfs/dbraw/zinc/11/11/63/661111163.db2.gz AYNNASJEXGYDOH-UHFFFAOYSA-N -2 3 358.330 -0.169 20 0 FBADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826393140 607617374 /nfs/dbraw/zinc/61/73/74/607617374.db2.gz DAXWVTOHEYZOBX-UHFFFAOYSA-N -2 3 362.327 -0.323 20 0 FBADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826393140 607617372 /nfs/dbraw/zinc/61/73/72/607617372.db2.gz DAXWVTOHEYZOBX-UHFFFAOYSA-N -2 3 362.327 -0.323 20 0 FBADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826393197 661111039 /nfs/dbraw/zinc/11/10/39/661111039.db2.gz HNZLHNQEWXNLEK-UHFFFAOYSA-N -2 3 367.372 -0.526 20 0 FBADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000826393197 661111035 /nfs/dbraw/zinc/11/10/35/661111035.db2.gz HNZLHNQEWXNLEK-UHFFFAOYSA-N -2 3 367.372 -0.526 20 0 FBADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826393342 607617247 /nfs/dbraw/zinc/61/72/47/607617247.db2.gz NXHYPNGZLHHOLY-UHFFFAOYSA-N -2 3 362.327 -0.323 20 0 FBADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826393342 607617245 /nfs/dbraw/zinc/61/72/45/607617245.db2.gz NXHYPNGZLHHOLY-UHFFFAOYSA-N -2 3 362.327 -0.323 20 0 FBADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000826393570 607778224 /nfs/dbraw/zinc/77/82/24/607778224.db2.gz YHYFFADEEOMUMC-UHFFFAOYSA-N -2 3 367.372 -0.526 20 0 FBADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000826393570 607778223 /nfs/dbraw/zinc/77/82/23/607778223.db2.gz YHYFFADEEOMUMC-UHFFFAOYSA-N -2 3 367.372 -0.526 20 0 FBADHL Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000826394962 608443472 /nfs/dbraw/zinc/44/34/72/608443472.db2.gz GRQKEPJAPJLJLH-UHFFFAOYSA-N -2 3 368.317 -0.185 20 0 FBADHL Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000826394962 608443470 /nfs/dbraw/zinc/44/34/70/608443470.db2.gz GRQKEPJAPJLJLH-UHFFFAOYSA-N -2 3 368.317 -0.185 20 0 FBADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826395053 609262740 /nfs/dbraw/zinc/26/27/40/609262740.db2.gz LCMLKYGESGSZGV-UHFFFAOYSA-N -2 3 361.343 -0.133 20 0 FBADHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826395246 608307340 /nfs/dbraw/zinc/30/73/40/608307340.db2.gz TVQFCJJVWPBJJQ-UHFFFAOYSA-N -2 3 370.376 -0.962 20 0 FBADHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826395313 608307498 /nfs/dbraw/zinc/30/74/98/608307498.db2.gz WHHIDQAEYJGGAZ-UHFFFAOYSA-N -2 3 370.376 -0.962 20 0 FBADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NCC1CC1 ZINC000826412585 609334094 /nfs/dbraw/zinc/33/40/94/609334094.db2.gz UOLNYTQMVGEZFA-UHFFFAOYSA-N -2 3 372.357 -0.051 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826417077 609162268 /nfs/dbraw/zinc/16/22/68/609162268.db2.gz CSKVYDKUJFYCFL-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826417078 609161962 /nfs/dbraw/zinc/16/19/62/609161962.db2.gz CSKVYDKUJFYCFL-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826417157 609366535 /nfs/dbraw/zinc/36/65/35/609366535.db2.gz GITJQUWFOMXGJW-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826417158 609366804 /nfs/dbraw/zinc/36/68/04/609366804.db2.gz GITJQUWFOMXGJW-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826417198 608076432 /nfs/dbraw/zinc/07/64/32/608076432.db2.gz HWOXKPLZHBLZAM-JTQLQIEISA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826417199 608076466 /nfs/dbraw/zinc/07/64/66/608076466.db2.gz HWOXKPLZHBLZAM-SNVBAGLBSA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826418644 609366788 /nfs/dbraw/zinc/36/67/88/609366788.db2.gz PRJHMLYOQJQFSZ-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826418644 609366785 /nfs/dbraw/zinc/36/67/85/609366785.db2.gz PRJHMLYOQJQFSZ-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826418645 609366346 /nfs/dbraw/zinc/36/63/46/609366346.db2.gz PRJHMLYOQJQFSZ-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826418645 609366343 /nfs/dbraw/zinc/36/63/43/609366343.db2.gz PRJHMLYOQJQFSZ-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826418648 609162160 /nfs/dbraw/zinc/16/21/60/609162160.db2.gz PSMLYEFBJWFGFJ-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826418648 609162159 /nfs/dbraw/zinc/16/21/59/609162159.db2.gz PSMLYEFBJWFGFJ-GFCCVEGCSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826418649 609162043 /nfs/dbraw/zinc/16/20/43/609162043.db2.gz PSMLYEFBJWFGFJ-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826418649 609162041 /nfs/dbraw/zinc/16/20/41/609162041.db2.gz PSMLYEFBJWFGFJ-LBPRGKRZSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826418674 608076447 /nfs/dbraw/zinc/07/64/47/608076447.db2.gz QVKOKUDLSJYBLO-JTQLQIEISA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826418674 608076446 /nfs/dbraw/zinc/07/64/46/608076446.db2.gz QVKOKUDLSJYBLO-JTQLQIEISA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826418675 608076441 /nfs/dbraw/zinc/07/64/41/608076441.db2.gz QVKOKUDLSJYBLO-SNVBAGLBSA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826418675 608076440 /nfs/dbraw/zinc/07/64/40/608076440.db2.gz QVKOKUDLSJYBLO-SNVBAGLBSA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826419150 609161848 /nfs/dbraw/zinc/16/18/48/609161848.db2.gz LPKMOYMCXFXJEC-JTQLQIEISA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826419150 609161847 /nfs/dbraw/zinc/16/18/47/609161847.db2.gz LPKMOYMCXFXJEC-JTQLQIEISA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826419151 609162142 /nfs/dbraw/zinc/16/21/42/609162142.db2.gz LPKMOYMCXFXJEC-SNVBAGLBSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826419151 609162140 /nfs/dbraw/zinc/16/21/40/609162140.db2.gz LPKMOYMCXFXJEC-SNVBAGLBSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826419251 608076464 /nfs/dbraw/zinc/07/64/64/608076464.db2.gz PPDVNYHTCNAFTO-JTQLQIEISA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826419251 608076463 /nfs/dbraw/zinc/07/64/63/608076463.db2.gz PPDVNYHTCNAFTO-JTQLQIEISA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826419252 608076430 /nfs/dbraw/zinc/07/64/30/608076430.db2.gz PPDVNYHTCNAFTO-SNVBAGLBSA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826419252 608076429 /nfs/dbraw/zinc/07/64/29/608076429.db2.gz PPDVNYHTCNAFTO-SNVBAGLBSA-N -2 3 367.387 -0.272 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826419347 609366916 /nfs/dbraw/zinc/36/69/16/609366916.db2.gz SYIRBZXBKKCESB-JTQLQIEISA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826419347 609366913 /nfs/dbraw/zinc/36/69/13/609366913.db2.gz SYIRBZXBKKCESB-JTQLQIEISA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826419348 609366627 /nfs/dbraw/zinc/36/66/27/609366627.db2.gz SYIRBZXBKKCESB-SNVBAGLBSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826419348 609366626 /nfs/dbraw/zinc/36/66/26/609366626.db2.gz SYIRBZXBKKCESB-SNVBAGLBSA-N -2 3 367.387 -0.130 20 0 FBADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826422274 608076652 /nfs/dbraw/zinc/07/66/52/608076652.db2.gz SKNXDWHRIASARQ-LLVKDONJSA-N -2 3 351.388 -0.108 20 0 FBADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826422274 608076651 /nfs/dbraw/zinc/07/66/51/608076651.db2.gz SKNXDWHRIASARQ-LLVKDONJSA-N -2 3 351.388 -0.108 20 0 FBADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826422275 608076573 /nfs/dbraw/zinc/07/65/73/608076573.db2.gz SKNXDWHRIASARQ-NSHDSACASA-N -2 3 351.388 -0.108 20 0 FBADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826422275 608076572 /nfs/dbraw/zinc/07/65/72/608076572.db2.gz SKNXDWHRIASARQ-NSHDSACASA-N -2 3 351.388 -0.108 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826423938 607949079 /nfs/dbraw/zinc/94/90/79/607949079.db2.gz OEJWQCMWLIYOAX-UHFFFAOYSA-N -2 3 363.341 -0.159 20 0 FBADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826423938 607949078 /nfs/dbraw/zinc/94/90/78/607949078.db2.gz OEJWQCMWLIYOAX-UHFFFAOYSA-N -2 3 363.341 -0.159 20 0 FBADHL O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000826461112 608011275 /nfs/dbraw/zinc/01/12/75/608011275.db2.gz GOEZZSAOBXCGPH-SECBINFHSA-N -2 3 373.778 -0.006 20 0 FBADHL O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000826461112 608011274 /nfs/dbraw/zinc/01/12/74/608011274.db2.gz GOEZZSAOBXCGPH-SECBINFHSA-N -2 3 373.778 -0.006 20 0 FBADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000826461113 608011432 /nfs/dbraw/zinc/01/14/32/608011432.db2.gz GOEZZSAOBXCGPH-VIFPVBQESA-N -2 3 373.778 -0.006 20 0 FBADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000826461113 608011431 /nfs/dbraw/zinc/01/14/31/608011431.db2.gz 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O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000826461265 608011463 /nfs/dbraw/zinc/01/14/63/608011463.db2.gz MZPCTNMWCFJOBN-NSHDSACASA-N -2 3 353.360 -0.518 20 0 FBADHL O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000826461305 608011455 /nfs/dbraw/zinc/01/14/55/608011455.db2.gz OWGQZVZFOOKCQW-MRVPVSSYSA-N -2 3 373.778 -0.006 20 0 FBADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000826461306 608011321 /nfs/dbraw/zinc/01/13/21/608011321.db2.gz OWGQZVZFOOKCQW-QMMMGPOBSA-N -2 3 373.778 -0.006 20 0 FBADHL O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000826461358 608011446 /nfs/dbraw/zinc/01/14/46/608011446.db2.gz RAPMRIOBYVINJR-JTQLQIEISA-N -2 3 357.323 -0.520 20 0 FBADHL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000826461359 608011260 /nfs/dbraw/zinc/01/12/60/608011260.db2.gz RAPMRIOBYVINJR-SNVBAGLBSA-N -2 3 357.323 -0.520 20 0 FBADHL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000826461384 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O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1cc(=O)[nH][n-]1 ZINC000826478099 608606511 /nfs/dbraw/zinc/60/65/11/608606511.db2.gz UJOXSDMPQWBPBR-UHFFFAOYSA-N -2 3 370.373 -0.056 20 0 FBADHL O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1cc(=O)[nH][n-]1 ZINC000826479438 608192656 /nfs/dbraw/zinc/19/26/56/608192656.db2.gz YOQAJAIUTDEFLW-UHFFFAOYSA-N -2 3 351.330 -0.251 20 0 FBADHL O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1cc(=O)[nH][n-]1 ZINC000826479438 608192654 /nfs/dbraw/zinc/19/26/54/608192654.db2.gz YOQAJAIUTDEFLW-UHFFFAOYSA-N -2 3 351.330 -0.251 20 0 FBADHL O=C1COc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2N1 ZINC000826481718 608307078 /nfs/dbraw/zinc/30/70/78/608307078.db2.gz GLNKJJQJCFYIPZ-UHFFFAOYSA-N -2 3 362.331 -0.279 20 0 FBADHL O=C1NCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000826482753 608307046 /nfs/dbraw/zinc/30/70/46/608307046.db2.gz PFVXXCXRFDRIFP-UHFFFAOYSA-N -2 3 360.359 -0.324 20 0 FBADHL O=S(=O)([N-]CC1(CO)COC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490382 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C[C@H]1[C@H](NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001154319127 843789371 /nfs/dbraw/zinc/78/93/71/843789371.db2.gz RAJBKQLOCNHVHM-CDUCUWFYSA-N -2 3 368.327 -0.827 20 0 FBADHL C[C@H]1[C@H](NC(=O)c2ccc3c(=O)[nH][n-]c(=O)c3c2)C(=O)N1S(=O)(=O)[O-] ZINC001154319127 843789362 /nfs/dbraw/zinc/78/93/62/843789362.db2.gz RAJBKQLOCNHVHM-CDUCUWFYSA-N -2 3 368.327 -0.827 20 0 FBADHL Nc1nc(=O)c2sc(=O)[n-]c2n1-c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001163048576 843940265 /nfs/dbraw/zinc/94/02/65/843940265.db2.gz STHICYMGIUGDPN-UHFFFAOYSA-N -2 3 365.352 -0.195 20 0 FBADHL COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167861639 836094728 /nfs/dbraw/zinc/09/47/28/836094728.db2.gz UWXIDZXQGYHBGX-WKEGUHRASA-N -2 3 354.348 -0.311 20 0 FBADHL COC(=O)c1nc2ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)[n-]c-2n1 ZINC001167862506 836095530 /nfs/dbraw/zinc/09/55/30/836095530.db2.gz WVWBWRDBVVUMGB-XNCJUZBTSA-N -2 3 355.332 -0.442 20 0 FBADHL COC(=O)c1nc2nc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)ccc2[n-]1 ZINC001167862506 836095522 /nfs/dbraw/zinc/09/55/22/836095522.db2.gz WVWBWRDBVVUMGB-XNCJUZBTSA-N -2 3 355.332 -0.442 20 0 FBADHL COC(=O)c1nc2ccc(N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)nc2[n-]1 ZINC001167862506 836095512 /nfs/dbraw/zinc/09/55/12/836095512.db2.gz WVWBWRDBVVUMGB-XNCJUZBTSA-N -2 3 355.332 -0.442 20 0 FBADHL Cc1cc([N-]S(=O)(=O)c2ccc(-n3[n-]c(=O)nc3CN)nc2)no1 ZINC001168760181 837772250 /nfs/dbraw/zinc/77/22/50/837772250.db2.gz BDDBFTVSAWAXGH-UHFFFAOYSA-N -2 3 351.348 -0.076 20 0 FBADHL O=C(c1nc[n-]c(=O)c1Br)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170383225 839491875 /nfs/dbraw/zinc/49/18/75/839491875.db2.gz MPONWQYLIBYTQH-RXMQYKEDSA-N -2 3 356.140 -0.329 20 0 FBADHL O=C(c1nc[n-]c(=O)c1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC001170383226 839492221 /nfs/dbraw/zinc/49/22/21/839492221.db2.gz MPONWQYLIBYTQH-YFKPBYRVSA-N -2 3 356.140 -0.329 20 0 FBADHL O=C(CN1CCN(c2ncccn2)CC1)NCCCCP(=O)([O-])[O-] ZINC001176985317 840307149 /nfs/dbraw/zinc/30/71/49/840307149.db2.gz VKWOAKYCOSPDNN-UHFFFAOYSA-N -2 3 357.351 -0.327 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)o1 ZINC001177866468 840324479 /nfs/dbraw/zinc/32/44/79/840324479.db2.gz LYYWZOFDYAKXTA-SECBINFHSA-N -2 3 354.392 -0.204 20 0 FBADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)o1 ZINC001177866469 840323821 /nfs/dbraw/zinc/32/38/21/840323821.db2.gz LYYWZOFDYAKXTA-VIFPVBQESA-N -2 3 354.392 -0.204 20 0 FBADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]CCOCCN1C(=O)C=CC1=O ZINC001180176599 840372787 /nfs/dbraw/zinc/37/27/87/840372787.db2.gz IFXFECZWAZWAJZ-UHFFFAOYSA-N -2 3 356.228 -0.601 20 0 FBADHL N=C(NC(=O)CNC(=O)c1ccc([O-])cc1)SCCS(=O)(=O)[O-] ZINC001182972840 840444222 /nfs/dbraw/zinc/44/42/22/840444222.db2.gz HUBWGMYETCBFDQ-UHFFFAOYSA-N -2 3 361.401 -0.206 20 0 FBADHL CN(C)c1nc(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c(N=O)c(=O)[n-]1 ZINC001183653187 840459412 /nfs/dbraw/zinc/45/94/12/840459412.db2.gz BEADYNBTTUBFHP-UHFFFAOYSA-N -2 3 353.270 -0.314 20 0 FBADHL O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1nc[n-]c(=O)c1Br ZINC001183654918 840459335 /nfs/dbraw/zinc/45/93/35/840459335.db2.gz QCAQMLMEQWKAIJ-UHFFFAOYSA-N -2 3 360.099 -0.015 20 0 FBADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c1 ZINC001183660247 840461916 /nfs/dbraw/zinc/46/19/16/840461916.db2.gz CHAGAAYQNYZYPF-UHFFFAOYSA-N -2 3 372.334 -0.660 20 0 FBADHL O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001183660692 840462473 /nfs/dbraw/zinc/46/24/73/840462473.db2.gz KHHKIEOSTAJKDX-UHFFFAOYSA-N -2 3 368.302 -0.841 20 0 FBADHL C[C@H]1[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001184889594 840483993 /nfs/dbraw/zinc/48/39/93/840483993.db2.gz QKRCQBYFYYUVKL-FSPLSTOPSA-N -2 3 355.781 -0.585 20 0 FBADHL C[C@H]1[C@H]([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)C(=O)N1S(=O)(=O)[O-] ZINC001185152861 840488984 /nfs/dbraw/zinc/48/89/84/840488984.db2.gz HGFOHSDRWCGZOC-WKEGUHRASA-N -2 3 370.355 -0.214 20 0 FBADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)nn1C ZINC001185565804 840495615 /nfs/dbraw/zinc/49/56/15/840495615.db2.gz DXODCWJSWISCMJ-UHFFFAOYSA-N -2 3 362.375 -0.192 20 0 FBADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)nn1C ZINC001185565804 840495611 /nfs/dbraw/zinc/49/56/11/840495611.db2.gz DXODCWJSWISCMJ-UHFFFAOYSA-N -2 3 362.375 -0.192 20 0 FBADHL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573240 840496429 /nfs/dbraw/zinc/49/64/29/840496429.db2.gz LDDOFOIUUCWQRA-UHFFFAOYSA-N -2 3 360.359 -0.183 20 0 FBADHL CNC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185573240 840496421 /nfs/dbraw/zinc/49/64/21/840496421.db2.gz LDDOFOIUUCWQRA-UHFFFAOYSA-N -2 3 360.359 -0.183 20 0 FBADHL O=C([N-]CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001185622793 840500998 /nfs/dbraw/zinc/50/09/98/840500998.db2.gz RAIKMQHVKNNXQE-UHFFFAOYSA-N -2 3 364.309 -0.177 20 0 FBADHL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623035 840500724 /nfs/dbraw/zinc/50/07/24/840500724.db2.gz WIBXBHBCADNPBZ-JTQLQIEISA-N -2 3 369.359 -0.449 20 0 FBADHL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623035 840500718 /nfs/dbraw/zinc/50/07/18/840500718.db2.gz WIBXBHBCADNPBZ-JTQLQIEISA-N -2 3 369.359 -0.449 20 0 FBADHL CN(CC(=O)Nc1nnc(Br)s1)C(N)=NP(=O)([O-])[O-] ZINC001185654755 840499652 /nfs/dbraw/zinc/49/96/52/840499652.db2.gz UEIACVJHMQQINB-UHFFFAOYSA-N -2 3 373.129 -0.212 20 0 FBADHL COC(=O)c1ccc(OC)c(S(=O)(=O)NCCP(=O)([O-])[O-])c1 ZINC001186584010 840522558 /nfs/dbraw/zinc/52/25/58/840522558.db2.gz DYKTYKIOGYPBTB-UHFFFAOYSA-N -2 3 353.289 -0.062 20 0 FBADHL NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC001188328289 840617768 /nfs/dbraw/zinc/61/77/68/840617768.db2.gz GPBCHKXHRCZHRP-UHFFFAOYSA-N -2 3 360.735 -0.001 20 0 FBADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188542345 840637396 /nfs/dbraw/zinc/63/73/96/840637396.db2.gz DZYICOGLELMSNS-UHFFFAOYSA-N -2 3 351.321 -0.626 20 0 FBADHL Cc1cccc([O-])c1C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001188639520 840640810 /nfs/dbraw/zinc/64/08/10/840640810.db2.gz ZYCUWVIPMDHGTP-UHFFFAOYSA-N -2 3 355.332 -0.589 20 0 FBADHL C[C@H]1[C@H]([N-]S(=O)(=O)Cc2cccc(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001189472487 840682077 /nfs/dbraw/zinc/68/20/77/840682077.db2.gz RVPDKXHTYPHHTK-WKEGUHRASA-N -2 3 370.355 -0.214 20 0 FBADHL C[C@H]1[C@H]([N-]S(=O)(=O)Cc2cc(F)ccc2F)C(=O)N1S(=O)(=O)[O-] ZINC001189705921 840694617 /nfs/dbraw/zinc/69/46/17/840694617.db2.gz IFHPLSXJEOLDOB-WKEGUHRASA-N -2 3 370.355 -0.214 20 0 FBADHL C[C@H]1[C@H]([N-]S(=O)(=O)Cc2ccc(F)cc2F)C(=O)N1S(=O)(=O)[O-] ZINC001189842433 840702212 /nfs/dbraw/zinc/70/22/12/840702212.db2.gz GHCNWOXTKHMLLS-WKEGUHRASA-N -2 3 370.355 -0.214 20 0 FBADHL O=C([O-])c1cc(C(=O)N=c2ncnc3[nH][n-]cc2-3)cc(S(=O)(=O)[O-])c1 ZINC001189915161 840703315 /nfs/dbraw/zinc/70/33/15/840703315.db2.gz UZZASAXHLCKHDI-UHFFFAOYSA-N -3 3 363.311 -0.076 20 0 FBADHL O=C([O-])c1cc(C(=O)NCCCc2c[n-][nH]c2=O)cc(S(=O)(=O)[O-])c1 ZINC001189932475 840706247 /nfs/dbraw/zinc/70/62/47/840706247.db2.gz CDJMCLFNGKXCMZ-MRVPVSSYSA-N -3 3 369.355 -0.127 20 0 FBADHL O=C([O-])c1cc(C(=O)NCCCc2c[n-][nH]c2=O)cc(S(=O)(=O)[O-])c1 ZINC001189932480 840706269 /nfs/dbraw/zinc/70/62/69/840706269.db2.gz CDJMCLFNGKXCMZ-QMMMGPOBSA-N -3 3 369.355 -0.127 20 0 FBADHL CN1CCC(CO)(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1 ZINC001189941266 840707705 /nfs/dbraw/zinc/70/77/05/840707705.db2.gz HAAPXFCVURMEJA-UHFFFAOYSA-N -2 3 372.399 -0.182 20 0 FBADHL COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190116530 840717401 /nfs/dbraw/zinc/71/74/01/840717401.db2.gz CSCHPIWQEFUGBA-QMMMGPOBSA-N -2 3 350.324 -0.086 20 0 FBADHL COc1cc([O-])c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(OC)c1 ZINC001190145730 840715890 /nfs/dbraw/zinc/71/58/90/840715890.db2.gz RDYRYOIVWLWCRY-KGFZYKRKSA-N -2 3 360.344 -0.459 20 0 FBADHL CCOC(=O)CC[C@H](NC(=O)NCCP(=O)([O-])[O-])C(=O)OCC ZINC001190486701 840735804 /nfs/dbraw/zinc/73/58/04/840735804.db2.gz JJFPVZNMYAUOHI-VIFPVBQESA-N -2 3 354.296 -0.262 20 0 FBADHL NS(=O)(=O)c1cc(C(=O)N=c2ncnc3[nH][n-]cc2-3)c([O-])cc1Cl ZINC001191006770 840782018 /nfs/dbraw/zinc/78/20/18/840782018.db2.gz BVHQTBKYEXQTGS-UHFFFAOYSA-N -2 3 368.762 -0.015 20 0 FBADHL NS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)c([O-])cc1Cl ZINC001191035038 840786390 /nfs/dbraw/zinc/78/63/90/840786390.db2.gz BZEUDQSPOBAAEA-SSDOTTSWSA-N -2 3 374.806 -0.065 20 0 FBADHL NS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)c([O-])cc1Cl ZINC001191035041 840786374 /nfs/dbraw/zinc/78/63/74/840786374.db2.gz BZEUDQSPOBAAEA-ZETCQYMHSA-N -2 3 374.806 -0.065 20 0 FBADHL NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)no1 ZINC001192155697 840899983 /nfs/dbraw/zinc/89/99/83/840899983.db2.gz HHGOKTGYSKHUPZ-UHFFFAOYSA-N -2 3 354.344 -0.336 20 0 FBADHL NC(=O)C([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC001192438764 840931595 /nfs/dbraw/zinc/93/15/95/840931595.db2.gz 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