smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1ccc(-n2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)n2)cc1 ZINC000770858577 1079041430 /nfs/dbraw/zinc/04/14/30/1079041430.db2.gz VEPAHBOEDKDBQD-UHFFFAOYSA-N 0 2 413.390 2.467 20 5 HEBDLN Cc1c([N+](=O)[O-])cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000771746622 1079478331 /nfs/dbraw/zinc/47/83/31/1079478331.db2.gz WJDCQOSMXHHZSI-UHFFFAOYSA-N 0 2 412.362 2.439 20 5 HEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1N1CCOC1=O ZINC000743268624 1077019944 /nfs/dbraw/zinc/01/99/44/1077019944.db2.gz BGFBQDOMWUJOJU-UHFFFAOYSA-N 0 2 423.403 2.369 20 5 HEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000785510329 1080058688 /nfs/dbraw/zinc/05/86/88/1080058688.db2.gz YCOBYYMSPLXFQK-GFCCVEGCSA-N 0 2 424.431 2.189 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)cs1 ZINC000768862007 1080843588 /nfs/dbraw/zinc/84/35/88/1080843588.db2.gz RWLUWDONEYEHPW-UHFFFAOYSA-N 0 2 417.490 2.145 20 5 HEBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CO)C1 ZINC000739898895 1079326517 /nfs/dbraw/zinc/32/65/17/1079326517.db2.gz PVPVAHJVFYCMFJ-ZDUSSCGKSA-N 0 2 407.448 2.223 20 5 HEBDLN CCNC(=O)COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000742027242 1076723193 /nfs/dbraw/zinc/72/31/93/1076723193.db2.gz NMVKOTLRUIEQKE-UHFFFAOYSA-N 0 2 411.411 2.358 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000742032094 1076726749 /nfs/dbraw/zinc/72/67/49/1076726749.db2.gz LGWRLBODIUEFLN-LBPRGKRZSA-N 0 2 421.406 2.048 20 5 HEBDLN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc21 ZINC000742231307 1076802407 /nfs/dbraw/zinc/80/24/07/1076802407.db2.gz QOPAZKISGGNNDT-UHFFFAOYSA-N 0 2 420.447 2.496 20 5 HEBDLN COC(=O)c1cc(NS(=O)(=O)c2cnc(Cl)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000767466640 1079868513 /nfs/dbraw/zinc/86/85/13/1079868513.db2.gz MMZROXSOSAGABQ-UHFFFAOYSA-N 0 2 401.784 2.239 20 5 HEBDLN COCCOC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000785509911 1080058567 /nfs/dbraw/zinc/05/85/67/1080058567.db2.gz UPWLNJZZRRVGKU-UHFFFAOYSA-N 0 2 410.404 2.207 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786775953 1080817660 /nfs/dbraw/zinc/81/76/60/1080817660.db2.gz HXEZLJLMDJGOAB-LBPRGKRZSA-N 0 2 416.312 2.391 20 5 HEBDLN COC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000768890377 1080835079 /nfs/dbraw/zinc/83/50/79/1080835079.db2.gz WGXDFIFEEDHVEY-UHFFFAOYSA-N 0 2 400.390 2.030 20 5 HEBDLN Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000768862618 1080842885 /nfs/dbraw/zinc/84/28/85/1080842885.db2.gz YHZXUCAPXKILNO-UHFFFAOYSA-N 0 2 419.506 2.324 20 5 HEBDLN COCCn1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769635536 1081155166 /nfs/dbraw/zinc/15/51/66/1081155166.db2.gz FRBFXKCXTMTHIP-UHFFFAOYSA-N 0 2 405.230 2.001 20 5 HEBDLN Cc1nnnn1-c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1F ZINC000742029961 1076725836 /nfs/dbraw/zinc/72/58/36/1076725836.db2.gz XOQOVYNPCBITME-UHFFFAOYSA-N 0 2 410.362 2.266 20 5 HEBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H](O)C1 ZINC000768524106 1080609822 /nfs/dbraw/zinc/60/98/22/1080609822.db2.gz FYJBRRPFPGUJLE-BLLLJJGKSA-N 0 2 407.448 2.221 20 5 HEBDLN COc1ccccc1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000768799316 1080803365 /nfs/dbraw/zinc/80/33/65/1080803365.db2.gz TVBDSDKTJLVNLV-HNNXBMFYSA-N 0 2 408.461 2.466 20 5 HEBDLN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768864733 1080823654 /nfs/dbraw/zinc/82/36/54/1080823654.db2.gz SJLBOUUKENZNHS-UHFFFAOYSA-N 0 2 419.506 2.488 20 5 HEBDLN CN1C(=O)COc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc21 ZINC000766368831 1078926488 /nfs/dbraw/zinc/92/64/88/1078926488.db2.gz INVZKOZOWMYYDK-UHFFFAOYSA-N 0 2 414.399 2.299 20 5 HEBDLN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000771571281 1079389183 /nfs/dbraw/zinc/38/91/83/1079389183.db2.gz QZQVXIHURJZONI-UHFFFAOYSA-N 0 2 401.354 2.126 20 5 HEBDLN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000771779879 1079501756 /nfs/dbraw/zinc/50/17/56/1079501756.db2.gz IIWFNENQRVHELW-HNNXBMFYSA-N 0 2 400.359 2.374 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1[N+](=O)[O-] ZINC000742029024 1076725129 /nfs/dbraw/zinc/72/51/29/1076725129.db2.gz VACYTZZSRXXXTR-UHFFFAOYSA-N 0 2 418.406 2.499 20 5 HEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786766235 1080808242 /nfs/dbraw/zinc/80/82/42/1080808242.db2.gz NUPCHCPHCYSOKK-ZDUSSCGKSA-N 0 2 405.329 2.088 20 5 HEBDLN Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1S(=O)(=O)NC1CC1 ZINC000768886385 1080832649 /nfs/dbraw/zinc/83/26/49/1080832649.db2.gz CMPXCWRXIOBSDL-UHFFFAOYSA-N 0 2 417.490 2.206 20 5 HEBDLN CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699895 939189187 /nfs/dbraw/zinc/18/91/87/939189187.db2.gz VXRXFXLKNIESTR-DNVCBOLYSA-N 0 2 402.407 2.169 20 5 HEBDLN CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(Cl)s1 ZINC000770632654 1078906016 /nfs/dbraw/zinc/90/60/16/1078906016.db2.gz DJKNFQPOXPXFSR-UHFFFAOYSA-N 0 2 411.870 2.096 20 5 HEBDLN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc21 ZINC000742231532 1076802455 /nfs/dbraw/zinc/80/24/55/1076802455.db2.gz YWYQJLONVOKIPL-UHFFFAOYSA-N 0 2 420.447 2.496 20 5 HEBDLN O=C(OCCC1OCCO1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000768507318 1080596884 /nfs/dbraw/zinc/59/68/84/1080596884.db2.gz BCEUFSZUMARFST-UHFFFAOYSA-N 0 2 422.415 2.315 20 5 HEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786778229 1080819156 /nfs/dbraw/zinc/81/91/56/1080819156.db2.gz RCDVSVJFHHRIEV-LBPRGKRZSA-N 0 2 405.329 2.088 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742028578 1076723460 /nfs/dbraw/zinc/72/34/60/1076723460.db2.gz TYXCLLJFDBXSCH-UHFFFAOYSA-N 0 2 423.831 2.144 20 5 HEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000743263558 1077017595 /nfs/dbraw/zinc/01/75/95/1077017595.db2.gz JJPBNSKYRNWMAY-UHFFFAOYSA-N 0 2 406.420 2.324 20 5 HEBDLN COC(=O)CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)c1 ZINC000786099548 1080394100 /nfs/dbraw/zinc/39/41/00/1080394100.db2.gz QECTUYHKYNXBOO-UHFFFAOYSA-N 0 2 422.415 2.288 20 5 HEBDLN O=C(NC1CCOCC1)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768887212 1080832693 /nfs/dbraw/zinc/83/26/93/1080832693.db2.gz GNCDGCIVGOTXRY-UHFFFAOYSA-N 0 2 411.461 2.366 20 5 HEBDLN CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768861557 1080842845 /nfs/dbraw/zinc/84/28/45/1080842845.db2.gz MOCMSPOKZRLWSS-UHFFFAOYSA-N 0 2 419.506 2.486 20 5 HEBDLN COc1ccccc1[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1noc(C)n1 ZINC000768836745 1080818818 /nfs/dbraw/zinc/81/88/18/1080818818.db2.gz XJZUFWDZNUBQSY-AWEZNQCLSA-N 0 2 410.433 2.424 20 5 HEBDLN O=C1NCCN1c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000766358245 1078914245 /nfs/dbraw/zinc/91/42/45/1078914245.db2.gz RARLGFCOJCGZGO-UHFFFAOYSA-N 0 2 413.415 2.473 20 5 HEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771572219 1079375805 /nfs/dbraw/zinc/37/58/05/1079375805.db2.gz WHGZDNFCHWGUOV-UHFFFAOYSA-N 0 2 411.403 2.227 20 5 HEBDLN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1C ZINC000742025733 1076721522 /nfs/dbraw/zinc/72/15/22/1076721522.db2.gz HXHYKJZBILRPSG-UHFFFAOYSA-N 0 2 417.440 2.060 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000742028607 1076723055 /nfs/dbraw/zinc/72/30/55/1076723055.db2.gz WGTAORSBXUTEOL-UHFFFAOYSA-N 0 2 421.406 2.492 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000742027284 1076723080 /nfs/dbraw/zinc/72/30/80/1076723080.db2.gz PPUWHOUIEAUREO-UHFFFAOYSA-N 0 2 421.406 2.492 20 5 HEBDLN O=c1[nH]cnc2c1cnn2-c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866343 1080823596 /nfs/dbraw/zinc/82/35/96/1080823596.db2.gz SULQEFHFLPXDSE-UHFFFAOYSA-N 0 2 418.416 2.292 20 5 HEBDLN COCCCS(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768888271 1080833398 /nfs/dbraw/zinc/83/33/98/1080833398.db2.gz LTXAPGZUKOIJGS-UHFFFAOYSA-N 0 2 420.490 2.267 20 5 HEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1Br ZINC000769636481 1081156374 /nfs/dbraw/zinc/15/63/74/1081156374.db2.gz VXBNGGPOUPGDSC-JTQLQIEISA-N 0 2 417.241 2.316 20 5 HEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000770855220 1079040000 /nfs/dbraw/zinc/04/00/00/1079040000.db2.gz AIHHOJTWJVESIW-ZBFHGGJFSA-N 0 2 401.375 2.011 20 5 HEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769636597 1081156701 /nfs/dbraw/zinc/15/67/01/1081156701.db2.gz YUOGQUZBODIBQK-UHFFFAOYSA-N 0 2 416.209 2.340 20 5 HEBDLN Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)c1 ZINC000745967206 1078711459 /nfs/dbraw/zinc/71/14/59/1078711459.db2.gz DPZSTSAQMASERP-UHFFFAOYSA-N 0 2 404.379 2.347 20 5 HEBDLN O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859280 1079042426 /nfs/dbraw/zinc/04/24/26/1079042426.db2.gz XBZQNWWKEBSTKH-UHFFFAOYSA-N 0 2 414.418 2.193 20 5 HEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1-n1nnnc1C ZINC000742029408 1076724486 /nfs/dbraw/zinc/72/44/86/1076724486.db2.gz MCDDLCSCBGEVGS-UHFFFAOYSA-N 0 2 422.398 2.136 20 5 HEBDLN Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866661 1080823644 /nfs/dbraw/zinc/82/36/44/1080823644.db2.gz NYDQSXBLHHWNQV-UHFFFAOYSA-N 0 2 405.479 2.016 20 5 HEBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000769631455 1081149520 /nfs/dbraw/zinc/14/95/20/1081149520.db2.gz UEIZDXSIIPYXSN-UHFFFAOYSA-N 0 2 405.841 2.005 20 5 HEBDLN NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000770855849 1079040565 /nfs/dbraw/zinc/04/05/65/1079040565.db2.gz GTOQFQVSJADBBI-JSNVTFDYSA-N 0 2 424.413 2.042 20 5 HEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000770856714 1079041499 /nfs/dbraw/zinc/04/14/99/1079041499.db2.gz MHZJQUGEDXDDFV-UHFFFAOYSA-N 0 2 422.350 2.049 20 5 HEBDLN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(I)c2O)n1 ZINC000771384439 1079317003 /nfs/dbraw/zinc/31/70/03/1079317003.db2.gz VKOWSAMVOSLOIU-UHFFFAOYSA-N 0 2 413.131 2.356 20 5 HEBDLN CCN(C)C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000746565680 1080304424 /nfs/dbraw/zinc/30/44/24/1080304424.db2.gz DLGKOXLSUJBCMV-UHFFFAOYSA-N 0 2 421.431 2.031 20 5 HEBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000768327398 1080488158 /nfs/dbraw/zinc/48/81/58/1080488158.db2.gz NIBREMQPMCIGOK-UHFFFAOYSA-N 0 2 416.209 2.340 20 5 HEBDLN O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768769014 1080754060 /nfs/dbraw/zinc/75/40/60/1080754060.db2.gz BSFDACSAWWDOTJ-INIZCTEOSA-N 0 2 407.423 2.203 20 5 HEBDLN O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768769014 1080754066 /nfs/dbraw/zinc/75/40/66/1080754066.db2.gz BSFDACSAWWDOTJ-INIZCTEOSA-N 0 2 407.423 2.203 20 5 HEBDLN COc1ccccc1[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1noc(C)n1 ZINC000768836746 1080818832 /nfs/dbraw/zinc/81/88/32/1080818832.db2.gz XJZUFWDZNUBQSY-CQSZACIVSA-N 0 2 410.433 2.424 20 5 HEBDLN Cc1cnn(-c2ccc(C(N)=O)cc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768892491 1080835734 /nfs/dbraw/zinc/83/57/34/1080835734.db2.gz UVQMIEGNVKBTNE-UHFFFAOYSA-N 0 2 407.433 2.050 20 5 HEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2ccc(Br)cn2n1 ZINC000786184949 1080461844 /nfs/dbraw/zinc/46/18/44/1080461844.db2.gz XMVNYVHFMWLAQU-UHFFFAOYSA-N 0 2 416.188 2.340 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000786763428 1080805098 /nfs/dbraw/zinc/80/50/98/1080805098.db2.gz AZCXIVAYQFYPQA-LBPRGKRZSA-N 0 2 416.312 2.391 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000768861132 1080842866 /nfs/dbraw/zinc/84/28/66/1080842866.db2.gz JDRCKKWKAXZDGB-UHFFFAOYSA-N 0 2 417.490 2.242 20 5 HEBDLN O=C(COC(=O)c1cc(O)cc([N+](=O)[O-])c1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000769047946 1080894450 /nfs/dbraw/zinc/89/44/50/1080894450.db2.gz QGEARGXGFJMACK-UHFFFAOYSA-N 0 2 410.285 2.015 20 5 HEBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NS(=O)(=O)c1cccnc1Cl ZINC000770856827 1079040937 /nfs/dbraw/zinc/04/09/37/1079040937.db2.gz NHXNLSJBHCDTAY-VIFPVBQESA-N 0 2 414.827 2.044 20 5 HEBDLN O=C(OCCC1(O)CC1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000785659290 1080179818 /nfs/dbraw/zinc/17/98/18/1080179818.db2.gz WWVXZCWFLAISNF-UHFFFAOYSA-N 0 2 406.416 2.467 20 5 HEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1F ZINC000746598949 1080743416 /nfs/dbraw/zinc/74/34/16/1080743416.db2.gz PEPLUPUTFLSLHC-UHFFFAOYSA-N 0 2 416.452 2.430 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786767424 1080809026 /nfs/dbraw/zinc/80/90/26/1080809026.db2.gz RVYSENMSZFBMRI-SKDRFNHKSA-N 0 2 405.329 2.168 20 5 HEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000770858169 1079041465 /nfs/dbraw/zinc/04/14/65/1079041465.db2.gz QKDQEMNUEMOWIA-UHFFFAOYSA-N 0 2 413.358 2.272 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1[N+](=O)[O-] ZINC000742028983 1076725222 /nfs/dbraw/zinc/72/52/22/1076725222.db2.gz RRXQNGKVWWGWLF-UHFFFAOYSA-N 0 2 422.394 2.242 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1[N+](=O)[O-] ZINC000742030000 1076726310 /nfs/dbraw/zinc/72/63/10/1076726310.db2.gz NFFRXJLDEKAJCC-UHFFFAOYSA-N 0 2 419.394 2.128 20 5 HEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000770280200 1078805751 /nfs/dbraw/zinc/80/57/51/1078805751.db2.gz JCENZLSXAVLEEV-UHFFFAOYSA-N 0 2 421.410 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Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000786779742 1080820289 /nfs/dbraw/zinc/82/02/89/1080820289.db2.gz UTFPGYOKJYXNEJ-GWCFXTLKSA-N 0 2 419.356 2.477 20 5 HEBDLN COC(=O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000768863911 1080843915 /nfs/dbraw/zinc/84/39/15/1080843915.db2.gz DZTTVBULBSLZRZ-UHFFFAOYSA-N 0 2 400.390 2.030 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cs1 ZINC000768864046 1080844470 /nfs/dbraw/zinc/84/44/70/1080844470.db2.gz IXBDVTBSKQAION-UHFFFAOYSA-N 0 2 417.490 2.242 20 5 HEBDLN CCO[C@@H]1C[C@](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699894 939189282 /nfs/dbraw/zinc/18/92/82/939189282.db2.gz VXRXFXLKNIESTR-BEFAXECRSA-N 0 2 402.407 2.169 20 5 HEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc([N+](=O)[O-])c1C ZINC000769867789 1078588550 /nfs/dbraw/zinc/58/85/50/1078588550.db2.gz ICCCONYKPIGILJ-UHFFFAOYSA-N 0 2 408.436 2.492 20 5 HEBDLN O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000766679103 1079250750 /nfs/dbraw/zinc/25/07/50/1079250750.db2.gz UDSLGNPBZOWSNY-UHFFFAOYSA-N 0 2 406.342 2.183 20 5 HEBDLN O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804337086 1079380253 /nfs/dbraw/zinc/38/02/53/1079380253.db2.gz ULQZNICJPUKCII-LLVKDONJSA-N 0 2 402.798 2.081 20 5 HEBDLN CNC(=O)CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000742029913 1076725295 /nfs/dbraw/zinc/72/52/95/1076725295.db2.gz WOAOENCNIODGEY-UHFFFAOYSA-N 0 2 411.411 2.358 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(CN3CCOCC3)n2)ccc1Cl ZINC000768015163 1080283818 /nfs/dbraw/zinc/28/38/18/1080283818.db2.gz COGCZBVHYFOITF-UHFFFAOYSA-N 0 2 412.855 2.276 20 5 HEBDLN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000745730815 1078619065 /nfs/dbraw/zinc/61/90/65/1078619065.db2.gz VQIJYGSXSPPMIV-GFCCVEGCSA-N 0 2 421.431 2.029 20 5 HEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000770859338 1079042402 /nfs/dbraw/zinc/04/24/02/1079042402.db2.gz YKSIJSHMSLHJMS-UHFFFAOYSA-N 0 2 405.168 2.291 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742028547 1076723329 /nfs/dbraw/zinc/72/33/29/1076723329.db2.gz RWRUICZIQCUEAB-UHFFFAOYSA-N 0 2 402.425 2.388 20 5 HEBDLN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000766306186 1077366860 /nfs/dbraw/zinc/36/68/60/1077366860.db2.gz BMVKGCQFJGGXKW-UHFFFAOYSA-N 0 2 403.775 2.052 20 5 HEBDLN NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742233173 1080092855 /nfs/dbraw/zinc/09/28/55/1080092855.db2.gz VJFVFEATSJNTGM-UHFFFAOYSA-N 0 2 400.210 2.257 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cs1 ZINC000768861755 1080842917 /nfs/dbraw/zinc/84/29/17/1080842917.db2.gz IUOWOKAXLDSDJQ-UHFFFAOYSA-N 0 2 410.433 2.435 20 5 HEBDLN CN(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1=NS(=O)(=O)c2ccccc21 ZINC000770858297 1079041487 /nfs/dbraw/zinc/04/14/87/1079041487.db2.gz RQYWPRKEDHYMIV-UHFFFAOYSA-N 0 2 418.431 2.100 20 5 HEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000771575443 1079378025 /nfs/dbraw/zinc/37/80/25/1079378025.db2.gz GVUBQKLBQKXJOH-QGZVFWFLSA-N 0 2 422.401 2.101 20 5 HEBDLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000768286042 1080458462 /nfs/dbraw/zinc/45/84/62/1080458462.db2.gz UETHBHSNXDNLIX-UHFFFAOYSA-N 0 2 414.415 2.338 20 5 HEBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@H](O)C1 ZINC000768524112 1080609838 /nfs/dbraw/zinc/60/98/38/1080609838.db2.gz FYJBRRPFPGUJLE-MLGOLLRUSA-N 0 2 407.448 2.221 20 5 HEBDLN O=c1[nH]nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000786563081 1080689169 /nfs/dbraw/zinc/68/91/69/1080689169.db2.gz XWJMYGOWLUTSSV-MRVPVSSYSA-N 0 2 421.357 2.096 20 5 HEBDLN CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2c1 ZINC000768847968 1080823070 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ITLJFFFATFJFTR-UHFFFAOYSA-N 0 2 423.403 2.369 20 5 HEBDLN O=C1N=NC([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)O1 ZINC000786549771 1080679736 /nfs/dbraw/zinc/67/97/36/1080679736.db2.gz BBNSFIAEJCXFKH-MRVPVSSYSA-N 0 2 422.341 2.361 20 5 HEBDLN O=C1N=NC([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)O1 ZINC000786549778 1080679806 /nfs/dbraw/zinc/67/98/06/1080679806.db2.gz BBNSFIAEJCXFKH-QMMMGPOBSA-N 0 2 422.341 2.361 20 5 HEBDLN O=c1[nH]nc([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000786563084 1080689355 /nfs/dbraw/zinc/68/93/55/1080689355.db2.gz XWJMYGOWLUTSSV-QMMMGPOBSA-N 0 2 421.357 2.096 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786776061 1080817194 /nfs/dbraw/zinc/81/71/94/1080817194.db2.gz FTKOSOHAPUCPSV-SKDRFNHKSA-N 0 2 405.329 2.168 20 5 HEBDLN O=C(COc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCCC1 ZINC000768865626 1080823614 /nfs/dbraw/zinc/82/36/14/1080823614.db2.gz KCYGHSFLEOOHSY-UHFFFAOYSA-N 0 2 411.461 2.458 20 5 HEBDLN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000769614066 1081172556 /nfs/dbraw/zinc/17/25/56/1081172556.db2.gz RNECTRVQEOQXFV-UHFFFAOYSA-N 0 2 409.345 2.498 20 5 HEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1N1CCOC1=O ZINC000743266767 1077018570 /nfs/dbraw/zinc/01/85/70/1077018570.db2.gz SFMKQRCIDBRYQC-UHFFFAOYSA-N 0 2 423.403 2.369 20 5 HEBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)CC2 ZINC000768387934 1080537563 /nfs/dbraw/zinc/53/75/63/1080537563.db2.gz YBZJINQBAUAGMZ-UHFFFAOYSA-N 0 2 405.432 2.062 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000786765435 1080807109 /nfs/dbraw/zinc/80/71/09/1080807109.db2.gz JNLUSTQEEVHKIQ-LBPRGKRZSA-N 0 2 406.313 2.208 20 5 HEBDLN COCCNC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768869896 1080825777 /nfs/dbraw/zinc/82/57/77/1080825777.db2.gz YYVRXGKHYUOOOZ-UHFFFAOYSA-N 0 2 419.868 2.487 20 5 HEBDLN CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000786652105 1080734832 /nfs/dbraw/zinc/73/48/32/1080734832.db2.gz WMNXYGORGLOVHM-UHFFFAOYSA-N 0 2 400.416 2.462 20 5 HEBDLN O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768769017 1080754189 /nfs/dbraw/zinc/75/41/89/1080754189.db2.gz BSFDACSAWWDOTJ-MRXNPFEDSA-N 0 2 407.423 2.203 20 5 HEBDLN O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768769017 1080754199 /nfs/dbraw/zinc/75/41/99/1080754199.db2.gz BSFDACSAWWDOTJ-MRXNPFEDSA-N 0 2 407.423 2.203 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1[N+](=O)[O-] ZINC000742027752 1076722522 /nfs/dbraw/zinc/72/25/22/1076722522.db2.gz IIQWGGJYJQHNDU-UHFFFAOYSA-N 0 2 418.406 2.448 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000742028787 1076723145 /nfs/dbraw/zinc/72/31/45/1076723145.db2.gz HGUHRBBDQSNNLX-UHFFFAOYSA-N 0 2 423.422 2.316 20 5 HEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000785510330 1080058724 /nfs/dbraw/zinc/05/87/24/1080058724.db2.gz YCOBYYMSPLXFQK-LBPRGKRZSA-N 0 2 424.431 2.189 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786777427 1080818138 /nfs/dbraw/zinc/81/81/38/1080818138.db2.gz MMMLEUQWPWXVRK-PELKAZGASA-N 0 2 423.319 2.307 20 5 HEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCN2C(C)=O ZINC000768888784 1080834466 /nfs/dbraw/zinc/83/44/66/1080834466.db2.gz WDGXNXZWOXPDPZ-UHFFFAOYSA-N 0 2 419.415 2.091 20 5 HEBDLN NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000770855853 1079040591 /nfs/dbraw/zinc/04/05/91/1079040591.db2.gz GTOQFQVSJADBBI-VTGFLYEISA-N 0 2 424.413 2.042 20 5 HEBDLN CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1S(N)(=O)=O ZINC000742028446 1076723028 /nfs/dbraw/zinc/72/30/28/1076723028.db2.gz LXBRUXZQMIRIIJ-UHFFFAOYSA-N 0 2 417.440 2.053 20 5 HEBDLN NC(=O)C1CCN(c2ccccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768857231 1080807562 /nfs/dbraw/zinc/80/75/62/1080807562.db2.gz HXMMSSSOIITCQV-UHFFFAOYSA-N 0 2 410.477 2.159 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000786767423 1080809010 /nfs/dbraw/zinc/80/90/10/1080809010.db2.gz RVYSENMSZFBMRI-CABZTGNLSA-N 0 2 405.329 2.168 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786777428 1080818183 /nfs/dbraw/zinc/81/81/83/1080818183.db2.gz MMMLEUQWPWXVRK-UFBFGSQYSA-N 0 2 423.319 2.307 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786778625 1080819838 /nfs/dbraw/zinc/81/98/38/1080819838.db2.gz WKRKAQVIMIROPS-CABZTGNLSA-N 0 2 405.329 2.168 20 5 HEBDLN CCn1c(=O)c2ccc(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2[nH]c1=S ZINC000769626804 1081143854 /nfs/dbraw/zinc/14/38/54/1081143854.db2.gz XHRLQRJXOWEEQW-UHFFFAOYSA-N 0 2 424.442 2.420 20 5 HEBDLN NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000770855847 1079040602 /nfs/dbraw/zinc/04/06/02/1079040602.db2.gz GTOQFQVSJADBBI-HQWZXOHUSA-N 0 2 424.413 2.042 20 5 HEBDLN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1C ZINC000768503862 1080596041 /nfs/dbraw/zinc/59/60/41/1080596041.db2.gz LCYRFUCXECXSBL-UHFFFAOYSA-N 0 2 418.225 2.283 20 5 HEBDLN O=C1NCc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)cc21 ZINC000768505868 1080596617 /nfs/dbraw/zinc/59/66/17/1080596617.db2.gz MBELVWQDMGHWCI-UHFFFAOYSA-N 0 2 412.221 2.402 20 5 HEBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@@H](O)C1 ZINC000768524114 1080609953 /nfs/dbraw/zinc/60/99/53/1080609953.db2.gz FYJBRRPFPGUJLE-WBMJQRKESA-N 0 2 407.448 2.221 20 5 HEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786775846 1080817155 /nfs/dbraw/zinc/81/71/55/1080817155.db2.gz FQUKWNHVFJYSDS-ZDUSSCGKSA-N 0 2 405.329 2.088 20 5 HEBDLN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000786779743 1080820359 /nfs/dbraw/zinc/82/03/59/1080820359.db2.gz UTFPGYOKJYXNEJ-MFKMUULPSA-N 0 2 419.356 2.477 20 5 HEBDLN O=C(c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)N1CCC(O)CC1 ZINC000768867697 1080824769 /nfs/dbraw/zinc/82/47/69/1080824769.db2.gz HQTSTNRUGUFKPY-UHFFFAOYSA-N 0 2 411.461 2.054 20 5 HEBDLN O=C(N[C@H]1CCc2c[nH+]cn2C1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804337088 1079380152 /nfs/dbraw/zinc/38/01/52/1079380152.db2.gz ULQZNICJPUKCII-NSHDSACASA-N 0 2 402.798 2.081 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742027257 1076723538 /nfs/dbraw/zinc/72/35/38/1076723538.db2.gz OFEAATSCLOAQSF-UHFFFAOYSA-N 0 2 421.403 2.354 20 5 HEBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](O)[C@@H](C)C1 ZINC000768524110 1080609869 /nfs/dbraw/zinc/60/98/69/1080609869.db2.gz FYJBRRPFPGUJLE-LRDDRELGSA-N 0 2 407.448 2.221 20 5 HEBDLN O=C1N=NC([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)O1 ZINC000786550901 1080680613 /nfs/dbraw/zinc/68/06/13/1080680613.db2.gz MFIDKEFVOGODTA-MRVPVSSYSA-N 0 2 404.351 2.064 20 5 HEBDLN CCO[C@H]1C[C@](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699897 939189183 /nfs/dbraw/zinc/18/91/83/939189183.db2.gz VXRXFXLKNIESTR-KXBFYZLASA-N 0 2 402.407 2.169 20 5 HEBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000771608266 1079395040 /nfs/dbraw/zinc/39/50/40/1079395040.db2.gz LYKYKHFAPMUDNV-UHFFFAOYSA-N 0 2 423.831 2.144 20 5 HEBDLN O=C1N=NC([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)O1 ZINC000786550905 1080680544 /nfs/dbraw/zinc/68/05/44/1080680544.db2.gz MFIDKEFVOGODTA-QMMMGPOBSA-N 0 2 404.351 2.064 20 5 HEBDLN O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768775515 1080791078 /nfs/dbraw/zinc/79/10/78/1080791078.db2.gz AQGNUVYNCHPSBD-GOSISDBHSA-N 0 2 421.450 2.345 20 5 HEBDLN O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768775515 1080791091 /nfs/dbraw/zinc/79/10/91/1080791091.db2.gz AQGNUVYNCHPSBD-GOSISDBHSA-N 0 2 421.450 2.345 20 5 HEBDLN CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699896 939189251 /nfs/dbraw/zinc/18/92/51/939189251.db2.gz VXRXFXLKNIESTR-HNAYVOBHSA-N 0 2 402.407 2.169 20 5 HEBDLN COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(C)c1 ZINC000767250973 1079777747 /nfs/dbraw/zinc/77/77/47/1079777747.db2.gz SEFIYFVXEUXRTK-CQSZACIVSA-N 0 2 400.359 2.374 20 5 HEBDLN O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768775526 1080791205 /nfs/dbraw/zinc/79/12/05/1080791205.db2.gz AQGNUVYNCHPSBD-SFHVURJKSA-N 0 2 421.450 2.345 20 5 HEBDLN O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768775526 1080791213 /nfs/dbraw/zinc/79/12/13/1080791213.db2.gz AQGNUVYNCHPSBD-SFHVURJKSA-N 0 2 421.450 2.345 20 5 HEBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NS(=O)(=O)c1cccnc1Cl ZINC000770856822 1079041372 /nfs/dbraw/zinc/04/13/72/1079041372.db2.gz NHXNLSJBHCDTAY-SECBINFHSA-N 0 2 414.827 2.044 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000742028541 1076723016 /nfs/dbraw/zinc/72/30/16/1076723016.db2.gz RODLZEMUYLDMPR-UHFFFAOYSA-N 0 2 402.425 2.388 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000742028598 1076723494 /nfs/dbraw/zinc/72/34/94/1076723494.db2.gz VXTYXKLTFZDUJV-UHFFFAOYSA-N 0 2 402.425 2.388 20 5 HEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OCC(C)=O)cc1 ZINC000785509796 1080058868 /nfs/dbraw/zinc/05/88/68/1080058868.db2.gz RMWJJMUILDTEAO-UHFFFAOYSA-N 0 2 408.388 2.150 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)cs1 ZINC000786184157 1080463290 /nfs/dbraw/zinc/46/32/90/1080463290.db2.gz VBWHDYNXZZSMFR-UHFFFAOYSA-N 0 2 404.227 2.262 20 5 HEBDLN CC(C)(C)n1nccc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000786186957 1080463917 /nfs/dbraw/zinc/46/39/17/1080463917.db2.gz TVJLQCQKLQFMDV-UHFFFAOYSA-N 0 2 409.424 2.304 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786776059 1080817205 /nfs/dbraw/zinc/81/72/05/1080817205.db2.gz FTKOSOHAPUCPSV-CABZTGNLSA-N 0 2 405.329 2.168 20 5 HEBDLN Cc1cc(C(=O)N2CCOCC2)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768888327 1080833329 /nfs/dbraw/zinc/83/33/29/1080833329.db2.gz MMZJXZSEMBPXLB-UHFFFAOYSA-N 0 2 411.461 2.238 20 5 HEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cs1 ZINC000768889862 1080835070 /nfs/dbraw/zinc/83/50/70/1080835070.db2.gz SWQLMQCOSRPEBM-UHFFFAOYSA-N 0 2 421.453 2.037 20 5 HEBDLN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000771779880 1079501708 /nfs/dbraw/zinc/50/17/08/1079501708.db2.gz IIWFNENQRVHELW-OAHLLOKOSA-N 0 2 400.359 2.374 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742027829 1076722438 /nfs/dbraw/zinc/72/24/38/1076722438.db2.gz WIRQFJZTSPJVDR-UHFFFAOYSA-N 0 2 403.413 2.215 20 5 HEBDLN COc1ccc(-c2n[nH]c(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000785530979 1080041380 /nfs/dbraw/zinc/04/13/80/1080041380.db2.gz RGGHQJBATOQLTG-UHFFFAOYSA-N 0 2 413.415 2.437 20 5 HEBDLN NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1F ZINC000768506479 1080596948 /nfs/dbraw/zinc/59/69/48/1080596948.db2.gz SYXBTFWGUYLLFG-UHFFFAOYSA-N 0 2 418.200 2.396 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000746597961 1080740560 /nfs/dbraw/zinc/74/05/60/1080740560.db2.gz AKTDGRAYHAKXAE-UHFFFAOYSA-N 0 2 416.452 2.430 20 5 HEBDLN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768867236 1080824289 /nfs/dbraw/zinc/82/42/89/1080824289.db2.gz UUWCGFQBJYMYBJ-UHFFFAOYSA-N 0 2 405.479 2.145 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000742032093 1076726890 /nfs/dbraw/zinc/72/68/90/1076726890.db2.gz LGWRLBODIUEFLN-GFCCVEGCSA-N 0 2 421.406 2.048 20 5 HEBDLN COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(C)c1 ZINC000767250971 1079777907 /nfs/dbraw/zinc/77/79/07/1079777907.db2.gz SEFIYFVXEUXRTK-AWEZNQCLSA-N 0 2 400.359 2.374 20 5 HEBDLN COc1ccccc1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000768799321 1080803910 /nfs/dbraw/zinc/80/39/10/1080803910.db2.gz TVBDSDKTJLVNLV-OAHLLOKOSA-N 0 2 408.461 2.466 20 5 HEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786778627 1080819725 /nfs/dbraw/zinc/81/97/25/1080819725.db2.gz WKRKAQVIMIROPS-SKDRFNHKSA-N 0 2 405.329 2.168 20 5 HEBDLN CN(C1CC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768883618 1080830597 /nfs/dbraw/zinc/83/05/97/1080830597.db2.gz ZILOJCOHTSPEGM-UHFFFAOYSA-N 0 2 417.490 2.240 20 5 HEBDLN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000745730817 1078619256 /nfs/dbraw/zinc/61/92/56/1078619256.db2.gz VQIJYGSXSPPMIV-LBPRGKRZSA-N 0 2 421.431 2.029 20 5 HEBDLN Cc1c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771569922 1079388792 /nfs/dbraw/zinc/38/87/92/1079388792.db2.gz GIBVKEFSEIAYRP-UHFFFAOYSA-N 0 2 412.362 2.439 20 5 HEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000742028976 1076724966 /nfs/dbraw/zinc/72/49/66/1076724966.db2.gz RIPSAAHRZWEMKP-UHFFFAOYSA-N 0 2 423.422 2.316 20 5 HEBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000743789186 1077116308 /nfs/dbraw/zinc/11/63/08/1077116308.db2.gz JPVPDJRHQXELGM-UHFFFAOYSA-N 0 2 404.386 2.213 20 5 HEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OCCCCO)cc1 ZINC000785510221 1080027807 /nfs/dbraw/zinc/02/78/07/1080027807.db2.gz UZZUUYKGZNABBM-UHFFFAOYSA-N 0 2 424.431 2.334 20 5 HEBDLN CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768861926 1080843618 /nfs/dbraw/zinc/84/36/18/1080843618.db2.gz PGJNKFBTNNJUQU-UHFFFAOYSA-N 0 2 405.479 2.144 20 5 HEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1Br ZINC000769636482 1081156434 /nfs/dbraw/zinc/15/64/34/1081156434.db2.gz VXBNGGPOUPGDSC-SNVBAGLBSA-N 0 2 417.241 2.316 20 5 HEBDLN