smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)cccc1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491934 571329866 /nfs/dbraw/zinc/32/98/66/571329866.db2.gz TUCRSHFQNTXKFQ-UHFFFAOYSA-N 0 2 365.798 3.839 50 5 FHBALN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000009116217 204353972 /nfs/dbraw/zinc/35/39/72/204353972.db2.gz OKAYURKRUIDVKI-UHFFFAOYSA-N 0 2 360.313 3.723 50 5 FHBALN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000084557019 571089626 /nfs/dbraw/zinc/08/96/26/571089626.db2.gz IBDHBUJWPOOWQF-GXTWGEPZSA-N 0 2 355.375 3.692 50 5 FHBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000005090907 204191659 /nfs/dbraw/zinc/19/16/59/204191659.db2.gz ISEWFCYYQIRWIW-UHFFFAOYSA-N 0 2 360.363 3.710 50 5 FHBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000047212124 570882793 /nfs/dbraw/zinc/88/27/93/570882793.db2.gz KPYLCQIVFOWZBI-UHFFFAOYSA-N 0 2 371.374 3.583 50 5 FHBALN O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2c1 ZINC000020491970 571329859 /nfs/dbraw/zinc/32/98/59/571329859.db2.gz WHDOBKQKGGQZQY-UHFFFAOYSA-N 0 2 369.761 3.669 50 5 FHBALN CCCCOC(=O)c1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004321174 204133004 /nfs/dbraw/zinc/13/30/04/204133004.db2.gz BDXPYUWAUUVMIK-UHFFFAOYSA-N 0 2 360.326 3.599 50 5 FHBALN O=C([O-])c1c[nH+]c2ccc(Cl)cc2c1Nc1cc([N+](=O)[O-])ccc1O ZINC000019795555 206325611 /nfs/dbraw/zinc/32/56/11/206325611.db2.gz NELSLAPDBSJAGH-UHFFFAOYSA-N 0 2 359.725 3.944 50 5 FHBALN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000000898066 571123865 /nfs/dbraw/zinc/12/38/65/571123865.db2.gz VAWFROUUFJEQMM-UHFFFAOYSA-N 0 2 369.811 3.659 50 5 FHBALN O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000035832786 571206256 /nfs/dbraw/zinc/20/62/56/571206256.db2.gz XLDYRTAPKQIASS-UHFFFAOYSA-N 0 2 352.799 3.826 50 5 FHBALN CC[N@@H+](c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000003333818 204092256 /nfs/dbraw/zinc/09/22/56/204092256.db2.gz ADEBENLWJQYPQJ-UHFFFAOYSA-N 0 2 363.439 3.630 50 5 FHBALN CC[N@H+](c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(C)C ZINC000003333818 204092259 /nfs/dbraw/zinc/09/22/59/204092259.db2.gz ADEBENLWJQYPQJ-UHFFFAOYSA-N 0 2 363.439 3.630 50 5 FHBALN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000071800082 571125864 /nfs/dbraw/zinc/12/58/64/571125864.db2.gz UAHMFFOBOVXSBP-CMPLNLGQSA-N 0 2 372.233 3.644 50 5 FHBALN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000014256222 570522335 /nfs/dbraw/zinc/52/23/35/570522335.db2.gz VDLFBNRGSNVJNO-UHFFFAOYSA-N 0 2 350.396 3.528 50 5 FHBALN Cc1nn(-c2ccccc2)c(C)c1Nc1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000032824972 570816750 /nfs/dbraw/zinc/81/67/50/570816750.db2.gz FAANKDWQRZDNKT-UHFFFAOYSA-N 0 2 365.397 3.505 50 5 FHBALN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000001741107 204018067 /nfs/dbraw/zinc/01/80/67/204018067.db2.gz VXOKIQAXTKDIJJ-UHFFFAOYSA-N 0 2 358.375 3.557 50 5 FHBALN COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000005259916 204200018 /nfs/dbraw/zinc/20/00/18/204200018.db2.gz BMMNIFQJYZRUGS-UHFFFAOYSA-N 0 2 364.423 3.702 50 5 FHBALN CCCCOc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004148011 204125188 /nfs/dbraw/zinc/12/51/88/204125188.db2.gz CVZBFXJDRZHTMC-UHFFFAOYSA-N 0 2 350.396 3.575 50 5 FHBALN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c(O)cc(F)cc1F ZINC000083862024 571054544 /nfs/dbraw/zinc/05/45/44/571054544.db2.gz YNEQBKFMBOEEOM-UHFFFAOYSA-N 0 2 356.712 3.504 50 5 FHBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000012536061 571176068 /nfs/dbraw/zinc/17/60/68/571176068.db2.gz XIJGVCNEOYHSAQ-UHFFFAOYSA-N 0 2 362.407 3.717 50 5 FHBALN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000071800080 571125878 /nfs/dbraw/zinc/12/58/78/571125878.db2.gz UAHMFFOBOVXSBP-JQWIXIFHSA-N 0 2 372.233 3.644 50 5 FHBALN O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000024210686 570624661 /nfs/dbraw/zinc/62/46/61/570624661.db2.gz LURKLNYDUOPGDG-SFHVURJKSA-N 0 2 365.345 3.660 50 5 FHBALN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc([N+](=O)[O-])s1 ZINC000009828017 571119706 /nfs/dbraw/zinc/11/97/06/571119706.db2.gz USTSWWYOKREJDZ-UHFFFAOYSA-N 0 2 356.319 3.705 50 5 FHBALN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000036448971 571254974 /nfs/dbraw/zinc/25/49/74/571254974.db2.gz IGLNZCLIUFJFRB-UHFFFAOYSA-N 0 2 369.421 3.563 50 5 FHBALN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000058406073 208583849 /nfs/dbraw/zinc/58/38/49/208583849.db2.gz WPRYVQVLRDPQCT-MWLCHTKSSA-N 0 2 372.233 3.644 50 5 FHBALN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cc(Cl)ccc1Cl ZINC000004014004 571354024 /nfs/dbraw/zinc/35/40/24/571354024.db2.gz JWMFPDCOFMVYJL-UHFFFAOYSA-N 0 2 371.136 3.652 50 5 FHBALN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000005197093 570631108 /nfs/dbraw/zinc/63/11/08/570631108.db2.gz UWUQYSUSGIUBOC-LLVKDONJSA-N 0 2 350.396 3.615 50 5 FHBALN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1F ZINC000020627197 571331577 /nfs/dbraw/zinc/33/15/77/571331577.db2.gz IBTCBEWOFLBUAG-UHFFFAOYSA-N 0 2 371.198 3.903 50 5 FHBALN COc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000015011162 570812904 /nfs/dbraw/zinc/81/29/04/570812904.db2.gz DXNDQQFOORUHMR-DHDCSXOGSA-N 0 2 372.358 3.550 50 5 FHBALN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(C(F)(F)F)n[nH]1 ZINC000001040672 571143290 /nfs/dbraw/zinc/14/32/90/571143290.db2.gz YRLFRSGIVUNGRJ-UHFFFAOYSA-N 0 2 358.223 3.902 50 5 FHBALN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC000083331836 208307432 /nfs/dbraw/zinc/30/74/32/208307432.db2.gz HOTWMRORRVZVOV-KTKRTIGZSA-N 0 2 359.341 3.861 50 5 FHBALN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2 ZINC000002512887 571323396 /nfs/dbraw/zinc/32/33/96/571323396.db2.gz LPCHIYRMRVGBFU-UHFFFAOYSA-N 0 2 352.799 3.538 50 5 FHBALN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000005197142 206708749 /nfs/dbraw/zinc/70/87/49/206708749.db2.gz UWUQYSUSGIUBOC-NSHDSACASA-N 0 2 350.396 3.615 50 5 FHBALN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(CCc2ccccc2)CC1 ZINC000036451960 208163526 /nfs/dbraw/zinc/16/35/26/208163526.db2.gz LJKRLWZQXXZVDB-UHFFFAOYSA-N 0 2 354.406 3.785 50 5 FHBALN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000071800079 571125897 /nfs/dbraw/zinc/12/58/97/571125897.db2.gz UAHMFFOBOVXSBP-PWSUYJOCSA-N 0 2 372.233 3.644 50 5 FHBALN O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc([N+](=O)[O-])o1 ZINC000035586387 207222290 /nfs/dbraw/zinc/22/22/90/207222290.db2.gz VZZFAHKITUDMSL-UHFFFAOYSA-N 0 2 368.227 3.509 50 5 FHBALN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000084557014 571088997 /nfs/dbraw/zinc/08/89/97/571088997.db2.gz IBDHBUJWPOOWQF-OCCSQVGLSA-N 0 2 355.375 3.692 50 5 FHBALN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000084557017 571089240 /nfs/dbraw/zinc/08/92/40/571089240.db2.gz IBDHBUJWPOOWQF-TZMCWYRMSA-N 0 2 355.375 3.692 50 5 FHBALN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000071800081 571125824 /nfs/dbraw/zinc/12/58/24/571125824.db2.gz UAHMFFOBOVXSBP-ZYHUDNBSSA-N 0 2 372.233 3.644 50 5 FHBALN CCOC(=O)c1ccccc1SCC(c1ccc(OC)cc1)[N+](=O)[O-] ZINC000000984787 571141451 /nfs/dbraw/zinc/14/14/51/571141451.db2.gz ZYPICBIUSADZND-INIZCTEOSA-N 0 2 361.419 3.982 50 5 FHBALN CCOC(=O)c1ccccc1SC[C@@H](c1ccc(OC)cc1)[N+](=O)[O-] ZINC000000984787 571141454 /nfs/dbraw/zinc/14/14/54/571141454.db2.gz ZYPICBIUSADZND-INIZCTEOSA-N 0 2 361.419 3.982 50 5 FHBALN CCC(C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)=C(O)c1ccccc1 ZINC000198726608 571292088 /nfs/dbraw/zinc/29/20/88/571292088.db2.gz KXOVRBJDOHDBBB-QGZVFWFLSA-N 0 2 368.389 3.792 50 5 FHBALN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058406072 571351181 /nfs/dbraw/zinc/35/11/81/571351181.db2.gz WPRYVQVLRDPQCT-ONGXEEELSA-N 0 2 372.233 3.644 50 5 FHBALN O=c1nc2n(-c3ccc4ccccc4c3)c3cccc(Cl)c3cc-2c(=O)[nH]1 ZINC000017198048 211181906 /nfs/dbraw/zinc/18/19/06/211181906.db2.gz YJWPUGNKMHWZHR-UHFFFAOYSA-N 0 2 373.799 3.985 50 5 FHBALN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012848551 210999500 /nfs/dbraw/zinc/99/95/00/210999500.db2.gz LDUPVCUJTAGBDY-CQSZACIVSA-N 0 2 369.402 3.887 50 5 FHBALN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000097992381 222219103 /nfs/dbraw/zinc/21/91/03/222219103.db2.gz JCDYKTHFYIJEFW-XFFZJAGNSA-N 0 2 369.764 3.608 50 5 FHBALN CCOC(=O)c1ccccc1SCC(c1ccc(OC)cc1)[N+](=O)[O-] ZINC000000984788 571141504 /nfs/dbraw/zinc/14/15/04/571141504.db2.gz ZYPICBIUSADZND-MRXNPFEDSA-N 0 2 361.419 3.982 50 5 FHBALN CCOC(=O)c1ccccc1SC[C@H](c1ccc(OC)cc1)[N+](=O)[O-] ZINC000000984788 571141507 /nfs/dbraw/zinc/14/15/07/571141507.db2.gz ZYPICBIUSADZND-MRXNPFEDSA-N 0 2 361.419 3.982 50 5 FHBALN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000012620713 571204047 /nfs/dbraw/zinc/20/40/47/571204047.db2.gz GPTCWWQEGWVALD-LBPRGKRZSA-N 0 2 364.810 3.921 50 5 FHBALN Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)cs1 ZINC000012615597 571191483 /nfs/dbraw/zinc/19/14/83/571191483.db2.gz SUDFMEWTFXKSJH-UHFFFAOYSA-N 0 2 369.402 3.662 50 5 FHBALN O=c1c2sc3ccc([N+](=O)[O-])cc3c2[nH]c(=S)n1Cc1cccnc1 ZINC000102724205 570836053 /nfs/dbraw/zinc/83/60/53/570836053.db2.gz ZJXBPKSGCLXDNM-UHFFFAOYSA-N 0 2 370.415 3.625 50 5 FHBALN COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc1-2 ZINC000002830700 571341248 /nfs/dbraw/zinc/34/12/48/571341248.db2.gz XMEXXJBFDAUHJE-UHFFFAOYSA-N 0 2 367.386 3.883 50 5 FHBALN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 ZINC000072313299 571106921 /nfs/dbraw/zinc/10/69/21/571106921.db2.gz KUTSTTSNLPGWON-UHFFFAOYSA-N 0 2 371.574 3.969 50 5 FHBALN CCOC(=O)c1ccccc1SCC(c1ccccc1OC)[N+](=O)[O-] ZINC000000984785 571141580 /nfs/dbraw/zinc/14/15/80/571141580.db2.gz MDTWXBLFWOHKIA-HNNXBMFYSA-N 0 2 361.419 3.982 50 5 FHBALN Cc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491906 211283885 /nfs/dbraw/zinc/28/38/85/211283885.db2.gz BTDHKNIYBDNWKR-UHFFFAOYSA-N 0 2 365.798 3.839 50 5 FHBALN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000079105400 571326981 /nfs/dbraw/zinc/32/69/81/571326981.db2.gz GISSIQYDXJVIFK-UHFFFAOYSA-N 0 2 357.391 3.561 50 5 FHBALN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000038311921 210186292 /nfs/dbraw/zinc/18/62/92/210186292.db2.gz VVZSOZUVHDPYCD-GHXNOFRVSA-N 0 2 369.402 3.633 50 5 FHBALN O=c1c2cc(Cl)cc(Cl)c2nc(-c2ccc([N+](=O)[O-])cc2)n1O ZINC000001382192 210346953 /nfs/dbraw/zinc/34/69/53/210346953.db2.gz PNTPUTUPILUAFN-UHFFFAOYSA-N 0 2 352.133 3.516 50 5 FHBALN CC(=O)C(=C(O)c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100369747 222243242 /nfs/dbraw/zinc/24/32/42/222243242.db2.gz ACMKMDUVJJPVMH-OAHLLOKOSA-N 0 2 362.725 3.712 50 5 FHBALN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000084557016 571089119 /nfs/dbraw/zinc/08/91/19/571089119.db2.gz IBDHBUJWPOOWQF-JSGCOSHPSA-N 0 2 355.375 3.692 50 5 FHBALN O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000033293724 571231211 /nfs/dbraw/zinc/23/12/11/571231211.db2.gz DLNGYWXTCZQNBJ-OVCLIPMQSA-N 0 2 374.349 3.676 50 5 FHBALN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000002760976 571340800 /nfs/dbraw/zinc/34/08/00/571340800.db2.gz ARMPFYYGQAYBMY-UHFFFAOYSA-N 0 2 369.811 3.659 50 5 FHBALN Cc1nn(C)c(C)c1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000023200273 211380292 /nfs/dbraw/zinc/38/02/92/211380292.db2.gz OJLMTCBEWSRTFZ-UHFFFAOYSA-N 0 2 365.393 3.941 50 5 FHBALN O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1F ZINC000006510004 571206134 /nfs/dbraw/zinc/20/61/34/571206134.db2.gz HWQMWLGKVDYUCZ-UHFFFAOYSA-N 0 2 365.169 3.842 50 5 FHBALN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000004809530 571237286 /nfs/dbraw/zinc/23/72/86/571237286.db2.gz VWESZLIHNIBJEU-UHFFFAOYSA-N 0 2 370.814 3.756 50 5 FHBALN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058406071 221117612 /nfs/dbraw/zinc/11/76/12/221117612.db2.gz WPRYVQVLRDPQCT-KOLCDFICSA-N 0 2 372.233 3.644 50 5 FHBALN CCOC(=O)c1ccccc1SCC(c1ccccc1OC)[N+](=O)[O-] ZINC000000984786 571141557 /nfs/dbraw/zinc/14/15/57/571141557.db2.gz MDTWXBLFWOHKIA-OAHLLOKOSA-N 0 2 361.419 3.982 50 5 FHBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000003328494 571347483 /nfs/dbraw/zinc/34/74/83/571347483.db2.gz PIFBSFBBFLJWMP-UHFFFAOYSA-N 0 2 368.414 3.986 50 5 FHBALN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012848557 220035127 /nfs/dbraw/zinc/03/51/27/220035127.db2.gz LDUPVCUJTAGBDY-AWEZNQCLSA-N 0 2 369.402 3.887 50 5 FHBALN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC000004180420 571356539 /nfs/dbraw/zinc/35/65/39/571356539.db2.gz HOTWMRORRVZVOV-MDZDMXLPSA-N 0 2 359.341 3.861 50 5 FHBALN O=C1c2ccccc2N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000024210679 570624627 /nfs/dbraw/zinc/62/46/27/570624627.db2.gz LURKLNYDUOPGDG-GOSISDBHSA-N 0 2 365.345 3.660 50 5 FHBALN O=c1c2sc3ccc([N+](=O)[O-])cc3c2[nH]c(=S)n1Cc1ccco1 ZINC000102724019 570835987 /nfs/dbraw/zinc/83/59/87/570835987.db2.gz PHFICGWEBWERCP-UHFFFAOYSA-N 0 2 359.388 3.823 50 5 FHBALN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006623418 571237434 /nfs/dbraw/zinc/23/74/34/571237434.db2.gz PRBALDYWAXMWEK-UHFFFAOYSA-N 0 2 364.276 3.554 50 5 FHBALN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000036230970 571245520 /nfs/dbraw/zinc/24/55/20/571245520.db2.gz KQIGSECKWQNHKD-UHFFFAOYSA-N 0 2 357.366 3.537 50 5 FHBALN O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000015010132 220141557 /nfs/dbraw/zinc/14/15/57/220141557.db2.gz DLNGYWXTCZQNBJ-NVNXTCNLSA-N 0 2 374.349 3.676 50 5 FHBALN CC(=O)C(=C(O)c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100369745 222242634 /nfs/dbraw/zinc/24/26/34/222242634.db2.gz ACMKMDUVJJPVMH-HNNXBMFYSA-N 0 2 362.725 3.712 50 5 FHBALN CCCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000007323982 571264415 /nfs/dbraw/zinc/26/44/15/571264415.db2.gz URRQRGCHOOLQTF-UHFFFAOYSA-N 0 2 364.423 3.801 50 5 FHBALN O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc2cccc3c2c1CC3 ZINC000007719115 571286475 /nfs/dbraw/zinc/28/64/75/571286475.db2.gz IQQFVSWHTRNKRN-UHFFFAOYSA-N 0 2 354.387 3.647 50 5 FHBALN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc([N+](=O)[O-])s1 ZINC000002641596 571339848 /nfs/dbraw/zinc/33/98/48/571339848.db2.gz SKZZYQSEIDQRLU-UHFFFAOYSA-N 0 2 356.772 3.674 50 5 FHBALN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000012620710 220014346 /nfs/dbraw/zinc/01/43/46/220014346.db2.gz GPTCWWQEGWVALD-GFCCVEGCSA-N 0 2 364.810 3.921 50 5 FHBALN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)ccc1O ZINC000004014146 571191060 /nfs/dbraw/zinc/19/10/60/571191060.db2.gz SXJSCCGBBWHBQL-UHFFFAOYSA-N 0 2 371.574 3.969 50 5 FHBALN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000036329881 571248141 /nfs/dbraw/zinc/24/81/41/571248141.db2.gz JCDYKTHFYIJEFW-YRNVUSSQSA-N 0 2 369.764 3.608 50 5 FHBALN CSc1cccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000020491954 220329997 /nfs/dbraw/zinc/32/99/97/220329997.db2.gz PQTPICKKEUEPAZ-UHFFFAOYSA-N 0 2 363.420 3.599 50 5 FHBALN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000058406074 221117325 /nfs/dbraw/zinc/11/73/25/221117325.db2.gz WPRYVQVLRDPQCT-GXSJLCMTSA-N 0 2 372.233 3.644 50 5 FHBALN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000069818068 221328509 /nfs/dbraw/zinc/32/85/09/221328509.db2.gz VVZSOZUVHDPYCD-KPKJPENVSA-N 0 2 369.402 3.633 50 5 FHBALN O=c1c2sc3ccc([N+](=O)[O-])cc3c2[nH]c(=S)n1Cc1ccccn1 ZINC000102724025 570836109 /nfs/dbraw/zinc/83/61/09/570836109.db2.gz PAQKAWFZXFEBKV-UHFFFAOYSA-N 0 2 370.415 3.625 50 5 FHBALN