smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000024079837 846785408 /nfs/dbraw/zinc/78/54/08/846785408.db2.gz UPBOCMKWVANADD-JOCHJYFZSA-N -1 0 419.437 4.118 20 5 HIBDRM COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000024080015 846785800 /nfs/dbraw/zinc/78/58/00/846785800.db2.gz SGMYGCBYZBHAQA-NRFANRHFSA-N -1 0 405.410 4.076 20 5 HIBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000436475184 861819254 /nfs/dbraw/zinc/81/92/54/861819254.db2.gz NKCBGRWLCLTOLY-UHFFFAOYSA-N -1 0 405.439 4.235 20 5 HIBDRM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436635701 861877352 /nfs/dbraw/zinc/87/73/52/861877352.db2.gz VNMKWNYGFQFOBV-UHFFFAOYSA-N -1 0 408.848 4.209 20 5 HIBDRM CCC(=O)c1ccc([O-])c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000436651329 861881693 /nfs/dbraw/zinc/88/16/93/861881693.db2.gz DWUPCMMCCWIYKG-UHFFFAOYSA-N -1 0 400.434 4.092 20 5 HIBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000436781049 861971929 /nfs/dbraw/zinc/97/19/29/861971929.db2.gz AVGHTQJQYGLTOQ-UHFFFAOYSA-N -1 0 405.248 4.083 20 5 HIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000436781661 861973844 /nfs/dbraw/zinc/97/38/44/861973844.db2.gz DZDJGQGVIYDXGW-UHFFFAOYSA-N -1 0 405.248 4.083 20 5 HIBDRM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436801075 861991027 /nfs/dbraw/zinc/99/10/27/861991027.db2.gz AAABTFZBZAMDLK-UHFFFAOYSA-N -1 0 402.366 4.288 20 5 HIBDRM Cc1cc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c3c(C)noc3n2)c(C)o1 ZINC000436851150 862031046 /nfs/dbraw/zinc/03/10/46/862031046.db2.gz KAGVYQUOWYJHNW-UHFFFAOYSA-N -1 0 408.370 4.274 20 5 HIBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2)c2cc(Br)ccc21 ZINC000436907140 862083860 /nfs/dbraw/zinc/08/38/60/862083860.db2.gz XKFJJQIBAQKOCB-UHFFFAOYSA-N -1 0 403.232 4.145 20 5 HIBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000436936556 862114299 /nfs/dbraw/zinc/11/42/99/862114299.db2.gz UJLLEAJDQIEJAY-UHFFFAOYSA-N -1 0 424.375 4.250 20 5 HIBDRM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955025 862136611 /nfs/dbraw/zinc/13/66/11/862136611.db2.gz CFQWUGMCROKYCL-UHFFFAOYSA-N -1 0 412.373 4.279 20 5 HIBDRM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000436964507 862143337 /nfs/dbraw/zinc/14/33/37/862143337.db2.gz JBIRBUUTEGULEX-UHFFFAOYSA-N -1 0 405.838 4.125 20 5 HIBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436969440 862148518 /nfs/dbraw/zinc/14/85/18/862148518.db2.gz IRHGDJOQRRJEFC-INIZCTEOSA-N -1 0 412.833 4.321 20 5 HIBDRM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436972689 862151066 /nfs/dbraw/zinc/15/10/66/862151066.db2.gz UQWGUBWNAUKROW-CQSZACIVSA-N -1 0 407.264 4.156 20 5 HIBDRM CC(C)N1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436979293 862157537 /nfs/dbraw/zinc/15/75/37/862157537.db2.gz LICHAWQAQINDBE-VQIMIIECSA-N -1 0 421.856 4.047 20 5 HIBDRM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436982388 862159561 /nfs/dbraw/zinc/15/95/61/862159561.db2.gz XHLUAZKLVPHNQN-CYBMUJFWSA-N -1 0 408.254 4.353 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1Cc1ccc(C)cc1 ZINC000066001112 852351413 /nfs/dbraw/zinc/35/14/13/852351413.db2.gz HXVLRGKWKBOWID-UHFFFAOYSA-N -1 0 409.514 4.121 20 5 HIBDRM Cc1sc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000109565749 852986277 /nfs/dbraw/zinc/98/62/77/852986277.db2.gz SIDKMGANJPTODZ-UHFFFAOYSA-N -1 0 417.468 4.018 20 5 HIBDRM O=C([O-])c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc([N+](=O)[O-])c1 ZINC000238180051 854151865 /nfs/dbraw/zinc/15/18/65/854151865.db2.gz HOSXPBFBNVPIEM-UHFFFAOYSA-N -1 0 423.347 4.164 20 5 HIBDRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000409535960 855529501 /nfs/dbraw/zinc/52/95/01/855529501.db2.gz ODXMEAMTMJRHRK-SECBINFHSA-N -1 0 401.897 4.020 20 5 HIBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3)nn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000409624800 855570553 /nfs/dbraw/zinc/57/05/53/855570553.db2.gz MYZYMZLXKXQJJI-UHFFFAOYSA-N -1 0 424.438 4.150 20 5 HIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409891461 855709424 /nfs/dbraw/zinc/70/94/24/855709424.db2.gz GTFASSDOYWPOKT-HWPZZCPQSA-N -1 0 415.204 4.463 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c2ncccc12 ZINC000410326969 855930102 /nfs/dbraw/zinc/93/01/02/855930102.db2.gz QDLWYSCJBMEMBX-UHFFFAOYSA-N -1 0 414.830 4.145 20 5 HIBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410358980 855948816 /nfs/dbraw/zinc/94/88/16/855948816.db2.gz JMOZWZNIFUOZJD-UHFFFAOYSA-N -1 0 419.684 4.428 20 5 HIBDRM O=C([O-])C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1F ZINC000426830907 856504482 /nfs/dbraw/zinc/50/44/82/856504482.db2.gz BVCDSZJVYXTVPQ-KRWDZBQOSA-N -1 0 419.409 4.302 20 5 HIBDRM Cc1ccc(F)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1Br ZINC000427091847 856631056 /nfs/dbraw/zinc/63/10/56/856631056.db2.gz GJUSMBHCYCSYIJ-UHFFFAOYSA-N -1 0 403.591 4.416 20 5 HIBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)ccc(Br)c1F ZINC000427097648 856634281 /nfs/dbraw/zinc/63/42/81/856634281.db2.gz VGPXWVQQQFTERB-UHFFFAOYSA-N -1 0 407.554 4.247 20 5 HIBDRM COCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc(C(=O)[O-])c1 ZINC000427676902 856905765 /nfs/dbraw/zinc/90/57/65/856905765.db2.gz IDLSAYLWAYGSOM-UHFFFAOYSA-N -1 0 404.444 4.192 20 5 HIBDRM COc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc(OC)c1C ZINC000431180275 858490018 /nfs/dbraw/zinc/49/00/18/858490018.db2.gz ORSDIURASRNOML-UHFFFAOYSA-N -1 0 421.258 4.028 20 5 HIBDRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000431999811 858914792 /nfs/dbraw/zinc/91/47/92/858914792.db2.gz DYAMYEZZQLAVSU-UHFFFAOYSA-N -1 0 422.387 4.229 20 5 HIBDRM C[C@@H](Cc1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1)C(=O)[O-] ZINC000432001505 858916459 /nfs/dbraw/zinc/91/64/59/858916459.db2.gz QTPKHMAORVWLJX-LBPRGKRZSA-N -1 0 411.439 4.234 20 5 HIBDRM CC(C)c1cc(Br)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432128324 859006206 /nfs/dbraw/zinc/00/62/06/859006206.db2.gz DQUCFEKELXJWRG-UHFFFAOYSA-N -1 0 407.220 4.431 20 5 HIBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Nc2ccccc2)c([N+](=O)[O-])n1 ZINC000432454668 859170959 /nfs/dbraw/zinc/17/09/59/859170959.db2.gz NLFBFGNQNIGJIY-UHFFFAOYSA-N -1 0 421.866 4.009 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435127784 860653503 /nfs/dbraw/zinc/65/35/03/860653503.db2.gz AGYSFSOWIRWTGK-UHFFFAOYSA-N -1 0 401.469 4.250 20 5 HIBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] ZINC000446767489 870680524 /nfs/dbraw/zinc/68/05/24/870680524.db2.gz DLPLEWKSWCEEGT-UHFFFAOYSA-N -1 0 424.438 4.216 20 5 HIBDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)sc2c1 ZINC000446968125 870867777 /nfs/dbraw/zinc/86/77/77/870867777.db2.gz WHGLAEZHHZDVHS-UHFFFAOYSA-N -1 0 417.390 4.333 20 5 HIBDRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2n1 ZINC000446986303 870879946 /nfs/dbraw/zinc/87/99/46/870879946.db2.gz FMJYKTFRQRGIJE-UHFFFAOYSA-N -1 0 411.361 4.271 20 5 HIBDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446999672 870884287 /nfs/dbraw/zinc/88/42/87/870884287.db2.gz GQTCDTMNSODHND-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2F)nc1 ZINC000447272047 871157742 /nfs/dbraw/zinc/15/77/42/871157742.db2.gz UOICTUBOTFURKP-UHFFFAOYSA-N -1 0 403.391 4.030 20 5 HIBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c([N+](=O)[O-])c1 ZINC000447274695 871165270 /nfs/dbraw/zinc/16/52/70/871165270.db2.gz OLBZGNJDDVTZFV-UHFFFAOYSA-N -1 0 403.391 4.030 20 5 HIBDRM COc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(F)(F)F ZINC000447784804 871717346 /nfs/dbraw/zinc/71/73/46/871717346.db2.gz FUJPKXIARNNLGD-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)ccc1OCCC(=O)[O-] ZINC000460772097 873619389 /nfs/dbraw/zinc/61/93/89/873619389.db2.gz UNVSQIXSOJLSRS-XVNBXDOJSA-N -1 0 400.412 4.237 20 5 HIBDRM Cc1sc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nc1C(C)C ZINC000462142358 875241456 /nfs/dbraw/zinc/24/14/56/875241456.db2.gz VCJCKBZFNKINRS-UHFFFAOYSA-N -1 0 424.331 4.268 20 5 HIBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000462424518 875531399 /nfs/dbraw/zinc/53/13/99/875531399.db2.gz BLSBGFHMPJXAML-GFCCVEGCSA-N -1 0 419.311 4.417 20 5 HIBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000462703567 875789944 /nfs/dbraw/zinc/78/99/44/875789944.db2.gz LBZDIFYRCKMJDB-UHFFFAOYSA-N -1 0 418.368 4.110 20 5 HIBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)n1 ZINC000463787095 876906182 /nfs/dbraw/zinc/90/61/82/876906182.db2.gz AAPKBOBKPNICMF-UHFFFAOYSA-N -1 0 424.438 4.216 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1[N+](=O)[O-] ZINC000466975600 880779370 /nfs/dbraw/zinc/77/93/70/880779370.db2.gz DYLDBMZVUNZHRO-UHFFFAOYSA-N -1 0 420.497 4.142 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000466979063 880785386 /nfs/dbraw/zinc/78/53/86/880785386.db2.gz MGGLMRQGGASUPR-UHFFFAOYSA-N -1 0 423.497 4.079 20 5 HIBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000470436529 884835609 /nfs/dbraw/zinc/83/56/09/884835609.db2.gz OCKQVKJMMANLCX-UHFFFAOYSA-N -1 0 407.835 4.321 20 5 HIBDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1)c1ccccc1 ZINC000471517550 886220121 /nfs/dbraw/zinc/22/01/21/886220121.db2.gz DHNDWJYACLXZRL-AWEZNQCLSA-N -1 0 418.500 4.097 20 5 HIBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000471989996 886815985 /nfs/dbraw/zinc/81/59/85/886815985.db2.gz CMJIMRFCTUIACZ-UHFFFAOYSA-N -1 0 412.320 4.103 20 5 HIBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000474445444 889311607 /nfs/dbraw/zinc/31/16/07/889311607.db2.gz LZYZCZGXSKXLRP-UHFFFAOYSA-N -1 0 408.691 4.286 20 5 HIBDRM Cc1cc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)ccc1[N+](=O)[O-] ZINC000474665061 889529447 /nfs/dbraw/zinc/52/94/47/889529447.db2.gz BHXOWHSTTDVZDT-UHFFFAOYSA-N -1 0 421.434 4.188 20 5 HIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000474664603 889529477 /nfs/dbraw/zinc/52/94/77/889529477.db2.gz URPWCWRSBUWCPM-OAHLLOKOSA-N -1 0 412.389 4.250 20 5 HIBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000504712118 913445121 /nfs/dbraw/zinc/44/51/21/913445121.db2.gz MSOSWUUGALGQAM-BHQIHCQQSA-N -1 0 404.304 4.063 20 5 HIBDRM COc1cc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)cc([N+](=O)[O-])c1[O-] ZINC000478608051 893872673 /nfs/dbraw/zinc/87/26/73/893872673.db2.gz NTVIFCAXYIOKBA-UHFFFAOYSA-N -1 0 414.443 4.003 20 5 HIBDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000478707328 893971909 /nfs/dbraw/zinc/97/19/09/893971909.db2.gz YOUFSLRYVUNRPU-MRVPVSSYSA-N -1 0 405.263 4.006 20 5 HIBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000479009413 894276359 /nfs/dbraw/zinc/27/63/59/894276359.db2.gz JTHOFGNTYQKULX-UHFFFAOYSA-N -1 0 424.375 4.250 20 5 HIBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000479138631 894408545 /nfs/dbraw/zinc/40/85/45/894408545.db2.gz ZGFXFKSLGLRJCC-UHFFFAOYSA-N -1 0 418.393 4.430 20 5 HIBDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000479139675 894408760 /nfs/dbraw/zinc/40/87/60/894408760.db2.gz TZHJRXGYVXBRKA-UHFFFAOYSA-N -1 0 420.878 4.160 20 5 HIBDRM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000479765125 895065734 /nfs/dbraw/zinc/06/57/34/895065734.db2.gz CHFXTTMCYSZTGU-AWEZNQCLSA-N -1 0 407.264 4.156 20 5 HIBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c1C ZINC000479989153 895341598 /nfs/dbraw/zinc/34/15/98/895341598.db2.gz MKRHLOOZMZMHCC-UHFFFAOYSA-N -1 0 403.485 4.060 20 5 HIBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1C ZINC000479998513 895352319 /nfs/dbraw/zinc/35/23/19/895352319.db2.gz YVUZWBCFWRBBDS-UHFFFAOYSA-N -1 0 424.891 4.184 20 5 HIBDRM CCc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000480221316 895625721 /nfs/dbraw/zinc/62/57/21/895625721.db2.gz HPNJSPFVPKJBEI-UHFFFAOYSA-N -1 0 420.878 4.106 20 5 HIBDRM Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000483440058 899074269 /nfs/dbraw/zinc/07/42/69/899074269.db2.gz PGJGCDGIMGBQCI-LJQANCHMSA-N -1 0 419.437 4.109 20 5 HIBDRM O=C([O-])CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000485364321 900659918 /nfs/dbraw/zinc/65/99/18/900659918.db2.gz HQZYOGCZAVETEN-MRXNPFEDSA-N -1 0 411.439 4.054 20 5 HIBDRM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)sc1C ZINC000485396684 900694173 /nfs/dbraw/zinc/69/41/73/900694173.db2.gz YMFVBGTYLYTJBZ-UHFFFAOYSA-N -1 0 405.295 4.145 20 5 HIBDRM O=C([O-])c1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000485644976 900896495 /nfs/dbraw/zinc/89/64/95/900896495.db2.gz PPNJONZOCIUHGC-UHFFFAOYSA-N -1 0 420.381 4.189 20 5 HIBDRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000485649260 900900051 /nfs/dbraw/zinc/90/00/51/900900051.db2.gz UQSGYVQHTMUZGR-UHFFFAOYSA-N -1 0 412.423 4.108 20 5 HIBDRM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000485740337 900994963 /nfs/dbraw/zinc/99/49/63/900994963.db2.gz XGEXWGSIGWKWTA-AWEZNQCLSA-N -1 0 420.421 4.460 20 5 HIBDRM 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ZINC000436952978 862131377 /nfs/dbraw/zinc/13/13/77/862131377.db2.gz YZMYKHDCLNHLCN-UHFFFAOYSA-N -1 0 403.847 4.316 20 5 HIBDRM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436954038 862133607 /nfs/dbraw/zinc/13/36/07/862133607.db2.gz DFLVXDCSDLYFOE-UHFFFAOYSA-N -1 0 401.394 4.211 20 5 HIBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000436957025 862136877 /nfs/dbraw/zinc/13/68/77/862136877.db2.gz VJEFKDVMBDCMGE-UHFFFAOYSA-N -1 0 409.211 4.007 20 5 HIBDRM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436961754 862143098 /nfs/dbraw/zinc/14/30/98/862143098.db2.gz KLXYZXQHVUMPJE-HNNXBMFYSA-N -1 0 421.247 4.049 20 5 HIBDRM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)s2)cc1 ZINC000436965739 862145504 /nfs/dbraw/zinc/14/55/04/862145504.db2.gz OFZBYFKWPGDQDE-LLVKDONJSA-N -1 0 413.455 4.232 20 5 HIBDRM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967192 862146466 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Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1cccc(C)c1 ZINC000409540103 855532262 /nfs/dbraw/zinc/53/22/62/855532262.db2.gz YDKSGRBYHLAUOY-UHFFFAOYSA-N -1 0 403.485 4.060 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1Cc1cccc(C)c1 ZINC000409540466 855532321 /nfs/dbraw/zinc/53/23/21/855532321.db2.gz DBVKOGYJDGRYLA-UHFFFAOYSA-N -1 0 409.514 4.121 20 5 HIBDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000425963199 856019694 /nfs/dbraw/zinc/01/96/94/856019694.db2.gz BPZFEHFZVLEDRQ-UHFFFAOYSA-N -1 0 422.503 4.418 20 5 HIBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C(=O)[O-])cc1 ZINC000431545668 858664847 /nfs/dbraw/zinc/66/48/47/858664847.db2.gz NHQWEVUSHRJLLW-QGZVFWFLSA-N -1 0 402.472 4.002 20 5 HIBDRM Cc1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1C(=O)[O-] ZINC000431664148 858723388 /nfs/dbraw/zinc/72/33/88/858723388.db2.gz XETUHRPKXGNSPI-UHFFFAOYSA-N -1 0 408.360 4.218 20 5 HIBDRM O=C([O-])CCCOc1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000431773470 858805661 /nfs/dbraw/zinc/80/56/61/858805661.db2.gz BMTZHSUUCUPHBZ-UHFFFAOYSA-N -1 0 424.862 4.223 20 5 HIBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431852562 858839708 /nfs/dbraw/zinc/83/97/08/858839708.db2.gz ANQFJZBBZQPOED-ORAYPTAESA-N -1 0 410.451 4.171 20 5 HIBDRM Cc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])noc1-c1ccccc1F ZINC000433110477 859524917 /nfs/dbraw/zinc/52/49/17/859524917.db2.gz AURTWNFNRBRNPG-UHFFFAOYSA-N -1 0 405.407 4.115 20 5 HIBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)noc1-c1ccccc1F ZINC000433121588 859528976 /nfs/dbraw/zinc/52/89/76/859528976.db2.gz OCEZXCIPXWHVCL-UHFFFAOYSA-N -1 0 411.798 4.152 20 5 HIBDRM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000433742558 859869970 /nfs/dbraw/zinc/86/99/70/859869970.db2.gz PHLHZUBHDNORBG-ZDUSSCGKSA-N -1 0 418.302 4.015 20 5 HIBDRM Cc1cc(OCC(=O)Nc2cc(Br)cc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC000435798795 861069726 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STGWHGJWZQOAKK-UHFFFAOYSA-N -1 0 407.810 4.250 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000446967882 870867845 /nfs/dbraw/zinc/86/78/45/870867845.db2.gz UZGJDZIGMXGSAN-UHFFFAOYSA-N -1 0 414.283 4.433 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] ZINC000447269008 871154459 /nfs/dbraw/zinc/15/44/59/871154459.db2.gz ZCNIIXCIQDLEBR-UHFFFAOYSA-N -1 0 409.420 4.092 20 5 HIBDRM CCCC[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000461422061 874449937 /nfs/dbraw/zinc/44/99/37/874449937.db2.gz IOUZQMVCOCKDQJ-OAHLLOKOSA-N -1 0 419.503 4.046 20 5 HIBDRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1Br ZINC000468799217 882865519 /nfs/dbraw/zinc/86/55/19/882865519.db2.gz CXYVHTYGVHEZSR-UHFFFAOYSA-N -1 0 405.657 4.120 20 5 HIBDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1O ZINC000462107055 875215026 /nfs/dbraw/zinc/21/50/26/875215026.db2.gz YVCDVZYBBGOWBT-UHFFFAOYSA-N -1 0 411.650 4.370 20 5 HIBDRM 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COc1cc(S(=O)(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000469044169 883113885 /nfs/dbraw/zinc/11/38/85/883113885.db2.gz QXSRARAQLLZZIK-BQYQJAHWSA-N -1 0 417.468 4.031 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c2ncccc12 ZINC000464423396 877632351 /nfs/dbraw/zinc/63/23/51/877632351.db2.gz ZGLBLYQIMVISHK-UHFFFAOYSA-N -1 0 412.452 4.067 20 5 HIBDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000503301748 912285218 /nfs/dbraw/zinc/28/52/18/912285218.db2.gz KGGMUIMMSIONPR-UHFFFAOYSA-N -1 0 402.790 4.392 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000503432971 912434038 /nfs/dbraw/zinc/43/40/38/912434038.db2.gz XHPDJHCUFFQJIR-UHFFFAOYSA-N -1 0 408.439 4.043 20 5 HIBDRM CCCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnn1-c1cccc(F)c1 ZINC000466965413 880761721 /nfs/dbraw/zinc/76/17/21/880761721.db2.gz UNZMYPGHEYUVMU-UHFFFAOYSA-N -1 0 424.479 4.043 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000466968563 880766949 /nfs/dbraw/zinc/76/69/49/880766949.db2.gz ZOTBAIIBUPSLKV-UHFFFAOYSA-N -1 0 410.395 4.015 20 5 HIBDRM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000469128354 883224101 /nfs/dbraw/zinc/22/41/01/883224101.db2.gz ZKPBWANUAPJMEY-UHFFFAOYSA-N -1 0 413.436 4.060 20 5 HIBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000471565927 886276463 /nfs/dbraw/zinc/27/64/63/886276463.db2.gz KYKZFTKZMJYBCZ-CYBMUJFWSA-N -1 0 420.878 4.163 20 5 HIBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000471582066 886293215 /nfs/dbraw/zinc/29/32/15/886293215.db2.gz SGLOEBMVDXOGOJ-MRXNPFEDSA-N -1 0 414.487 4.127 20 5 HIBDRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000471990785 886817793 /nfs/dbraw/zinc/81/77/93/886817793.db2.gz GFXTXVNDSXNATN-UHFFFAOYSA-N -1 0 420.487 4.243 20 5 HIBDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s[n-]1 ZINC000472289204 887108011 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HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)c(Cl)c1 ZINC000486568391 901713760 /nfs/dbraw/zinc/71/37/60/901713760.db2.gz SNMIGNVVAKJANR-UHFFFAOYSA-N -1 0 414.226 4.357 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cn2)s1 ZINC000488458835 902835225 /nfs/dbraw/zinc/83/52/25/902835225.db2.gz FQJZMAPXJSWENM-UHFFFAOYSA-N -1 0 411.848 4.298 20 5 HIBDRM O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000490563581 904102211 /nfs/dbraw/zinc/10/22/11/904102211.db2.gz GFDYELHDLKFEFT-UHFFFAOYSA-N -1 0 400.337 4.410 20 5 HIBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000491060099 904403482 /nfs/dbraw/zinc/40/34/82/904403482.db2.gz MMOWDTAQKCVNSX-UHFFFAOYSA-N -1 0 413.185 4.304 20 5 HIBDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)s2)c(C)c1 ZINC000493104913 905020679 /nfs/dbraw/zinc/02/06/79/905020679.db2.gz KMHNAMAXCSRIHZ-UHFFFAOYSA-N -1 0 418.500 4.148 20 5 HIBDRM 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861472088 /nfs/dbraw/zinc/47/20/88/861472088.db2.gz CAXWZZBRZDNTIC-UHFFFAOYSA-N -1 0 400.243 4.492 20 5 HIBDRM CCOc1ccc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)sc2c1 ZINC000007325317 845311091 /nfs/dbraw/zinc/31/10/91/845311091.db2.gz GLHLFTWHRIZYHJ-UHFFFAOYSA-N -1 0 407.473 4.021 20 5 HIBDRM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007505332 845348498 /nfs/dbraw/zinc/34/84/98/845348498.db2.gz XSQIPMMXHSHXDV-UHFFFAOYSA-N -1 0 404.366 4.203 20 5 HIBDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] ZINC000025143928 846934178 /nfs/dbraw/zinc/93/41/78/846934178.db2.gz LUBOBTMYPBJOTD-UHFFFAOYSA-N -1 0 422.406 4.059 20 5 HIBDRM CCCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000025347816 846965564 /nfs/dbraw/zinc/96/55/64/846965564.db2.gz AHGPFUNXBMKULA-HNNXBMFYSA-N -1 0 419.503 4.094 20 5 HIBDRM COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000035601148 848144732 /nfs/dbraw/zinc/14/47/32/848144732.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@@H]3C)cc2C)c([N+](=O)[O-])c1 ZINC000467429316 881222557 /nfs/dbraw/zinc/22/25/57/881222557.db2.gz OTBGUHKECOHKJK-HNNXBMFYSA-N -1 0 419.503 4.091 20 5 HIBDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000469127482 883224049 /nfs/dbraw/zinc/22/40/49/883224049.db2.gz ZDCIAHVTQKGYFN-UHFFFAOYSA-N -1 0 422.503 4.418 20 5 HIBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000470437009 884835337 /nfs/dbraw/zinc/83/53/37/884835337.db2.gz RTYNKWVIXXEDQC-UHFFFAOYSA-N -1 0 409.222 4.051 20 5 HIBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000471569064 886279292 /nfs/dbraw/zinc/27/92/92/886279292.db2.gz FMOWKYIUEDGDPY-MRXNPFEDSA-N -1 0 414.487 4.127 20 5 HIBDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000471928215 886720170 /nfs/dbraw/zinc/72/01/70/886720170.db2.gz QUCROEVZLBBVEC-UHFFFAOYSA-N -1 0 422.260 4.015 20 5 HIBDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 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GSYAAHHNVHRWQS-UHFFFAOYSA-N -1 0 422.260 4.153 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)cc1 ZINC000485100146 900409666 /nfs/dbraw/zinc/40/96/66/900409666.db2.gz DPLFYTHJTHEYBU-UHFFFAOYSA-N -1 0 420.393 4.253 20 5 HIBDRM CSCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000485148973 900448521 /nfs/dbraw/zinc/44/85/21/900448521.db2.gz WWLLRPQWCQRUJP-UHFFFAOYSA-N -1 0 417.306 4.021 20 5 HIBDRM CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000505787649 914454079 /nfs/dbraw/zinc/45/40/79/914454079.db2.gz PHBRGWNBHFMKKU-UHFFFAOYSA-N -1 0 423.425 4.207 20 5 HIBDRM O=C([O-])c1ccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1Cl ZINC000485460172 900754842 /nfs/dbraw/zinc/75/48/42/900754842.db2.gz HAKVWRKPQVHDMZ-UHFFFAOYSA-N -1 0 418.711 4.140 20 5 HIBDRM COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000485733539 900987107 /nfs/dbraw/zinc/98/71/07/900987107.db2.gz BISYJDHCROINMX-UHFFFAOYSA-N -1 0 414.458 4.033 20 5 HIBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000486130636 901318106 /nfs/dbraw/zinc/31/81/06/901318106.db2.gz RXESEFMFEMVLDO-UHFFFAOYSA-N -1 0 410.304 4.420 20 5 HIBDRM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2cccc(Cl)c2)no1 ZINC000499289161 908662333 /nfs/dbraw/zinc/66/23/33/908662333.db2.gz PQDHTWUDLCCNQL-UHFFFAOYSA-N -1 0 415.789 4.317 20 5 HIBDRM COc1ccc(-c2nc(C)c(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)s2)c(F)c1 ZINC000502874276 911876734 /nfs/dbraw/zinc/87/67/34/911876734.db2.gz CEPFPKJCDJYPJD-UHFFFAOYSA-N -1 0 403.391 4.132 20 5 HIBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506816059 915576013 /nfs/dbraw/zinc/57/60/13/915576013.db2.gz OVORSORAEANAHC-UHFFFAOYSA-N -1 0 423.647 4.259 20 5 HIBDRM Cc1cc([N+](=O)[O-])ccc1Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000507698003 916478597 /nfs/dbraw/zinc/47/85/97/916478597.db2.gz MOZNRHXVVNRJLH-UHFFFAOYSA-N -1 0 421.434 4.188 20 5 HIBDRM COc1ccc(COCc2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)cc1 ZINC000508167739 916990036 /nfs/dbraw/zinc/99/00/36/916990036.db2.gz XFRHGGGPRKQHDN-UHFFFAOYSA-N -1 0 408.410 4.278 20 5 HIBDRM CCOc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])ccc1OCC(F)(F)F ZINC000508599410 917368982 /nfs/dbraw/zinc/36/89/82/917368982.db2.gz RBZUIKAAKHZAJM-HWKANZROSA-N -1 0 412.320 4.198 20 5 HIBDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)cn1 ZINC000509384111 918049703 /nfs/dbraw/zinc/04/97/03/918049703.db2.gz FNKKOIQZMWHYBH-UHFFFAOYSA-N -1 0 413.455 4.083 20 5 HIBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 ZINC000509591069 918239326 /nfs/dbraw/zinc/23/93/26/918239326.db2.gz OISHPAYMCUGWKY-UHFFFAOYSA-N -1 0 417.468 4.018 20 5 HIBDRM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000509849558 918451889 /nfs/dbraw/zinc/45/18/89/918451889.db2.gz LOWBQYSGZGCQMS-MRXNPFEDSA-N -1 0 408.458 4.251 20 5 HIBDRM CO[C@H](C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)s[n-]1 ZINC000511128793 919742808 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/nfs/dbraw/zinc/76/76/27/939767627.db2.gz AKXYZHOSIFMHGN-SECBINFHSA-N -1 0 419.290 4.178 20 5 HIBDRM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000542732319 939857758 /nfs/dbraw/zinc/85/77/58/939857758.db2.gz DBCCUNQGGLUNCX-UHFFFAOYSA-N -1 0 408.476 4.109 20 5 HIBDRM CC(=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000543463225 940071904 /nfs/dbraw/zinc/07/19/04/940071904.db2.gz SNBPYLPKIJLUDP-SECBINFHSA-N -1 0 406.826 4.070 20 5 HIBDRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000543858444 940212504 /nfs/dbraw/zinc/21/25/04/940212504.db2.gz ZRIAOXDRTXUPGO-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000544743346 940509838 /nfs/dbraw/zinc/50/98/38/940509838.db2.gz WCEKMHRRMZDQBN-UHFFFAOYSA-N -1 0 415.496 4.149 20 5 HIBDRM Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000549532628 941198341 /nfs/dbraw/zinc/19/83/41/941198341.db2.gz VTQHINFFUQUMQC-LJQANCHMSA-N -1 0 420.391 4.496 20 5 HIBDRM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552293976 941623875 /nfs/dbraw/zinc/62/38/75/941623875.db2.gz AOLUCGOJBIYQKD-UHFFFAOYSA-N -1 0 407.156 4.139 20 5 HIBDRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554775794 942232575 /nfs/dbraw/zinc/23/25/75/942232575.db2.gz HFOXRSARSQGLED-UHFFFAOYSA-N -1 0 405.259 4.490 20 5 HIBDRM Cc1ccc2nc(COc3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cn2c1 ZINC000557118155 943024462 /nfs/dbraw/zinc/02/44/62/943024462.db2.gz MARCVCDJBDDXDO-UHFFFAOYSA-N -1 0 418.409 4.088 20 5 HIBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000016101109 846123539 /nfs/dbraw/zinc/12/35/39/846123539.db2.gz IRMUQJOLAVMEJM-UHFFFAOYSA-N -1 0 414.283 4.433 20 5 HIBDRM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000021360432 846433801 /nfs/dbraw/zinc/43/38/01/846433801.db2.gz CQYQZNVPCOIBIW-NRFANRHFSA-N -1 0 421.409 4.089 20 5 HIBDRM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000024080012 846785827 /nfs/dbraw/zinc/78/58/27/846785827.db2.gz SGMYGCBYZBHAQA-OAQYLSRUSA-N -1 0 405.410 4.076 20 5 HIBDRM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000036033944 848146281 /nfs/dbraw/zinc/14/62/81/848146281.db2.gz PDPOPTGUTHMWCA-SFHVURJKSA-N -1 0 401.422 4.344 20 5 HIBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436736258 861921198 /nfs/dbraw/zinc/92/11/98/861921198.db2.gz FZQIOKDVTLGCJA-UHFFFAOYSA-N -1 0 413.655 4.031 20 5 HIBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000436747296 861930890 /nfs/dbraw/zinc/93/08/90/861930890.db2.gz KOZANROBTZFVKQ-UHFFFAOYSA-N -1 0 415.858 4.276 20 5 HIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436772163 861964052 /nfs/dbraw/zinc/96/40/52/861964052.db2.gz MWGRCDUESJSVOH-KRWDZBQOSA-N -1 0 412.833 4.321 20 5 HIBDRM O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436802287 861991727 /nfs/dbraw/zinc/99/17/27/861991727.db2.gz BIUPCHOMINHITB-AWEZNQCLSA-N -1 0 413.430 4.370 20 5 HIBDRM O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436871781 862047478 /nfs/dbraw/zinc/04/74/78/862047478.db2.gz KZCNTMUNEDAMKF-GDLZYMKVSA-N -1 0 410.451 4.002 20 5 HIBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000056058353 850236232 /nfs/dbraw/zinc/23/62/32/850236232.db2.gz QDZUKCJIASMUCP-UHFFFAOYSA-N -1 0 417.468 4.018 20 5 HIBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000436952683 862131559 /nfs/dbraw/zinc/13/15/59/862131559.db2.gz XTSCQEUNZRMCQC-CQSZACIVSA-N -1 0 405.410 4.044 20 5 HIBDRM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958480 862138901 /nfs/dbraw/zinc/13/89/01/862138901.db2.gz HKRBPJIXOFHXJY-UHFFFAOYSA-N -1 0 416.821 4.055 20 5 HIBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436966117 862146139 /nfs/dbraw/zinc/14/61/39/862146139.db2.gz MESVYSCFFCNWHZ-OAQYLSRUSA-N -1 0 409.417 4.395 20 5 HIBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436969444 862148108 /nfs/dbraw/zinc/14/81/08/862148108.db2.gz IRHGDJOQRRJEFC-MRXNPFEDSA-N -1 0 412.833 4.321 20 5 HIBDRM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436971500 862150948 /nfs/dbraw/zinc/15/09/48/862150948.db2.gz JIGJHKDVDMEKHC-ZDUSSCGKSA-N -1 0 404.850 4.057 20 5 HIBDRM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436970971 862150987 /nfs/dbraw/zinc/15/09/87/862150987.db2.gz GZXDEOBVVMBNMR-UHFFFAOYSA-N -1 0 408.458 4.176 20 5 HIBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000436973609 862151023 /nfs/dbraw/zinc/15/10/23/862151023.db2.gz UOYUTDGMJUXYNW-GOSISDBHSA-N -1 0 410.405 4.197 20 5 HIBDRM 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855386281 /nfs/dbraw/zinc/38/62/81/855386281.db2.gz QAEZNKGLQAXAMQ-UHFFFAOYSA-N -1 0 405.657 4.120 20 5 HIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000320296647 855388696 /nfs/dbraw/zinc/38/86/96/855388696.db2.gz DIIIUCCMCGMWQK-UHFFFAOYSA-N -1 0 405.295 4.090 20 5 HIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c1C ZINC000409533757 855527526 /nfs/dbraw/zinc/52/75/26/855527526.db2.gz IKDFDUULKSYXRU-UHFFFAOYSA-N -1 0 421.475 4.199 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000409536830 855530502 /nfs/dbraw/zinc/53/05/02/855530502.db2.gz PPQARTFMLRGXLV-UHFFFAOYSA-N -1 0 421.475 4.199 20 5 HIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000409624168 855569631 /nfs/dbraw/zinc/56/96/31/855569631.db2.gz KUSDTLLOOPEWDP-UHFFFAOYSA-N -1 0 424.438 4.150 20 5 HIBDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C)c([N+](=O)[O-])cc3C)c2)n1 ZINC000410342808 855939161 /nfs/dbraw/zinc/93/91/61/855939161.db2.gz 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894048654 /nfs/dbraw/zinc/04/86/54/894048654.db2.gz PVDDRGFKHYEBQQ-UHFFFAOYSA-N -1 0 424.375 4.250 20 5 HIBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000505275561 913932342 /nfs/dbraw/zinc/93/23/42/913932342.db2.gz UQCFVBIUOHPFTE-UHFFFAOYSA-N -1 0 424.784 4.299 20 5 HIBDRM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000479788426 895091838 /nfs/dbraw/zinc/09/18/38/895091838.db2.gz YXKPLNQRFBKCOM-CQSZACIVSA-N -1 0 407.264 4.156 20 5 HIBDRM CCc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C(CC)CC ZINC000480243161 895651102 /nfs/dbraw/zinc/65/11/02/895651102.db2.gz DHKVQVUAPKWHBU-UHFFFAOYSA-N -1 0 400.888 4.169 20 5 HIBDRM O=C(CSCc1ccc(Br)cc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483433319 899064772 /nfs/dbraw/zinc/06/47/72/899064772.db2.gz BEPOCCXIBUQMAW-UHFFFAOYSA-N -1 0 415.240 4.074 20 5 HIBDRM Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483443075 899078189 /nfs/dbraw/zinc/07/81/89/899078189.db2.gz 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Cc1sc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])nc1-c1c(F)cc(F)cc1F ZINC000486213780 901397566 /nfs/dbraw/zinc/39/75/66/901397566.db2.gz KVIJQIGGINWUAN-UHFFFAOYSA-N -1 0 409.345 4.402 20 5 HIBDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(-c2ccccc2F)n1 ZINC000490611488 904135845 /nfs/dbraw/zinc/13/58/45/904135845.db2.gz ZBWMLMZQRAEDQO-UHFFFAOYSA-N -1 0 401.419 4.479 20 5 HIBDRM O=C([N-]c1nnc(C(F)F)s1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000495126057 906257209 /nfs/dbraw/zinc/25/72/09/906257209.db2.gz BCSUZEZOAMJJES-UHFFFAOYSA-N -1 0 406.370 4.215 20 5 HIBDRM CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1csc(-c2ccccc2F)n1 ZINC000499070452 908437272 /nfs/dbraw/zinc/43/72/72/908437272.db2.gz ILNKSTUKCHIGIN-UHFFFAOYSA-N -1 0 401.419 4.479 20 5 HIBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000507766821 916552969 /nfs/dbraw/zinc/55/29/69/916552969.db2.gz PDQSQGBPKPGWOS-ZDUSSCGKSA-N -1 0 423.400 4.183 20 5 HIBDRM 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ZINC000513787972 922114228 /nfs/dbraw/zinc/11/42/28/922114228.db2.gz IQPCNXCVPRCWIP-UHFFFAOYSA-N -1 0 415.496 4.391 20 5 HIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000513787559 922114677 /nfs/dbraw/zinc/11/46/77/922114677.db2.gz ATNNKAKTJHDHCJ-UHFFFAOYSA-N -1 0 415.496 4.391 20 5 HIBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)c([N+](=O)[O-])c1 ZINC000518868701 927577898 /nfs/dbraw/zinc/57/78/98/927577898.db2.gz AXQNNWHPYSMOQW-UHFFFAOYSA-N -1 0 415.452 4.167 20 5 HIBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc(F)cc1 ZINC000519891281 928125068 /nfs/dbraw/zinc/12/50/68/928125068.db2.gz QMJGTSJZLXTJKH-INIZCTEOSA-N -1 0 410.423 4.002 20 5 HIBDRM CC(Sc1ccc([N+](=O)[O-])cc1)=C([O-])Nc1nc(-c2ccccc2Cl)ns1 ZINC000520321418 928483929 /nfs/dbraw/zinc/48/39/29/928483929.db2.gz PXSICIAAODTCBC-JTQLQIEISA-N -1 0 420.903 4.308 20 5 HIBDRM CC(C)(C)c1nc(=NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s[n-]1 ZINC000520549955 928634711 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ANDHCLIHZCTODR-ZHACJKMWSA-N -1 0 415.496 4.206 20 5 HIBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000538753713 938702756 /nfs/dbraw/zinc/70/27/56/938702756.db2.gz CMFLLTATSYRRGR-UHFFFAOYSA-N -1 0 406.847 4.349 20 5 HIBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000538855825 938725846 /nfs/dbraw/zinc/72/58/46/938725846.db2.gz QNNLFNBTXCXIED-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000538870860 938728728 /nfs/dbraw/zinc/72/87/28/938728728.db2.gz CCRUNFLKIJMROA-UHFFFAOYSA-N -1 0 406.826 4.126 20 5 HIBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])nnn1-c1ccc(-c2ccccc2)cc1 ZINC000538871907 938728753 /nfs/dbraw/zinc/72/87/53/938728753.db2.gz AMBQIRNNOBILKA-UHFFFAOYSA-N -1 0 415.409 4.109 20 5 HIBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000539599597 938886124 /nfs/dbraw/zinc/88/61/24/938886124.db2.gz UKHFNGCLRIJQEJ-UHFFFAOYSA-N -1 0 424.438 4.216 20 5 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CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436963704 862143980 /nfs/dbraw/zinc/14/39/80/862143980.db2.gz FQYXUJMFOMGNFB-CYBMUJFWSA-N -1 0 407.264 4.156 20 5 HIBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436977497 862156984 /nfs/dbraw/zinc/15/69/84/862156984.db2.gz FUOUVXDCHJKGFE-OAQYLSRUSA-N -1 0 409.417 4.395 20 5 HIBDRM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436982497 862161960 /nfs/dbraw/zinc/16/19/60/862161960.db2.gz XMRTWFDLVRSPMD-UHFFFAOYSA-N -1 0 416.262 4.083 20 5 HIBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCSc2ccc(Br)cc21 ZINC000436992141 862167959 /nfs/dbraw/zinc/16/79/59/862167959.db2.gz XQYDRAFKFVNINH-CQSZACIVSA-N -1 0 423.288 4.372 20 5 HIBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436996114 862170371 /nfs/dbraw/zinc/17/03/71/862170371.db2.gz BEEBWUIDTQJBEN-KRWDZBQOSA-N -1 0 424.375 4.312 20 5 HIBDRM 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ZINC000146926133 853578782 /nfs/dbraw/zinc/57/87/82/853578782.db2.gz CMMRCXVMOJYYPZ-GFCCVEGCSA-N -1 0 408.785 4.220 20 5 HIBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000195684353 853756985 /nfs/dbraw/zinc/75/69/85/853756985.db2.gz BGRIVBSFACLNBI-UHFFFAOYSA-N -1 0 424.784 4.467 20 5 HIBDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236606223 853902702 /nfs/dbraw/zinc/90/27/02/853902702.db2.gz WCHNXFWLLURXBQ-MRXNPFEDSA-N -1 0 404.850 4.492 20 5 HIBDRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1Cl ZINC000238194483 854151654 /nfs/dbraw/zinc/15/16/54/854151654.db2.gz BVHGBANZBDBRLA-UHFFFAOYSA-N -1 0 403.803 4.322 20 5 HIBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)cc1[N+](=O)[O-] ZINC000328435225 855422768 /nfs/dbraw/zinc/42/27/68/855422768.db2.gz VWHTXJFXAQSREN-UHFFFAOYSA-N -1 0 422.260 4.015 20 5 HIBDRM Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1C ZINC000409504585 855513125 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O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469445443 883641840 /nfs/dbraw/zinc/64/18/40/883641840.db2.gz BXASTRFIEMCJEF-IBGZPJMESA-N -1 0 401.422 4.344 20 5 HIBDRM O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469875526 884064361 /nfs/dbraw/zinc/06/43/61/884064361.db2.gz WBPJRZSZOQULKX-UHFFFAOYSA-N -1 0 402.366 4.288 20 5 HIBDRM CC(C)Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000503968213 912889295 /nfs/dbraw/zinc/88/92/95/912889295.db2.gz KGRKNQQJOJXECQ-UHFFFAOYSA-N -1 0 418.450 4.054 20 5 HIBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000470875794 885363408 /nfs/dbraw/zinc/36/34/08/885363408.db2.gz KIUJMSGXHNIMHH-UHFFFAOYSA-N -1 0 412.471 4.423 20 5 HIBDRM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)cc1 ZINC000504541991 913320404 /nfs/dbraw/zinc/32/04/04/913320404.db2.gz MBOBQMGJFBYUBS-UHFFFAOYSA-N -1 0 421.409 4.204 20 5 HIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000475805587 890740277 /nfs/dbraw/zinc/74/02/77/890740277.db2.gz FYIQBCBRITUFRZ-UHFFFAOYSA-N -1 0 421.372 4.126 20 5 HIBDRM COc1cc(CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000505192878 913874131 /nfs/dbraw/zinc/87/41/31/913874131.db2.gz CRVCYCKSWPVOJN-UHFFFAOYSA-N -1 0 422.437 4.160 20 5 HIBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2[N+](=O)[O-])C1 ZINC000479558142 894856873 /nfs/dbraw/zinc/85/68/73/894856873.db2.gz QFEYFCZFODHXFI-CHWSQXEVSA-N -1 0 415.421 4.167 20 5 HIBDRM CCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000480023139 895372958 /nfs/dbraw/zinc/37/29/58/895372958.db2.gz YDOPXUXQWYWFAY-UHFFFAOYSA-N -1 0 418.393 4.430 20 5 HIBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000480220542 895625394 /nfs/dbraw/zinc/62/53/94/895625394.db2.gz FBMJCDJZVBKZBE-HHHXNRCGSA-N -1 0 424.544 4.060 20 5 HIBDRM 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HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Oc2cccnc2)s1 ZINC000063913044 851792748 /nfs/dbraw/zinc/79/27/48/851792748.db2.gz RCPPWPUBQHCAOP-UHFFFAOYSA-N -1 0 411.848 4.298 20 5 HIBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000071974420 852452335 /nfs/dbraw/zinc/45/23/35/852452335.db2.gz ISABFTZKIUQZQE-UHFFFAOYSA-N -1 0 413.455 4.456 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000108355071 852842078 /nfs/dbraw/zinc/84/20/78/852842078.db2.gz HBBNJMXHUAIIBS-UHFFFAOYSA-N -1 0 406.407 4.358 20 5 HIBDRM O=C([O-])c1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc([N+](=O)[O-])c1 ZINC000237993955 854129609 /nfs/dbraw/zinc/12/96/09/854129609.db2.gz XVWFEAUNYXSKPV-UHFFFAOYSA-N -1 0 402.366 4.089 20 5 HIBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237984250 854129768 /nfs/dbraw/zinc/12/97/68/854129768.db2.gz GLSSIUVIQWFXQN-LRQRDZAKSA-N -1 0 423.469 4.065 20 5 HIBDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000314127146 855374923 /nfs/dbraw/zinc/37/49/23/855374923.db2.gz FSTBFIYVPXIEIE-UHFFFAOYSA-N -1 0 405.657 4.120 20 5 HIBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000391791504 855461126 /nfs/dbraw/zinc/46/11/26/855461126.db2.gz MLFCANKIBAGWBN-UHFFFAOYSA-N -1 0 419.684 4.374 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1cccc(C)c1 ZINC000409540859 855533010 /nfs/dbraw/zinc/53/30/10/855533010.db2.gz JYRDRDCRGREVTG-UHFFFAOYSA-N -1 0 417.512 4.368 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1cccc(C)c1 ZINC000409541035 855533242 /nfs/dbraw/zinc/53/32/42/855533242.db2.gz MSIDXPFBSZLSNG-UHFFFAOYSA-N -1 0 417.512 4.368 20 5 HIBDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cccc1[N+](=O)[O-] ZINC000410356525 855946347 /nfs/dbraw/zinc/94/63/47/855946347.db2.gz WKLUWQIEVXMIHB-UHFFFAOYSA-N -1 0 405.657 4.120 20 5 HIBDRM O=C([O-])[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c(F)c1 ZINC000426758645 856461165 /nfs/dbraw/zinc/46/11/65/856461165.db2.gz IWLUJLJMNXAJST-MRXNPFEDSA-N -1 0 421.837 4.426 20 5 HIBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000437528194 862867879 /nfs/dbraw/zinc/86/78/79/862867879.db2.gz XEVWZRIZUDCUHS-QTLSWZBMSA-N -1 0 404.806 4.070 20 5 HIBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)s1 ZINC000431166450 858481789 /nfs/dbraw/zinc/48/17/89/858481789.db2.gz KGHPLVDEXVWMDK-UHFFFAOYSA-N -1 0 405.295 4.145 20 5 HIBDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)c(C)c1 ZINC000431314859 858559439 /nfs/dbraw/zinc/55/94/39/858559439.db2.gz VIALEILKKGCCIB-UHFFFAOYSA-N -1 0 424.891 4.184 20 5 HIBDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])s2)c1 ZINC000431324699 858565361 /nfs/dbraw/zinc/56/53/61/858565361.db2.gz XQYFAAVJIYRAAO-UHFFFAOYSA-N -1 0 418.500 4.148 20 5 HIBDRM COc1ccccc1C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C(=O)[O-] ZINC000431789387 858812582 /nfs/dbraw/zinc/81/25/82/858812582.db2.gz RVQPWHGWKDADBJ-GOSISDBHSA-N -1 0 414.461 4.070 20 5 HIBDRM CCCc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnn1-c1ccc(F)cc1 ZINC000432068370 858964632 /nfs/dbraw/zinc/96/46/32/858964632.db2.gz VKTZJKWIZAMJPV-UHFFFAOYSA-N -1 0 424.479 4.043 20 5 HIBDRM O=C([O-])c1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc([N+](=O)[O-])c1 ZINC000432120951 859001658 /nfs/dbraw/zinc/00/16/58/859001658.db2.gz SNINNKKWNLSNDI-UHFFFAOYSA-N -1 0 409.423 4.233 20 5 HIBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C(C)C)c1C ZINC000433124649 859529843 /nfs/dbraw/zinc/52/98/43/859529843.db2.gz FEKQOMOBCKJGQX-UHFFFAOYSA-N -1 0 404.448 4.050 20 5 HIBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C(C)C)cc1[N+](=O)[O-] ZINC000433162536 859548437 /nfs/dbraw/zinc/54/84/37/859548437.db2.gz URUREJKJNRYAQR-UHFFFAOYSA-N -1 0 404.448 4.050 20 5 HIBDRM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)noc1-c1ccccc1F ZINC000433179895 859556552 /nfs/dbraw/zinc/55/65/52/859556552.db2.gz YZIJHFWWWTXBRT-UHFFFAOYSA-N -1 0 405.407 4.115 20 5 HIBDRM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C1CCCC1 ZINC000435724462 861008240 /nfs/dbraw/zinc/00/82/40/861008240.db2.gz CHTDNZWSVPJJOU-UHFFFAOYSA-N -1 0 418.397 4.034 20 5 HIBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000443529824 868087215 /nfs/dbraw/zinc/08/72/15/868087215.db2.gz NDXMSIBOHOQSEN-UHFFFAOYSA-N -1 0 422.356 4.174 20 5 HIBDRM O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000444511859 868863801 /nfs/dbraw/zinc/86/38/01/868863801.db2.gz PKGPRHAGPOGMFC-UHFFFAOYSA-N -1 0 406.263 4.215 20 5 HIBDRM Cc1ccc(CS(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1 ZINC000446807667 870723389 /nfs/dbraw/zinc/72/33/89/870723389.db2.gz CUYMQLFPBJHIJD-UHFFFAOYSA-N -1 0 407.448 4.108 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c(C(F)(F)F)c1 ZINC000446949501 870858136 /nfs/dbraw/zinc/85/81/36/870858136.db2.gz VJCWWUWPWUYVJR-UHFFFAOYSA-N -1 0 423.372 4.476 20 5 HIBDRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O ZINC000446991730 870880959 /nfs/dbraw/zinc/88/09/59/870880959.db2.gz ZHDISMKHSKGUOU-UHFFFAOYSA-N -1 0 410.757 4.082 20 5 HIBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000461421885 874450568 /nfs/dbraw/zinc/45/05/68/874450568.db2.gz PHSOHCDDQMZSFL-UHFFFAOYSA-N -1 0 409.895 4.081 20 5 HIBDRM O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000468769215 882851755 /nfs/dbraw/zinc/85/17/55/882851755.db2.gz AOBNJAVDARYNHD-INIZCTEOSA-N -1 0 413.430 4.370 20 5 HIBDRM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462284745 875408922 /nfs/dbraw/zinc/40/89/22/875408922.db2.gz CEOMOZIANHZHFV-UHFFFAOYSA-N -1 0 419.286 4.124 20 5 HIBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000462444544 875552311 /nfs/dbraw/zinc/55/23/11/875552311.db2.gz CKNIWEKNBFTCGJ-CBAPKCEASA-N -1 0 421.224 4.301 20 5 HIBDRM 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ZINC000463787939 876906429 /nfs/dbraw/zinc/90/64/29/876906429.db2.gz DCYDPOVZIOUSLV-UHFFFAOYSA-N -1 0 422.422 4.131 20 5 HIBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)c2ncccc12 ZINC000464418429 877626710 /nfs/dbraw/zinc/62/67/10/877626710.db2.gz BJZXTBPZNOGTCH-UHFFFAOYSA-N -1 0 418.500 4.448 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000466963512 880754277 /nfs/dbraw/zinc/75/42/77/880754277.db2.gz KFNQXYDUUNGDGB-UHFFFAOYSA-N -1 0 410.395 4.015 20 5 HIBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000469204742 883304114 /nfs/dbraw/zinc/30/41/14/883304114.db2.gz UDDXGCRMMHLINS-MRXNPFEDSA-N -1 0 409.211 4.179 20 5 HIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504039701 912948118 /nfs/dbraw/zinc/94/81/18/912948118.db2.gz BXDPVRDDZCCONJ-UHFFFAOYSA-N -1 0 413.185 4.304 20 5 HIBDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000471582584 886294142 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ZINC000464411240 877616453 /nfs/dbraw/zinc/61/64/53/877616453.db2.gz YOICLVIKRBMBSU-UHFFFAOYSA-N -1 0 414.468 4.116 20 5 HIBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2cccc(Br)c2n1 ZINC000465584301 879065462 /nfs/dbraw/zinc/06/54/62/879065462.db2.gz BIWSUIKWPWYRGF-UHFFFAOYSA-N -1 0 422.260 4.015 20 5 HIBDRM Cc1sc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] ZINC000466970480 880771300 /nfs/dbraw/zinc/77/13/00/880771300.db2.gz DEXZGMIMASOGTM-UHFFFAOYSA-N -1 0 405.295 4.145 20 5 HIBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)ccc1[N+](=O)[O-] ZINC000467083455 880854084 /nfs/dbraw/zinc/85/40/84/880854084.db2.gz GKMYSUQPDDPBSF-UHFFFAOYSA-N -1 0 422.466 4.258 20 5 HIBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC[C@H]2C)cc1C ZINC000467425279 881214710 /nfs/dbraw/zinc/21/47/10/881214710.db2.gz NNNMPLZQTZJLDX-OAHLLOKOSA-N -1 0 419.503 4.091 20 5 HIBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000469882245 884072746 /nfs/dbraw/zinc/07/27/46/884072746.db2.gz SVUDZNXGHXHHTM-UHFFFAOYSA-N -1 0 402.407 4.212 20 5 HIBDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471582783 886294549 /nfs/dbraw/zinc/29/45/49/886294549.db2.gz ZBQUPJLVTDDNJC-CYBMUJFWSA-N -1 0 420.878 4.163 20 5 HIBDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000471946707 886749099 /nfs/dbraw/zinc/74/90/99/886749099.db2.gz APFLTQKSGNYBEB-UHFFFAOYSA-N -1 0 422.260 4.015 20 5 HIBDRM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476782383 891761782 /nfs/dbraw/zinc/76/17/82/891761782.db2.gz XYNAQNNYVCCJRF-UHFFFAOYSA-N -1 0 416.821 4.056 20 5 HIBDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])s2)c1 ZINC000479115292 894383715 /nfs/dbraw/zinc/38/37/15/894383715.db2.gz NXWCASXKGMNNHX-UHFFFAOYSA-N -1 0 418.500 4.148 20 5 HIBDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000479138806 894408305 /nfs/dbraw/zinc/40/83/05/894408305.db2.gz YZQWGIFVGOMHSO-UHFFFAOYSA-N -1 0 420.878 4.160 20 5 HIBDRM Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C(C)C)cc1 ZINC000480206798 895609269 /nfs/dbraw/zinc/60/92/69/895609269.db2.gz AYKYTGWFZXWMAW-UHFFFAOYSA-N -1 0 400.460 4.013 20 5 HIBDRM CCc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000480229850 895634010 /nfs/dbraw/zinc/63/40/10/895634010.db2.gz TZGCZHJJZKZKBZ-UHFFFAOYSA-N -1 0 420.878 4.106 20 5 HIBDRM Cc1ccc(-n2ncc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C(C)C)cc1 ZINC000480240387 895649539 /nfs/dbraw/zinc/64/95/39/895649539.db2.gz IAPZEIDZAJDTFN-UHFFFAOYSA-N -1 0 400.460 4.013 20 5 HIBDRM CC(C)c1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480243413 895654906 /nfs/dbraw/zinc/65/49/06/895654906.db2.gz DMPRJMRUGNEWPG-UHFFFAOYSA-N -1 0 420.878 4.358 20 5 HIBDRM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505805409 914465952 /nfs/dbraw/zinc/46/59/52/914465952.db2.gz QJJQLAQMSBCURV-UHFFFAOYSA-N -1 0 408.458 4.176 20 5 HIBDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000485594647 900856117 /nfs/dbraw/zinc/85/61/17/900856117.db2.gz VQGPJYBBJDDCGL-NSHDSACASA-N -1 0 404.806 4.118 20 5 HIBDRM COc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000485977915 901194963 /nfs/dbraw/zinc/19/49/63/901194963.db2.gz NWUFPULRXCRTJV-AATRIKPKSA-N -1 0 420.324 4.257 20 5 HIBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497881403 907356226 /nfs/dbraw/zinc/35/62/26/907356226.db2.gz ILNVRFCGQLRICR-QGZVFWFLSA-N -1 0 424.375 4.312 20 5 HIBDRM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([O-])ccc3[N+](=O)[O-])s2)cc1 ZINC000512914038 921407613 /nfs/dbraw/zinc/40/76/13/921407613.db2.gz VSKHRCWNKKVNGK-NSHDSACASA-N -1 0 413.455 4.232 20 5 HIBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500470405 909877270 /nfs/dbraw/zinc/87/72/70/909877270.db2.gz NJDCLMSKVMXQRV-UHFFFAOYSA-N -1 0 419.684 4.428 20 5 HIBDRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506834531 915610620 /nfs/dbraw/zinc/61/06/20/915610620.db2.gz NLXCKAIBLMBVTK-UHFFFAOYSA-N -1 0 414.468 4.104 20 5 HIBDRM COc1ccccc1COc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000507089305 915864107 /nfs/dbraw/zinc/86/41/07/915864107.db2.gz SCVHXBLWGUNGKF-UHFFFAOYSA-N -1 0 408.410 4.449 20 5 HIBDRM COc1cc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000507172493 915914850 /nfs/dbraw/zinc/91/48/50/915914850.db2.gz DQTHBMJBSXYSRP-HNNXBMFYSA-N -1 0 422.437 4.379 20 5 HIBDRM COc1cc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000507172494 915915218 /nfs/dbraw/zinc/91/52/18/915915218.db2.gz DQTHBMJBSXYSRP-OAHLLOKOSA-N -1 0 422.437 4.379 20 5 HIBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2C(C)C)cc1C ZINC000507304109 916065651 /nfs/dbraw/zinc/06/56/51/916065651.db2.gz NSDUTYMPJMNBJR-UHFFFAOYSA-N -1 0 414.487 4.457 20 5 HIBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1C ZINC000508028824 916863316 /nfs/dbraw/zinc/86/33/16/916863316.db2.gz XRDTXUJPIZDJET-UHFFFAOYSA-N -1 0 419.484 4.048 20 5 HIBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000509873014 918473959 /nfs/dbraw/zinc/47/39/59/918473959.db2.gz FCFMYTANTVXWIH-GOSISDBHSA-N -1 0 410.405 4.197 20 5 HIBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000511129966 919743947 /nfs/dbraw/zinc/74/39/47/919743947.db2.gz JYWCKDQFYQIOTL-UHFFFAOYSA-N -1 0 403.391 4.030 20 5 HIBDRM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512135695 920882908 /nfs/dbraw/zinc/88/29/08/920882908.db2.gz NPKPAAHJASCJCO-UHFFFAOYSA-N -1 0 407.354 4.278 20 5 HIBDRM O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512145809 920888644 /nfs/dbraw/zinc/88/86/44/920888644.db2.gz NXRGCNVNUPIQMH-UHFFFAOYSA-N -1 0 413.333 4.104 20 5 HIBDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 ZINC000513812236 922135546 /nfs/dbraw/zinc/13/55/46/922135546.db2.gz HIHMBPXUCOWQMR-UHFFFAOYSA-N -1 0 424.529 4.386 20 5 HIBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000515427079 923094958 /nfs/dbraw/zinc/09/49/58/923094958.db2.gz QJPWNWZSHBVOKV-AWEZNQCLSA-N -1 0 420.425 4.435 20 5 HIBDRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516343799 923678525 /nfs/dbraw/zinc/67/85/25/923678525.db2.gz XWUMOADFDBKGLG-UHFFFAOYSA-N -1 0 424.784 4.467 20 5 HIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000516787653 923887152 /nfs/dbraw/zinc/88/71/52/923887152.db2.gz GMVIXKOELZRPEF-UHFFFAOYSA-N -1 0 422.846 4.359 20 5 HIBDRM COc1cc(/C=C\c2nc3cc(C)ccc3s2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000517402447 924159357 /nfs/dbraw/zinc/15/93/57/924159357.db2.gz YWSAKDNTPNDMNG-XQRVVYSFSA-N -1 0 400.412 4.155 20 5 HIBDRM CC(Sc1ccc([N+](=O)[O-])cc1)=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000520966188 928892974 /nfs/dbraw/zinc/89/29/74/928892974.db2.gz UPTCRWRKKGAYSM-SNVBAGLBSA-N -1 0 420.903 4.308 20 5 HIBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000521602152 929323890 /nfs/dbraw/zinc/32/38/90/929323890.db2.gz SDVVQTOSLBVLNL-UHFFFAOYSA-N -1 0 423.809 4.375 20 5 HIBDRM COc1cc(CNc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000521919070 929563366 /nfs/dbraw/zinc/56/33/66/929563366.db2.gz VMAKAPSOICTDIM-AWEZNQCLSA-N -1 0 413.474 4.102 20 5 HIBDRM CC(C)c1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2cccs2)cc1 ZINC000525184553 930079818 /nfs/dbraw/zinc/07/98/18/930079818.db2.gz UJVNJFXDFZHMCG-SFHVURJKSA-N -1 0 417.512 4.243 20 5 HIBDRM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)cs1 ZINC000530669588 930793039 /nfs/dbraw/zinc/79/30/39/930793039.db2.gz VMKFMGFTEVPDBZ-UHFFFAOYSA-N -1 0 423.903 4.159 20 5 HIBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC000532263810 931375366 /nfs/dbraw/zinc/37/53/66/931375366.db2.gz GIMXNRKKUVKGKJ-HNNXBMFYSA-N -1 0 411.458 4.101 20 5 HIBDRM Cc1ccc(-c2csc([N-]S(=O)(=O)CCc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000532320118 931395856 /nfs/dbraw/zinc/39/58/56/931395856.db2.gz DGGNXJNCYDDRLC-UHFFFAOYSA-N -1 0 403.485 4.011 20 5 HIBDRM Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000537365429 933739717 /nfs/dbraw/zinc/73/97/17/933739717.db2.gz QZAYEOGVLWYKLH-UHFFFAOYSA-N -1 0 406.394 4.433 20 5 HIBDRM O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccc([O-])c1[N+](=O)[O-] ZINC000537966407 938438111 /nfs/dbraw/zinc/43/81/11/938438111.db2.gz KFBCTQAFKNDMJK-HPNFCUQDSA-N -1 0 400.434 4.328 20 5 HIBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000539415016 938857489 /nfs/dbraw/zinc/85/74/89/938857489.db2.gz KGJANYJCPRIELL-UHFFFAOYSA-N -1 0 416.484 4.390 20 5 HIBDRM CC(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539723564 938913562 /nfs/dbraw/zinc/91/35/62/938913562.db2.gz IGMJKLQICRLSFW-LPHOPBHVSA-N -1 0 421.856 4.047 20 5 HIBDRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000539958676 938981452 /nfs/dbraw/zinc/98/14/52/938981452.db2.gz QKEPOTLNBPLJTM-XNTDXEJSSA-N -1 0 419.437 4.226 20 5 HIBDRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540036951 939045930 /nfs/dbraw/zinc/04/59/30/939045930.db2.gz JOIQYTTWIIGATK-UHFFFAOYSA-N -1 0 401.593 4.389 20 5 HIBDRM Cc1nc(CCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])oc1-c1ccccc1 ZINC000540874008 939406176 /nfs/dbraw/zinc/40/61/76/939406176.db2.gz VSACRHBBONEGTO-UHFFFAOYSA-N -1 0 401.806 4.489 20 5 HIBDRM Cc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000542514541 939835632 /nfs/dbraw/zinc/83/56/32/939835632.db2.gz GIGYPZPFZJBCJD-UHFFFAOYSA-N -1 0 406.320 4.066 20 5 HIBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000543434324 940063267 /nfs/dbraw/zinc/06/32/67/940063267.db2.gz QXWNVGAMXSNGEI-UHFFFAOYSA-N -1 0 422.393 4.275 20 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ZINC000554690378 942200790 /nfs/dbraw/zinc/20/07/90/942200790.db2.gz WFDOYWZVEZTVFI-LLVKDONJSA-N -1 0 404.366 4.034 20 5 HIBDRM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000560811769 944341461 /nfs/dbraw/zinc/34/14/61/944341461.db2.gz YWLSRWMSTXOOIP-SFHVURJKSA-N -1 0 424.375 4.217 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C(F)(F)F ZINC000568554364 946592313 /nfs/dbraw/zinc/59/23/13/946592313.db2.gz COUQHLKKRMORGS-LLVKDONJSA-N -1 0 404.366 4.034 20 5 HIBDRM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000015513516 846056397 /nfs/dbraw/zinc/05/63/97/846056397.db2.gz HUTVJLIVWGJJAQ-UHFFFAOYSA-N -1 0 412.427 4.040 20 5 HIBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016099616 846123701 /nfs/dbraw/zinc/12/37/01/846123701.db2.gz DHDICUBHRINJGP-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436742449 861925978 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BGVZDSPCBYJQOZ-QGZVFWFLSA-N -1 0 424.375 4.312 20 5 HIBDRM O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000508107117 916922181 /nfs/dbraw/zinc/92/21/81/916922181.db2.gz XZHZDOHWNDQETJ-ZDUSSCGKSA-N -1 0 408.254 4.353 20 5 HIBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC000508121481 916938066 /nfs/dbraw/zinc/93/80/66/916938066.db2.gz XADRUBMBCPBDRU-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM CC(C)(C)Oc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000513638368 921961739 /nfs/dbraw/zinc/96/17/39/921961739.db2.gz RFGJSOCYVNSDOE-UHFFFAOYSA-N -1 0 412.364 4.427 20 5 HIBDRM COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000517402429 924159346 /nfs/dbraw/zinc/15/93/46/924159346.db2.gz YDHKLHNGSWYGFO-GORDUTHDSA-N -1 0 404.762 4.032 20 5 HIBDRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000518370080 927226089 /nfs/dbraw/zinc/22/60/89/927226089.db2.gz CJFZCOWLKYWPAT-UHFFFAOYSA-N -1 0 415.862 4.015 20 5 HIBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)nc1 ZINC000520038137 928263025 /nfs/dbraw/zinc/26/30/25/928263025.db2.gz IAZIIVLONIMWJC-UHFFFAOYSA-N -1 0 417.418 4.284 20 5 HIBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccccc1COCc1ccccc1 ZINC000521597479 929319540 /nfs/dbraw/zinc/31/95/40/929319540.db2.gz DTVGDSKCKOVQAW-UHFFFAOYSA-N -1 0 416.430 4.252 20 5 HIBDRM COc1ccc(-c2cc3[n-]c(Cc4ccc([N+](=O)[O-])c(OC)c4)nc(=O)c3s2)cc1 ZINC000531198149 930962902 /nfs/dbraw/zinc/96/29/02/930962902.db2.gz BYDWAWFUBNIUKB-UHFFFAOYSA-N -1 0 423.450 4.168 20 5 HIBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000532689703 931586221 /nfs/dbraw/zinc/58/62/21/931586221.db2.gz WHEYPDPWKVCBOH-UHFFFAOYSA-N -1 0 422.393 4.275 20 5 HIBDRM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000535833402 933421806 /nfs/dbraw/zinc/42/18/06/933421806.db2.gz RVSPITNUEWQMOA-UHFFFAOYSA-N -1 0 416.262 4.083 20 5 HIBDRM 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Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000797733237 939196310 /nfs/dbraw/zinc/19/63/10/939196310.db2.gz XXCJYTXBLIECEE-JLTOFOAXSA-N -1 0 407.426 4.243 20 5 HIBDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000540653421 939331311 /nfs/dbraw/zinc/33/13/11/939331311.db2.gz MEDYJDUMMNAMOI-UHFFFAOYSA-N -1 0 422.260 4.015 20 5 HIBDRM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000540882753 939409093 /nfs/dbraw/zinc/40/90/93/939409093.db2.gz HJHMVAHWNISXSN-UHFFFAOYSA-N -1 0 407.810 4.398 20 5 HIBDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000543163735 939982684 /nfs/dbraw/zinc/98/26/84/939982684.db2.gz OMJVTNZRCKIHRK-UHFFFAOYSA-N -1 0 409.876 4.481 20 5 HIBDRM Cc1sc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 ZINC000546087098 940695552 /nfs/dbraw/zinc/69/55/52/940695552.db2.gz XRONRRHJHWPHSC-UHFFFAOYSA-N -1 0 403.485 4.277 20 5 HIBDRM CCOc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c([N+](=O)[O-])cc1OC 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O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000327017269 855414380 /nfs/dbraw/zinc/41/43/80/855414380.db2.gz ZNXPKHCFOZIVKU-UHFFFAOYSA-N -1 0 405.126 4.334 20 5 HIBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000409535962 855529672 /nfs/dbraw/zinc/52/96/72/855529672.db2.gz ODXMEAMTMJRHRK-VIFPVBQESA-N -1 0 401.897 4.020 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(NC(=O)C2CCCCC2)c1 ZINC000425974477 856026352 /nfs/dbraw/zinc/02/63/52/856026352.db2.gz CCHHCWRXEKPRFR-UHFFFAOYSA-N -1 0 417.487 4.223 20 5 HIBDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000425979890 856028411 /nfs/dbraw/zinc/02/84/11/856028411.db2.gz MDTDFJQFQDFRIH-UHFFFAOYSA-N -1 0 422.503 4.418 20 5 HIBDRM O=C1CCCc2ccc([N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])cc21 ZINC000425994466 856035567 /nfs/dbraw/zinc/03/55/67/856035567.db2.gz HBESIIFSDGWPNX-UHFFFAOYSA-N -1 0 415.254 4.221 20 5 HIBDRM O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc([N+](=O)[O-])s1 ZINC000431452490 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Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000507299957 916064464 /nfs/dbraw/zinc/06/44/64/916064464.db2.gz NGXSXRGIAZYDNB-GFCCVEGCSA-N -1 0 421.475 4.205 20 5 HIBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000507766820 916553632 /nfs/dbraw/zinc/55/36/32/916553632.db2.gz PDQSQGBPKPGWOS-CYBMUJFWSA-N -1 0 423.400 4.183 20 5 HIBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1C ZINC000508067829 916890197 /nfs/dbraw/zinc/89/01/97/916890197.db2.gz KUKZLYCWTZHHIO-UHFFFAOYSA-N -1 0 419.503 4.093 20 5 HIBDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2)cn1 ZINC000509375752 918041342 /nfs/dbraw/zinc/04/13/42/918041342.db2.gz LXVDNZPCKJUALQ-UHFFFAOYSA-N -1 0 413.455 4.083 20 5 HIBDRM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000509387063 918052718 /nfs/dbraw/zinc/05/27/18/918052718.db2.gz TYNNKDIFFKQTGU-UHFFFAOYSA-N -1 0 401.419 4.214 20 5 HIBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000511678929 920343180 /nfs/dbraw/zinc/34/31/80/920343180.db2.gz BNKIIXCWOIFDKG-UHFFFAOYSA-N -1 0 424.784 4.299 20 5 HIBDRM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000515079217 922896515 /nfs/dbraw/zinc/89/65/15/922896515.db2.gz OAICIPBOQSDKJV-UHFFFAOYSA-N -1 0 424.284 4.002 20 5 HIBDRM COc1cc2c(cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])oc1ccccc12 ZINC000516772205 923883322 /nfs/dbraw/zinc/88/33/22/923883322.db2.gz PGBKIRUWNOOUNR-UHFFFAOYSA-N -1 0 416.386 4.443 20 5 HIBDRM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000518647571 927401902 /nfs/dbraw/zinc/40/19/02/927401902.db2.gz OZURPBKBSOGEBD-UHFFFAOYSA-N -1 0 418.402 4.336 20 5 HIBDRM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])oc21 ZINC000518661740 927412921 /nfs/dbraw/zinc/41/29/21/927412921.db2.gz SRXOZKHMNYOCKR-LLVKDONJSA-N -1 0 424.862 4.433 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000521143618 929021942 /nfs/dbraw/zinc/02/19/42/929021942.db2.gz LDEDMAJEHYKXIM-UHFFFAOYSA-N -1 0 408.439 4.247 20 5 HIBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2oc(CC(C)(C)C)nc2c1 ZINC000521327888 929143820 /nfs/dbraw/zinc/14/38/20/929143820.db2.gz AKAWMOMTOYPJBT-UHFFFAOYSA-N -1 0 403.460 4.434 20 5 HIBDRM COc1cc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000521919071 929562379 /nfs/dbraw/zinc/56/23/79/929562379.db2.gz VMAKAPSOICTDIM-CQSZACIVSA-N -1 0 413.474 4.102 20 5 HIBDRM O=C(Nc1ccc(Br)cc1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000531426213 931052832 /nfs/dbraw/zinc/05/28/32/931052832.db2.gz DWXYOUJOWSBVEQ-UHFFFAOYSA-N -1 0 416.025 4.078 20 5 HIBDRM C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2[N+](=O)[O-])C1 ZINC000532263811 931375501 /nfs/dbraw/zinc/37/55/01/931375501.db2.gz GIMXNRKKUVKGKJ-OAHLLOKOSA-N -1 0 411.458 4.101 20 5 HIBDRM CSCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000533005651 931732853 /nfs/dbraw/zinc/73/28/53/931732853.db2.gz QINZEFCYMJITMH-UHFFFAOYSA-N -1 0 406.407 4.277 20 5 HIBDRM COc1cc(CNc2ccc(Oc3ccc(C)cc3OC)nc2)cc([N+](=O)[O-])c1[O-] ZINC000537505366 933797243 /nfs/dbraw/zinc/79/72/43/933797243.db2.gz LLEIJUSMBQTZCS-UHFFFAOYSA-N -1 0 411.414 4.425 20 5 HIBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c2cccnc21 ZINC000562616511 945108470 /nfs/dbraw/zinc/10/84/70/945108470.db2.gz RLIBGTFCGNRTFS-UHFFFAOYSA-N -1 0 415.324 4.102 20 5 HIBDRM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000538323703 938592644 /nfs/dbraw/zinc/59/26/44/938592644.db2.gz SBDVHCQBJDOXEK-HNNXBMFYSA-N -1 0 408.458 4.251 20 5 HIBDRM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539067576 938791335 /nfs/dbraw/zinc/79/13/35/938791335.db2.gz SAJQZXPHANAACR-GOSISDBHSA-N -1 0 401.422 4.344 20 5 HIBDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000539553641 938879232 /nfs/dbraw/zinc/87/92/32/938879232.db2.gz URCGLEXQOPDHMW-UHFFFAOYSA-N -1 0 423.438 4.460 20 5 HIBDRM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000539563225 938880314 /nfs/dbraw/zinc/88/03/14/938880314.db2.gz AGYZMZAIUUVQRB-CYBMUJFWSA-N -1 0 408.254 4.353 20 5 HIBDRM CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000540713828 939346001 /nfs/dbraw/zinc/34/60/01/939346001.db2.gz WYJIWEOFXRJMEG-UHFFFAOYSA-N -1 0 406.822 4.261 20 5 HIBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)n1Cc1ccccn1 ZINC000540881078 939408608 /nfs/dbraw/zinc/40/86/08/939408608.db2.gz NCORTDNLEAEXGL-UHFFFAOYSA-N -1 0 400.822 4.068 20 5 HIBDRM COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] ZINC000541089462 939455795 /nfs/dbraw/zinc/45/57/95/939455795.db2.gz ISMZLRMZUASHRI-UHFFFAOYSA-N -1 0 410.757 4.076 20 5 HIBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000542713475 939856071 /nfs/dbraw/zinc/85/60/71/939856071.db2.gz FCQPGTXUSLFNSP-UHFFFAOYSA-N -1 0 424.891 4.184 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000546145195 940712701 /nfs/dbraw/zinc/71/27/01/940712701.db2.gz CKPAWSFUGGJBJI-UHFFFAOYSA-N -1 0 421.475 4.032 20 5 HIBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)cc1OC(F)F ZINC000547239453 941040818 /nfs/dbraw/zinc/04/08/18/941040818.db2.gz IHJLVICGBJLVOW-UHFFFAOYSA-N -1 0 413.185 4.304 20 5 HIBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c1 ZINC000549037634 941147047 /nfs/dbraw/zinc/14/70/47/941147047.db2.gz SSOAZNFNCHQHAM-UHFFFAOYSA-N -1 0 402.457 4.249 20 5 HIBDRM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000560811765 944340937 /nfs/dbraw/zinc/34/09/37/944340937.db2.gz YWLSRWMSTXOOIP-GOSISDBHSA-N -1 0 424.375 4.217 20 5 HIBDRM COc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1OCc1ccncc1 ZINC000570701823 947329668 /nfs/dbraw/zinc/32/96/68/947329668.db2.gz UYEVNDQBHVLEFB-CQSZACIVSA-N -1 0 423.425 4.449 20 5 HIBDRM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1cccc(Cl)c1 ZINC000574828499 948537013 /nfs/dbraw/zinc/53/70/13/948537013.db2.gz XPPBJWFHMBIYQN-UHFFFAOYSA-N -1 0 423.903 4.405 20 5 HIBDRM