smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000004120495 132270051 /nfs/dbraw/zinc/27/00/51/132270051.db2.gz QRFHQEFGDUSCKO-UHFFFAOYSA-N 0 0 426.473 3.304 50 5 IGBARN CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000008744474 132292732 /nfs/dbraw/zinc/29/27/32/132292732.db2.gz FKVYVXJEGVNJGS-UHFFFAOYSA-N 0 0 446.891 3.324 50 5 IGBARN CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccc(OC)c(OC)c3)c2)CC1 ZINC000008816339 132294843 /nfs/dbraw/zinc/29/48/43/132294843.db2.gz MWLZKQWVTDRWCB-UHFFFAOYSA-N 0 0 442.516 3.325 50 5 IGBARN CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000008986271 132299573 /nfs/dbraw/zinc/29/95/73/132299573.db2.gz YGQFXGTVGDYXPG-UHFFFAOYSA-N 0 0 428.514 3.219 50 5 IGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009111175 132303170 /nfs/dbraw/zinc/30/31/70/132303170.db2.gz GCLFLUYXNOODFZ-UHFFFAOYSA-N 0 0 429.420 3.266 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@@H]2C1 ZINC000009122989 132304985 /nfs/dbraw/zinc/30/49/85/132304985.db2.gz VNMMVXQCNDNNJB-NTDBCUBYSA-N 0 0 440.500 3.153 50 5 IGBARN CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012412646 520519636 /nfs/dbraw/zinc/51/96/36/520519636.db2.gz FQXHNDPJAXTFLP-IBGZPJMESA-N 0 0 444.875 3.209 50 5 IGBARN CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012412644 520520935 /nfs/dbraw/zinc/52/09/35/520520935.db2.gz FQXHNDPJAXTFLP-LJQANCHMSA-N 0 0 444.875 3.209 50 5 IGBARN CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000012869809 522429357 /nfs/dbraw/zinc/42/93/57/522429357.db2.gz ROVJFXXFCKNKIS-CYBMUJFWSA-N 0 0 442.515 3.126 50 5 IGBARN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000012642916 523756806 /nfs/dbraw/zinc/75/68/06/523756806.db2.gz HQXSSFURDMJZII-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN CN1CCN(S(=O)(=O)c2ccc(N[C@H](c3ccccc3)C3CC3)c([N+](=O)[O-])c2)CC1 ZINC000035292568 523914909 /nfs/dbraw/zinc/91/49/09/523914909.db2.gz YQENXQMZUSDLLO-OAQYLSRUSA-N 0 0 430.530 3.094 50 5 IGBARN COCCNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000020897824 523963302 /nfs/dbraw/zinc/96/33/02/523963302.db2.gz KWSNAMZDOSTRPU-UHFFFAOYSA-N 0 0 430.417 3.396 50 5 IGBARN Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020848668 524924730 /nfs/dbraw/zinc/92/47/30/524924730.db2.gz PSPFFYYWYGHNQE-ROUUACIJSA-N 0 0 435.889 3.164 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012643039 525470085 /nfs/dbraw/zinc/47/00/85/525470085.db2.gz XYHOWVDSFYQATH-UHFFFAOYSA-N 0 0 436.350 3.254 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000012565263 525712357 /nfs/dbraw/zinc/71/23/57/525712357.db2.gz GZJRTGVFFFEYKS-CYBMUJFWSA-N 0 0 425.894 3.442 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000012597115 525712719 /nfs/dbraw/zinc/71/27/19/525712719.db2.gz NHHKRQMIQMSYGU-GFCCVEGCSA-N 0 0 427.429 3.067 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000012754603 526085568 /nfs/dbraw/zinc/08/55/68/526085568.db2.gz QUAAFZFTSWAVIE-KRWDZBQOSA-N 0 0 445.541 3.224 50 5 IGBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847600 526146189 /nfs/dbraw/zinc/14/61/89/526146189.db2.gz OMNJIWAUAAFJPA-CQSZACIVSA-N 0 0 446.891 3.122 50 5 IGBARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014699618 526442496 /nfs/dbraw/zinc/44/24/96/526442496.db2.gz WSIQOAOSMXHJBM-UHFFFAOYSA-N 0 0 436.420 3.246 50 5 IGBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12)N1CCC(Cc2ccccc2)CC1 ZINC000035870813 526515436 /nfs/dbraw/zinc/51/54/36/526515436.db2.gz HZQPPRSDQZJCDN-ISKFKSNPSA-N 0 0 435.524 3.454 50 5 IGBARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022907624 526581112 /nfs/dbraw/zinc/58/11/12/526581112.db2.gz YDCIONDKHZMYOQ-HXUWFJFHSA-N 0 0 434.452 3.042 50 5 IGBARN O=C(c1ccc(F)cc1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000012429014 526689732 /nfs/dbraw/zinc/68/97/32/526689732.db2.gz XHWOWCBEASDOBM-QGZVFWFLSA-N 0 0 446.454 3.426 50 5 IGBARN O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000009539851 526914108 /nfs/dbraw/zinc/91/41/08/526914108.db2.gz DNEFDJMOGGBQIA-UHFFFAOYSA-N 0 0 435.436 3.380 50 5 IGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012137674 526996440 /nfs/dbraw/zinc/99/64/40/526996440.db2.gz HYHGVLKATSIOJE-UHFFFAOYSA-N 0 0 441.465 3.091 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000022906644 527375792 /nfs/dbraw/zinc/37/57/92/527375792.db2.gz RXZFBHDIVOKWTI-QFIPXVFZSA-N 0 0 438.509 3.068 50 5 IGBARN Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4o3)c(N)n(CCc3ccccc3)c2c1=O ZINC000012311418 527558398 /nfs/dbraw/zinc/55/83/98/527558398.db2.gz GICZRQUFAOPZGM-UHFFFAOYSA-N 0 0 430.424 3.276 50 5 IGBARN CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009128699 535495849 /nfs/dbraw/zinc/49/58/49/535495849.db2.gz HRDMZMVSFJTYTR-WMZHIEFXSA-N 0 0 436.468 3.021 50 5 IGBARN CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009128698 535496742 /nfs/dbraw/zinc/49/67/42/535496742.db2.gz HRDMZMVSFJTYTR-CVDCTZTESA-N 0 0 436.468 3.021 50 5 IGBARN COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000008445309 556179674 /nfs/dbraw/zinc/17/96/74/556179674.db2.gz LVGLADRVUHWVQN-MRXNPFEDSA-N 0 0 446.769 3.026 50 5 IGBARN O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000032850536 556435810 /nfs/dbraw/zinc/43/58/10/556435810.db2.gz OUELNYQSINWFFU-UHFFFAOYSA-N 0 0 442.522 3.135 50 5 IGBARN CCOC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004558630 556456928 /nfs/dbraw/zinc/45/69/28/556456928.db2.gz XMZQHDHKLBJNBU-JTQLQIEISA-N 0 0 445.712 3.332 50 5 IGBARN CC[C@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000072302497 556547027 /nfs/dbraw/zinc/54/70/27/556547027.db2.gz XVTJPESLWJXOKV-KXBFYZLASA-N 0 0 443.472 3.484 50 5 IGBARN CC[C@@H](C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000016752252 556637782 /nfs/dbraw/zinc/63/77/82/556637782.db2.gz MALLSJZYWQHKAK-QGZVFWFLSA-N 0 0 429.524 3.381 50 5 IGBARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000100744671 556659613 /nfs/dbraw/zinc/65/96/13/556659613.db2.gz MQTOUGPJKRLEGM-IRXDYDNUSA-N 0 0 448.431 3.399 50 5 IGBARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000032934444 556677356 /nfs/dbraw/zinc/67/73/56/556677356.db2.gz ZOMWAGKUCMFJIR-FQEVSTJZSA-N 0 0 443.891 3.087 50 5 IGBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCOc1c(Cl)cccc1Cl ZINC000024224509 556693925 /nfs/dbraw/zinc/69/39/25/556693925.db2.gz QMMWWFAIAITWOI-UHFFFAOYSA-N 0 0 427.196 3.432 50 5 IGBARN COc1cccc(C(=S)N2CCOCC2)c1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000013897859 556802921 /nfs/dbraw/zinc/80/29/21/556802921.db2.gz FKGVXZVYLACBOX-UHFFFAOYSA-N 0 0 436.873 3.484 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010766369 557025216 /nfs/dbraw/zinc/02/52/16/557025216.db2.gz DZTGGQCDTXGVPY-UHFFFAOYSA-N 0 0 443.934 3.414 50 5 IGBARN CCc1cc(N2CCC(NC(=O)c3cc(C)on3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000048308908 557059598 /nfs/dbraw/zinc/05/95/98/557059598.db2.gz YBRKUPZVRHSDFL-UHFFFAOYSA-N 0 0 436.472 3.309 50 5 IGBARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000024828752 557165414 /nfs/dbraw/zinc/16/54/14/557165414.db2.gz DXAUKYATGYGYIU-UHFFFAOYSA-N 0 0 443.953 3.345 50 5 IGBARN Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3)cc3c2nc2ccccn2c3=O)cc1 ZINC000100851386 557192163 /nfs/dbraw/zinc/19/21/63/557192163.db2.gz VNZRMVPNEHEEKF-UHFFFAOYSA-N 0 0 449.514 3.415 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1Cc1ccccc1)c2=O ZINC000100861037 557193053 /nfs/dbraw/zinc/19/30/53/557193053.db2.gz VPASZJAEOXADPP-UHFFFAOYSA-N 0 0 449.514 3.415 50 5 IGBARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1c(C)nc2ccccc21 ZINC000018061658 557234594 /nfs/dbraw/zinc/23/45/94/557234594.db2.gz BLBYBIFNBLUTFO-UHFFFAOYSA-N 0 0 431.518 3.396 50 5 IGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000101204693 557263442 /nfs/dbraw/zinc/26/34/42/557263442.db2.gz PNSSDGKCNINLIH-QZTJIDSGSA-N 0 0 440.500 3.020 50 5 IGBARN Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3ccco3)c2=N)cc1 ZINC000100869804 557277712 /nfs/dbraw/zinc/27/77/12/557277712.db2.gz QAPZABKXCNEDCM-UHFFFAOYSA-N 0 0 439.475 3.008 50 5 IGBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000837560 557279642 /nfs/dbraw/zinc/27/96/42/557279642.db2.gz GHTMHJPGWGYTIB-CYBMUJFWSA-N 0 0 447.241 3.136 50 5 IGBARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n[nH]2)c1 ZINC000014137138 557308977 /nfs/dbraw/zinc/30/89/77/557308977.db2.gz PDSKNMMNAQGOPA-UHFFFAOYSA-N 0 0 445.457 3.137 50 5 IGBARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102699634 557365346 /nfs/dbraw/zinc/36/53/46/557365346.db2.gz QKJYOWDIFZIZCD-GUDVDZBRSA-N 0 0 426.860 3.092 50 5 IGBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C)C[C@@H](C)CC2 ZINC000000845108 557418510 /nfs/dbraw/zinc/41/85/10/557418510.db2.gz JUGGLJBRVKDULD-QMMMGPOBSA-N 0 0 426.882 3.365 50 5 IGBARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc([N+](=O)[O-])cc3)N12 ZINC000103184942 557425511 /nfs/dbraw/zinc/42/55/11/557425511.db2.gz MZMFPEYXIIOLJO-GOSISDBHSA-N 0 0 430.486 3.211 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000047146215 557517041 /nfs/dbraw/zinc/51/70/41/557517041.db2.gz HQWGRDRGPFXHCZ-UHFFFAOYSA-N 0 0 441.444 3.005 50 5 IGBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccccc1 ZINC000000855977 557830228 /nfs/dbraw/zinc/83/02/28/557830228.db2.gz HGIRQIQNQDLNFA-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)n1 ZINC000001015900 568651959 /nfs/dbraw/zinc/65/19/59/568651959.db2.gz CZQKFRUTIAUJMN-UHFFFAOYSA-N 0 0 432.433 3.194 50 5 IGBARN CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2O1 ZINC000015210730 568732023 /nfs/dbraw/zinc/73/20/23/568732023.db2.gz FTBAFCYWHGGAES-UHFFFAOYSA-N 0 0 434.470 3.122 50 5 IGBARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000001187917 568736426 /nfs/dbraw/zinc/73/64/26/568736426.db2.gz ONQSCDNLKPRECB-ZQFKLAOWSA-N 0 0 440.455 3.446 50 5 IGBARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001407217 568786161 /nfs/dbraw/zinc/78/61/61/568786161.db2.gz TUNMQZQELJCISV-UHFFFAOYSA-N 0 0 444.403 3.163 50 5 IGBARN O=C(CN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CCCC1 ZINC000084519312 568798404 /nfs/dbraw/zinc/79/84/04/568798404.db2.gz JKVIXLFNUZOMND-FQEVSTJZSA-N 0 0 437.496 3.434 50 5 IGBARN O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015746247 568818668 /nfs/dbraw/zinc/81/86/68/568818668.db2.gz GZUCTDNBHPANBH-UHFFFAOYSA-N 0 0 448.520 3.235 50 5 IGBARN COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(OC)cc1Cl ZINC000001506580 568831453 /nfs/dbraw/zinc/83/14/53/568831453.db2.gz DSKRWIRFZTZFPC-UHFFFAOYSA-N 0 0 433.646 3.172 50 5 IGBARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000015832935 568842099 /nfs/dbraw/zinc/84/20/99/568842099.db2.gz JBABLNUGHIWBNM-IBGZPJMESA-N 0 0 444.469 3.183 50 5 IGBARN O=C(c1cccs1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000016393256 568887371 /nfs/dbraw/zinc/88/73/71/568887371.db2.gz GNTUABVGAIQTHR-CQSZACIVSA-N 0 0 434.493 3.349 50 5 IGBARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)c12 ZINC000013002641 568898518 /nfs/dbraw/zinc/89/85/18/568898518.db2.gz OVEUCERVWFYGQS-UHFFFAOYSA-N 0 0 435.396 3.468 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000002064378 568941182 /nfs/dbraw/zinc/94/11/82/568941182.db2.gz IYQMVTRFLSHDSM-UHFFFAOYSA-N 0 0 448.464 3.464 50 5 IGBARN C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250293 568983718 /nfs/dbraw/zinc/98/37/18/568983718.db2.gz FFBHTSOBLBZCSQ-PGRDOPGGSA-N 0 0 442.560 3.312 50 5 IGBARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254424 568984698 /nfs/dbraw/zinc/98/46/98/568984698.db2.gz DHUKOXIVLDGWQB-LAUBAEHRSA-N 0 0 430.549 3.074 50 5 IGBARN CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000036383723 569092603 /nfs/dbraw/zinc/09/26/03/569092603.db2.gz CWDAOASFGJUFDO-OAQYLSRUSA-N 0 0 432.546 3.340 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000013137178 569125673 /nfs/dbraw/zinc/12/56/73/569125673.db2.gz XSZSGBVCQMBDKN-CQSZACIVSA-N 0 0 433.486 3.276 50 5 IGBARN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2I)c2ccc(F)cc21 ZINC000170595096 569141422 /nfs/dbraw/zinc/14/14/22/569141422.db2.gz CYOLIQMDZFBSJO-UHFFFAOYSA-N 0 0 441.200 3.435 50 5 IGBARN COc1cccc(Oc2cc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)ncn2)c1 ZINC000037342143 569148969 /nfs/dbraw/zinc/14/89/69/569148969.db2.gz PLXMGAHYRUEVBX-UHFFFAOYSA-N 0 0 435.440 3.148 50 5 IGBARN CC(C)CCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000089821161 569165238 /nfs/dbraw/zinc/16/52/38/569165238.db2.gz KICVTPLSXYJBBV-UHFFFAOYSA-N 0 0 439.465 3.076 50 5 IGBARN COC(=O)C1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 ZINC000016992525 569169587 /nfs/dbraw/zinc/16/95/87/569169587.db2.gz OXJIOLAUZXDAEM-UHFFFAOYSA-N 0 0 428.470 3.305 50 5 IGBARN COC(=O)c1cc(C)sc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000017098381 569173279 /nfs/dbraw/zinc/17/32/79/569173279.db2.gz ZEOWYGFNLLTKJU-UHFFFAOYSA-N 0 0 433.446 3.162 50 5 IGBARN Cc1ccc(S(=O)(=O)N2N=C3[C@H]([C@H]2c2cccc([N+](=O)[O-])c2)N2CCC3CC2)cc1 ZINC000252636138 569208091 /nfs/dbraw/zinc/20/80/91/569208091.db2.gz XEZLTTLPPXEMSG-NHCUHLMSSA-N 0 0 426.498 3.099 50 5 IGBARN COCCNc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000253396946 569264719 /nfs/dbraw/zinc/26/47/19/569264719.db2.gz OPPXWECBBJJOQV-NRFANRHFSA-N 0 0 433.892 3.438 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000010060543 569299311 /nfs/dbraw/zinc/29/93/11/569299311.db2.gz FGVNAQCMJDDDNQ-CYBMUJFWSA-N 0 0 429.816 3.276 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000018247016 569316241 /nfs/dbraw/zinc/31/62/41/569316241.db2.gz RVDJWRUDDQFPFI-KDURUIRLSA-N 0 0 434.404 3.090 50 5 IGBARN O=[N+]([O-])c1ccc(N2CC(OCCCc3ccccc3)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000078998770 569321710 /nfs/dbraw/zinc/32/17/10/569321710.db2.gz RAHHMKRAJKQIOL-UHFFFAOYSA-N 0 0 445.541 3.217 50 5 IGBARN COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000019782462 569329199 /nfs/dbraw/zinc/32/91/99/569329199.db2.gz GUPMKIOWUHBUFD-UHFFFAOYSA-N 0 0 434.290 3.324 50 5 IGBARN CC(C)C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095444977 569367207 /nfs/dbraw/zinc/36/72/07/569367207.db2.gz KQJOGSKBZXSKIB-KRWDZBQOSA-N 0 0 428.445 3.420 50 5 IGBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc(Br)c2cccnc12 ZINC000095481782 569374150 /nfs/dbraw/zinc/37/41/50/569374150.db2.gz WCDBXRZGGUCSND-UHFFFAOYSA-N 0 0 434.227 3.433 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCO[C@H]1CCCCO1 ZINC000225843204 569409334 /nfs/dbraw/zinc/40/93/34/569409334.db2.gz JIZPSMMJTLAECG-ROUUACIJSA-N 0 0 442.896 3.479 50 5 IGBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1 ZINC000028698751 569417598 /nfs/dbraw/zinc/41/75/98/569417598.db2.gz XMPVTKWQBGMQGR-GFCCVEGCSA-N 0 0 427.442 3.006 50 5 IGBARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000002856052 569423510 /nfs/dbraw/zinc/42/35/10/569423510.db2.gz JABPNOGPUYUMEC-MRXNPFEDSA-N 0 0 428.426 3.006 50 5 IGBARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000002870767 569423731 /nfs/dbraw/zinc/42/37/31/569423731.db2.gz LQQXFLZAVJQLGW-UHFFFAOYSA-N 0 0 439.877 3.050 50 5 IGBARN CCc1cccc(CC)c1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O ZINC000002876210 569423804 /nfs/dbraw/zinc/42/38/04/569423804.db2.gz OFGXUACQRJTDBM-UHFFFAOYSA-N 0 0 435.502 3.133 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000002884310 569424069 /nfs/dbraw/zinc/42/40/69/569424069.db2.gz KRLNBTXVMCEVGH-UHFFFAOYSA-N 0 0 435.502 3.440 50 5 IGBARN O=C(NC1CC1)c1ccc(CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000029539490 569431443 /nfs/dbraw/zinc/43/14/43/569431443.db2.gz NGHDRPONKXXTHF-UHFFFAOYSA-N 0 0 432.484 3.368 50 5 IGBARN O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000003105657 569440196 /nfs/dbraw/zinc/44/01/96/569440196.db2.gz CPBOQBDBUZIUNN-UHFFFAOYSA-N 0 0 435.417 3.193 50 5 IGBARN CCOC(=O)N[C@@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl ZINC000003130708 569440674 /nfs/dbraw/zinc/44/06/74/569440674.db2.gz ONZYDWBCUQTVLC-SNVBAGLBSA-N 0 0 445.712 3.332 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003269225 569443504 /nfs/dbraw/zinc/44/35/04/569443504.db2.gz FNDKSXFBNYMQEP-ACJLOTCBSA-N 0 0 431.420 3.059 50 5 IGBARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003320202 569445475 /nfs/dbraw/zinc/44/54/75/569445475.db2.gz IMPPMDCZRTZTRT-UHFFFAOYSA-N 0 0 445.431 3.457 50 5 IGBARN CCOC(=O)Nc1ccc2c(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc(=O)oc2c1 ZINC000003430543 569450807 /nfs/dbraw/zinc/45/08/07/569450807.db2.gz DYESCXMVQFAVES-UHFFFAOYSA-N 0 0 436.380 3.028 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnnn1-c1cc(C)ccc1OC ZINC000003491315 569452587 /nfs/dbraw/zinc/45/25/87/569452587.db2.gz GCXYMZVAWTYQSC-GFCCVEGCSA-N 0 0 444.473 3.015 50 5 IGBARN COc1ccc(CN(C)C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC ZINC000003533747 569453440 /nfs/dbraw/zinc/45/34/40/569453440.db2.gz FHBRLGKOZTXMNO-UHFFFAOYSA-N 0 0 434.470 3.149 50 5 IGBARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O ZINC000003595243 569454707 /nfs/dbraw/zinc/45/47/07/569454707.db2.gz DJRMZCZBPZMCQB-FQEVSTJZSA-N 0 0 430.848 3.352 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2nc(Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000004157799 569460540 /nfs/dbraw/zinc/46/05/40/569460540.db2.gz JYEVOPNNJVFHSC-UHFFFAOYSA-N 0 0 442.834 3.260 50 5 IGBARN CCc1c(C(=O)NCc2cccc(N3CCCC3=O)c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000032312706 569461091 /nfs/dbraw/zinc/46/10/91/569461091.db2.gz OOXICBMOUMHNKC-UHFFFAOYSA-N 0 0 433.468 3.400 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229621337 569461121 /nfs/dbraw/zinc/46/11/21/569461121.db2.gz NGRVVTWGWQTRJM-YRPNKDGESA-N 0 0 446.463 3.089 50 5 IGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000008441650 569464471 /nfs/dbraw/zinc/46/44/71/569464471.db2.gz UAWIGOYRDVZTCF-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000008449440 569464501 /nfs/dbraw/zinc/46/45/01/569464501.db2.gz LMPLCZLZKDYKHQ-LPTDTENNSA-N 0 0 448.431 3.170 50 5 IGBARN COc1ccc(NC(=O)c2ccc(NN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)cc1 ZINC000008450157 569464546 /nfs/dbraw/zinc/46/45/46/569464546.db2.gz ULWHGNYXJBADCB-UHFFFAOYSA-N 0 0 432.392 3.479 50 5 IGBARN Cc1c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000008726073 569472218 /nfs/dbraw/zinc/47/22/18/569472218.db2.gz USGZXEBSGUHGBX-UHFFFAOYSA-N 0 0 446.529 3.396 50 5 IGBARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000008885279 569483212 /nfs/dbraw/zinc/48/32/12/569483212.db2.gz PZUUNJIPWTWTHC-GOSISDBHSA-N 0 0 437.239 3.307 50 5 IGBARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C ZINC000008885284 569483225 /nfs/dbraw/zinc/48/32/25/569483225.db2.gz LQHHLRBPNKPDOY-HXUWFJFHSA-N 0 0 430.848 3.271 50 5 IGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000040155558 569493989 /nfs/dbraw/zinc/49/39/89/569493989.db2.gz IGASQTSWUQMAQS-AWEZNQCLSA-N 0 0 428.363 3.276 50 5 IGBARN Cc1nn2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc3ccccc3c2nc1=O ZINC000040157420 569494337 /nfs/dbraw/zinc/49/43/37/569494337.db2.gz BWJPSOHAMKZFGC-UHFFFAOYSA-N 0 0 435.553 3.123 50 5 IGBARN CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C(=O)NC1=S ZINC000245254796 569501363 /nfs/dbraw/zinc/50/13/63/569501363.db2.gz CAWPIMQXEPMBLE-PGRDOPGGSA-N 0 0 438.509 3.378 50 5 IGBARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245256794 569501418 /nfs/dbraw/zinc/50/14/18/569501418.db2.gz SYYZSHSUUWGNRU-UVZNROCMSA-N 0 0 445.475 3.461 50 5 IGBARN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000009227574 569513465 /nfs/dbraw/zinc/51/34/65/569513465.db2.gz FKBGWHBWZCDNGS-UHFFFAOYSA-N 0 0 441.893 3.296 50 5 IGBARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009331626 569523058 /nfs/dbraw/zinc/52/30/58/569523058.db2.gz FSIMUIITLVUBGL-VAWZGJIGSA-N 0 0 449.500 3.033 50 5 IGBARN O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000009355762 569525321 /nfs/dbraw/zinc/52/53/21/569525321.db2.gz SILOXTMCYHGDCA-UHFFFAOYSA-N 0 0 446.510 3.244 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009402824 569529418 /nfs/dbraw/zinc/52/94/18/569529418.db2.gz JSWQMUBWDMARPT-UHFFFAOYSA-N 0 0 432.502 3.128 50 5 IGBARN Nc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518209 569543946 /nfs/dbraw/zinc/54/39/46/569543946.db2.gz AUDGCXCAFSOXOB-UHFFFAOYSA-N 0 0 433.396 3.083 50 5 IGBARN O=c1c2ccc3c(=O)n(Cc4ccccc4)c(=O)c4ccc(c(=O)n1Cc1ccccc1)c2c34 ZINC000009546594 569546311 /nfs/dbraw/zinc/54/63/11/569546311.db2.gz LIVNQUYDEVNQBB-UHFFFAOYSA-N 0 0 446.462 3.162 50 5 IGBARN COc1ccc(NC(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])c1 ZINC000009662182 569557065 /nfs/dbraw/zinc/55/70/65/569557065.db2.gz WHGXANVMKKNGIQ-UHFFFAOYSA-N 0 0 426.328 3.009 50 5 IGBARN CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000009665980 569557656 /nfs/dbraw/zinc/55/76/56/569557656.db2.gz VFDAQQMCNVZHTH-UHFFFAOYSA-N 0 0 434.880 3.464 50 5 IGBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000009793678 569568335 /nfs/dbraw/zinc/56/83/35/569568335.db2.gz DLHVNEIBNNTULF-UHFFFAOYSA-N 0 0 431.499 3.485 50 5 IGBARN Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1[N+](=O)[O-] ZINC000010186652 132243305 /nfs/dbraw/zinc/24/33/05/132243305.db2.gz MECWXJBYKPQCKC-UHFFFAOYSA-N 0 0 432.484 3.364 50 5 IGBARN CCOc1ccccc1NC(=S)N1CCN(c2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000008855477 132296215 /nfs/dbraw/zinc/29/62/15/132296215.db2.gz SAJBNSJQSQWYDG-UHFFFAOYSA-N 0 0 444.513 3.299 50 5 IGBARN CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000009907792 132331346 /nfs/dbraw/zinc/33/13/46/132331346.db2.gz ZMGCXUBNFFAMNN-UHFFFAOYSA-N 0 0 443.456 3.259 50 5 IGBARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C ZINC000010728359 132336302 /nfs/dbraw/zinc/33/63/02/132336302.db2.gz OXXLZUMPPMACHT-UHFFFAOYSA-N 0 0 443.456 3.356 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21 ZINC000248250191 518592299 /nfs/dbraw/zinc/59/22/99/518592299.db2.gz IOOAFZCJSSRLCE-ZRNYENFQSA-N 0 0 446.463 3.089 50 5 IGBARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947207 519882220 /nfs/dbraw/zinc/88/22/20/519882220.db2.gz VEXKUUAQQMPRLP-FQEVSTJZSA-N 0 0 441.463 3.463 50 5 IGBARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000012481099 520352083 /nfs/dbraw/zinc/35/20/83/520352083.db2.gz RBQRAZZDXALADF-UHFFFAOYSA-N 0 0 428.276 3.202 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000012526944 520804637 /nfs/dbraw/zinc/80/46/37/520804637.db2.gz ORJCAFBGARNGKE-UHFFFAOYSA-N 0 0 443.529 3.482 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)oc21 ZINC000001075316 522973505 /nfs/dbraw/zinc/97/35/05/522973505.db2.gz HAFSQNZBZVNQIM-UHFFFAOYSA-N 0 0 437.452 3.289 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000035808502 524026455 /nfs/dbraw/zinc/02/64/55/524026455.db2.gz SVKPQABTYLBYBG-NYQDVAGCSA-N 0 0 428.448 3.366 50 5 IGBARN COc1ccc(Nc2nc(O)c(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 ZINC000012786544 524675527 /nfs/dbraw/zinc/67/55/27/524675527.db2.gz HYEXMEBSGVONPU-INIZCTEOSA-N 0 0 430.442 3.051 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012775757 525466708 /nfs/dbraw/zinc/46/67/08/525466708.db2.gz DRNXWQBBFYFUJG-UHFFFAOYSA-N 0 0 428.470 3.282 50 5 IGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012372257 525523095 /nfs/dbraw/zinc/52/30/95/525523095.db2.gz VZXRWQTZDLSZOT-UHFFFAOYSA-N 0 0 441.223 3.019 50 5 IGBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000012446609 525578914 /nfs/dbraw/zinc/57/89/14/525578914.db2.gz YQARLJLCTQWIJJ-UHFFFAOYSA-N 0 0 448.395 3.184 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1 ZINC000012565264 525662652 /nfs/dbraw/zinc/66/26/52/525662652.db2.gz GZJRTGVFFFEYKS-ZDUSSCGKSA-N 0 0 425.894 3.442 50 5 IGBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCSCC1 ZINC000035870970 526569513 /nfs/dbraw/zinc/56/95/13/526569513.db2.gz FRCHUXRQHQSRHN-UNMCSNQZSA-N 0 0 438.553 3.038 50 5 IGBARN O=C(c1ccccc1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000016393770 526793856 /nfs/dbraw/zinc/79/38/56/526793856.db2.gz FHQBYYBGNFHTQR-QGZVFWFLSA-N 0 0 428.464 3.287 50 5 IGBARN O=C1c2oc3c4ccccc4ccc3c(=O)c2[C@H](c2cccnc2)N1CCN1CCOCC1 ZINC000020308788 527136957 /nfs/dbraw/zinc/13/69/57/527136957.db2.gz CJVUSJGRPWXEOK-QFIPXVFZSA-N 0 0 441.487 3.219 50 5 IGBARN CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000008672191 535522553 /nfs/dbraw/zinc/52/25/53/535522553.db2.gz JIAWUUBQVZRHIG-UHFFFAOYSA-N 0 0 444.557 3.416 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC000009088366 535632767 /nfs/dbraw/zinc/63/27/67/535632767.db2.gz JGJNCKXJUIJLJL-UHFFFAOYSA-N 0 0 449.529 3.205 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032797288 556364041 /nfs/dbraw/zinc/36/40/41/556364041.db2.gz QZHKPBRHCFOAAZ-HXUWFJFHSA-N 0 0 434.456 3.102 50 5 IGBARN O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc2sccn21 ZINC000059949841 556365382 /nfs/dbraw/zinc/36/53/82/556365382.db2.gz QSOYHUYOVKZMEA-UHFFFAOYSA-N 0 0 439.419 3.005 50 5 IGBARN O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000229903653 556406698 /nfs/dbraw/zinc/40/66/98/556406698.db2.gz QHIVKBRVVQMSNR-UWJYYQICSA-N 0 0 440.843 3.043 50 5 IGBARN NC(=O)c1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c([N+](=O)[O-])c1 ZINC000032841293 556427060 /nfs/dbraw/zinc/42/70/60/556427060.db2.gz AZCZHYCYWBFWAA-LBPRGKRZSA-N 0 0 434.378 3.139 50 5 IGBARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000032901239 556534710 /nfs/dbraw/zinc/53/47/10/556534710.db2.gz VNSRRPXYXWHICQ-LJQANCHMSA-N 0 0 432.498 3.417 50 5 IGBARN NC(=O)c1cc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)c[nH]1 ZINC000032901927 556538339 /nfs/dbraw/zinc/53/83/39/556538339.db2.gz UQGPOGYDFRWTNH-UHFFFAOYSA-N 0 0 443.488 3.344 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21 ZINC000248263321 556677757 /nfs/dbraw/zinc/67/77/57/556677757.db2.gz NGRVVTWGWQTRJM-ZRNYENFQSA-N 0 0 446.463 3.089 50 5 IGBARN O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023105413 557001001 /nfs/dbraw/zinc/00/10/01/557001001.db2.gz DGUCKEFSFHFEEI-UHFFFAOYSA-N 0 0 444.491 3.467 50 5 IGBARN Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000678163 557132898 /nfs/dbraw/zinc/13/28/98/557132898.db2.gz YDLTXQKVPJNCPI-UHFFFAOYSA-N 0 0 439.493 3.415 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ncccc12 ZINC000024754097 557133765 /nfs/dbraw/zinc/13/37/65/557133765.db2.gz QTZCMXCTSQPJCX-UHFFFAOYSA-N 0 0 438.918 3.369 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1Cc1ccccc1)c2=O ZINC000100861096 557193192 /nfs/dbraw/zinc/19/31/92/557193192.db2.gz ASUQAFVNRIKOHS-UHFFFAOYSA-N 0 0 427.508 3.158 50 5 IGBARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000837559 557279679 /nfs/dbraw/zinc/27/96/79/557279679.db2.gz GHTMHJPGWGYTIB-ZDUSSCGKSA-N 0 0 447.241 3.136 50 5 IGBARN COc1ccc(CCN(C)C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000014197788 557316485 /nfs/dbraw/zinc/31/64/85/557316485.db2.gz LGGGFMQDPNDOOF-UHFFFAOYSA-N 0 0 436.848 3.123 50 5 IGBARN CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCC)[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000102745749 557377973 /nfs/dbraw/zinc/37/79/73/557377973.db2.gz RMBMDRRAVRFHAM-GOSISDBHSA-N 0 0 430.486 3.259 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccncc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000102755729 557383958 /nfs/dbraw/zinc/38/39/58/557383958.db2.gz JRUIPQJNOSVULG-NJDAHSKKSA-N 0 0 430.420 3.037 50 5 IGBARN COc1ccc(-n2c(O)c3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000103618328 557439199 /nfs/dbraw/zinc/43/91/99/557439199.db2.gz ZQUYTOZKARLXOD-UNMCSNQZSA-N 0 0 442.431 3.386 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000103999956 557447314 /nfs/dbraw/zinc/44/73/14/557447314.db2.gz VXWNHYQXRDWVHF-GOEBONIOSA-N 0 0 436.207 3.203 50 5 IGBARN O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12 ZINC000104920415 557465914 /nfs/dbraw/zinc/46/59/14/557465914.db2.gz TVLGBKIXAHXMPD-RBBKRZOGSA-N 0 0 435.528 3.306 50 5 IGBARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001132033 562920563 /nfs/dbraw/zinc/92/05/63/562920563.db2.gz BXWILQLPTWQXHH-UHFFFAOYSA-N 0 0 426.454 3.132 50 5 IGBARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002660804 562929645 /nfs/dbraw/zinc/92/96/45/562929645.db2.gz FEGYLXVTZIGKMV-UHFFFAOYSA-N 0 0 441.444 3.376 50 5 IGBARN CN(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003400070 562935183 /nfs/dbraw/zinc/93/51/83/562935183.db2.gz AJSYSVUDFROZNK-UHFFFAOYSA-N 0 0 446.257 3.002 50 5 IGBARN O=C(NCCOc1ccccc1)c1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1 ZINC000008690733 562963197 /nfs/dbraw/zinc/96/31/97/562963197.db2.gz MSICLLJJNBVACS-UHFFFAOYSA-N 0 0 449.463 3.212 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000009562464 562973302 /nfs/dbraw/zinc/97/33/02/562973302.db2.gz GZMOEDMOHBHDHA-UHFFFAOYSA-N 0 0 436.490 3.071 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Br)cc1 ZINC000020101805 563023630 /nfs/dbraw/zinc/02/36/30/563023630.db2.gz CWMNFXAWTMULPG-UHFFFAOYSA-N 0 0 449.257 3.234 50 5 IGBARN Cc1cc(N2CCN(CC(=O)Nc3c(C)c(C)ccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000015032900 568633072 /nfs/dbraw/zinc/63/30/72/568633072.db2.gz VGHFJSTUMMIPKS-UHFFFAOYSA-N 0 0 426.521 3.194 50 5 IGBARN CCNc1nc2c(s1)[C@@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC(=O)N2 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3.464 50 5 IGBARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027527661 569263324 /nfs/dbraw/zinc/26/33/24/569263324.db2.gz GGFWIDHCRVAFFR-UHFFFAOYSA-N 0 0 430.420 3.293 50 5 IGBARN CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000253427270 569267384 /nfs/dbraw/zinc/26/73/84/569267384.db2.gz OOVHQGOYNSYVDY-HNNXBMFYSA-N 0 0 438.912 3.015 50 5 IGBARN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc(I)c1 ZINC000008916905 569292318 /nfs/dbraw/zinc/29/23/18/569292318.db2.gz UBXNOYKKYUWWQS-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008972985 569292698 /nfs/dbraw/zinc/29/26/98/569292698.db2.gz KFOJVJMJGTWBEJ-UHFFFAOYSA-N 0 0 449.423 3.468 50 5 IGBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012974109 569305573 /nfs/dbraw/zinc/30/55/73/569305573.db2.gz LPCQMJCMXBJCHV-UHFFFAOYSA-N 0 0 437.422 3.468 50 5 IGBARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000013017555 569307167 /nfs/dbraw/zinc/30/71/67/569307167.db2.gz OXKVUUFDPIMMNU-OWOJBTEDSA-N 0 0 440.195 3.220 50 5 IGBARN CCCn1c(=O)c2c(C(=O)OCC)cc(-c3cccc([N+](=O)[O-])c3)nc2n(CCC)c1=O ZINC000013114326 569310651 /nfs/dbraw/zinc/31/06/51/569310651.db2.gz PAWLCYFJFGHLPG-UHFFFAOYSA-N 0 0 440.456 3.130 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(NCCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000078990286 569321506 /nfs/dbraw/zinc/32/15/06/569321506.db2.gz UBNGWJUBKATXHW-UHFFFAOYSA-N 0 0 445.501 3.330 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019853417 569330363 /nfs/dbraw/zinc/33/03/63/569330363.db2.gz VERQNLZNFYTOQK-UHFFFAOYSA-N 0 0 429.420 3.120 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022309462 569402837 /nfs/dbraw/zinc/40/28/37/569402837.db2.gz JYCVJGGXYQNUDC-UHFFFAOYSA-N 0 0 430.530 3.096 50 5 IGBARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)c(C)c1 ZINC000002766004 569420612 /nfs/dbraw/zinc/42/06/12/569420612.db2.gz MMLIPPUPWJBZCW-UHFFFAOYSA-N 0 0 443.485 3.307 50 5 IGBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C)CCC2 ZINC000002786238 569421169 /nfs/dbraw/zinc/42/11/69/569421169.db2.gz APAZAVKCCURGDP-UHFFFAOYSA-N 0 0 432.380 3.094 50 5 IGBARN COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002786049 569421320 /nfs/dbraw/zinc/42/13/20/569421320.db2.gz BKEJERDXTIPXIH-CTNGQTDRSA-N 0 0 447.451 3.018 50 5 IGBARN C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000002873626 569423841 /nfs/dbraw/zinc/42/38/41/569423841.db2.gz CCHVJSYTBLVXNW-CYBMUJFWSA-N 0 0 425.470 3.189 50 5 IGBARN O=C(CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N1CCc2ccccc21 ZINC000002997582 569434913 /nfs/dbraw/zinc/43/49/13/569434913.db2.gz YIGMHGRRKBHUNR-UHFFFAOYSA-N 0 0 441.494 3.380 50 5 IGBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccccc1[N+](=O)[O-] ZINC000003008812 569435081 /nfs/dbraw/zinc/43/50/81/569435081.db2.gz UFMLYOFAFGDVAO-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1cccc([N+](=O)[O-])c1 ZINC000003008975 569435092 /nfs/dbraw/zinc/43/50/92/569435092.db2.gz JNOYHFNBJMXDGM-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN CCc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057478197 569435842 /nfs/dbraw/zinc/43/58/42/569435842.db2.gz HBADMJABPBGHAB-UHFFFAOYSA-N 0 0 447.539 3.486 50 5 IGBARN COc1cccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000057653105 569440679 /nfs/dbraw/zinc/44/06/79/569440679.db2.gz FCGSHKBNUSLLGG-INIZCTEOSA-N 0 0 435.484 3.301 50 5 IGBARN O=C(NCCCn1cccn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000030171174 569440997 /nfs/dbraw/zinc/44/09/97/569440997.db2.gz MBYYJQIZBYNKPJ-UHFFFAOYSA-N 0 0 425.411 3.233 50 5 IGBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000003270604 569443580 /nfs/dbraw/zinc/44/35/80/569443580.db2.gz UMDQNUIVVBKULG-UHFFFAOYSA-N 0 0 427.196 3.484 50 5 IGBARN Cc1cccc(C)c1OCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000003448570 569451511 /nfs/dbraw/zinc/45/15/11/569451511.db2.gz VQKDWMPLHACSHQ-UHFFFAOYSA-N 0 0 429.458 3.122 50 5 IGBARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003497221 569452704 /nfs/dbraw/zinc/45/27/04/569452704.db2.gz SNVCMIBXGWWAGF-UHFFFAOYSA-N 0 0 434.865 3.353 50 5 IGBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cn2ccsc2n1 ZINC000058305341 569452738 /nfs/dbraw/zinc/45/27/38/569452738.db2.gz VOCOLGLRVNZECX-OAHLLOKOSA-N 0 0 435.893 3.028 50 5 IGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000003623208 569455139 /nfs/dbraw/zinc/45/51/39/569455139.db2.gz KMNHZMYHCRXOQP-INIZCTEOSA-N 0 0 442.877 3.230 50 5 IGBARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C ZINC000008623682 569469516 /nfs/dbraw/zinc/46/95/16/569469516.db2.gz KMRCYCZOZHCMMR-HXUWFJFHSA-N 0 0 430.848 3.271 50 5 IGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1ccccc1I ZINC000008662197 569469904 /nfs/dbraw/zinc/46/99/04/569469904.db2.gz GTAAKBPKKIFDPL-NTEUORMPSA-N 0 0 435.177 3.456 50 5 IGBARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000008718322 569471245 /nfs/dbraw/zinc/47/12/45/569471245.db2.gz WQGSCOBOVJPNEV-FQEVSTJZSA-N 0 0 449.366 3.030 50 5 IGBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008826468 569477572 /nfs/dbraw/zinc/47/75/72/569477572.db2.gz FOVBARYGHGOEMX-JTQLQIEISA-N 0 0 442.255 3.490 50 5 IGBARN O=C(NCc1ccccc1F)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008883294 569483029 /nfs/dbraw/zinc/48/30/29/569483029.db2.gz YTZCERVMEMBOIH-UHFFFAOYSA-N 0 0 430.413 3.432 50 5 IGBARN Cc1c([C@@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000040071068 569485653 /nfs/dbraw/zinc/48/56/53/569485653.db2.gz UITUUBIYJPASQC-CYBMUJFWSA-N 0 0 435.419 3.300 50 5 IGBARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000008921837 569486903 /nfs/dbraw/zinc/48/69/03/569486903.db2.gz RRELASJBRXAYLY-LJQANCHMSA-N 0 0 449.257 3.193 50 5 IGBARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000009030706 569497097 /nfs/dbraw/zinc/49/70/97/569497097.db2.gz SYQWTXRPPSFUKL-UHFFFAOYSA-N 0 0 446.437 3.486 50 5 IGBARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245255446 569501412 /nfs/dbraw/zinc/50/14/12/569501412.db2.gz IHGXQWDGNSOYBF-CMOCDZPBSA-N 0 0 445.475 3.463 50 5 IGBARN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccccc2OC)n1 ZINC000245324855 569503344 /nfs/dbraw/zinc/50/33/44/569503344.db2.gz ARQCTSGZTDGSCV-SAWYMBPVSA-N 0 0 428.489 3.328 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(Br)cc1 ZINC000009124859 569504411 /nfs/dbraw/zinc/50/44/11/569504411.db2.gz KKDCUPFWGCSSCO-UHFFFAOYSA-N 0 0 442.291 3.122 50 5 IGBARN O=C(NCCc1ccc(F)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009365972 569526203 /nfs/dbraw/zinc/52/62/03/569526203.db2.gz HIKQCELRJRKWSY-UHFFFAOYSA-N 0 0 444.440 3.474 50 5 IGBARN CSc1nnc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000009369037 569526675 /nfs/dbraw/zinc/52/66/75/569526675.db2.gz PVXCJGXEAACYAR-UHFFFAOYSA-N 0 0 428.430 3.044 50 5 IGBARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc([N+](=O)[O-])o3)n(Cc3ccccc3)c21 ZINC000009442199 569535480 /nfs/dbraw/zinc/53/54/80/569535480.db2.gz GHDSWAPTDIBONA-UHFFFAOYSA-N 0 0 443.419 3.151 50 5 IGBARN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 ZINC000009461170 569537002 /nfs/dbraw/zinc/53/70/02/569537002.db2.gz NGRVVTWGWQTRJM-FUMNGEBKSA-N 0 0 446.463 3.089 50 5 IGBARN Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000009468505 569538576 /nfs/dbraw/zinc/53/85/76/569538576.db2.gz ZUDYIYBQRXHNSL-UHFFFAOYSA-N 0 0 432.502 3.006 50 5 IGBARN CCOC(=O)c1cc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C(=O)OCC)c1 ZINC000009507002 569541883 /nfs/dbraw/zinc/54/18/83/569541883.db2.gz XMYNPEATSGHTAR-UHFFFAOYSA-N 0 0 437.426 3.024 50 5 IGBARN O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCc2ccccc21 ZINC000009712978 569562415 /nfs/dbraw/zinc/56/24/15/569562415.db2.gz LUUHHUNEMOSRHT-UHFFFAOYSA-N 0 0 449.916 3.238 50 5 IGBARN Cc1nc2c3ccccc3n3c(CCCC(=O)NCCc4cccc(C)c4)nnc3n2n1 ZINC000009860224 569571844 /nfs/dbraw/zinc/57/18/44/569571844.db2.gz SBRYYUHVXZSJRS-UHFFFAOYSA-N 0 0 427.512 3.224 50 5 IGBARN Cc1nc2ccc(NC(=O)c3ccc(Sc4nnnn4C)c([N+](=O)[O-])c3)cc2s1 ZINC000009884597 569572796 /nfs/dbraw/zinc/57/27/96/569572796.db2.gz CMMXGFVEHZIROB-UHFFFAOYSA-N 0 0 427.471 3.440 50 5 IGBARN Cc1c(C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cccc1[N+](=O)[O-] ZINC000010186656 569578448 /nfs/dbraw/zinc/57/84/48/569578448.db2.gz OBRKFDCQXRGALO-UHFFFAOYSA-N 0 0 432.484 3.364 50 5 IGBARN COc1ccccc1N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000009086744 132226614 /nfs/dbraw/zinc/22/66/14/132226614.db2.gz MDUBHEFQLGZXEY-UHFFFAOYSA-N 0 0 445.419 3.224 50 5 IGBARN Cc1cc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)ccc1[N+](=O)[O-] ZINC000010186606 132243137 /nfs/dbraw/zinc/24/31/37/132243137.db2.gz HBHCBEFEKUMREA-UHFFFAOYSA-N 0 0 432.484 3.364 50 5 IGBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000004121266 132270218 /nfs/dbraw/zinc/27/02/18/132270218.db2.gz BJJGTRMREJSILU-UHFFFAOYSA-N 0 0 441.444 3.204 50 5 IGBARN Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000006801360 132279143 /nfs/dbraw/zinc/27/91/43/132279143.db2.gz WSIKRGJRUJBORQ-UHFFFAOYSA-N 0 0 426.521 3.223 50 5 IGBARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009290504 132312724 /nfs/dbraw/zinc/31/27/24/132312724.db2.gz IROBTKQKJGKDHZ-CQSZACIVSA-N 0 0 434.290 3.473 50 5 IGBARN Cc1sc2nc3c4ccccc4c(N4CCN(C(=O)C5CC5)CC4)nn3c(=O)c2c1C ZINC000009478424 132319091 /nfs/dbraw/zinc/31/90/91/132319091.db2.gz LUFYIIDAJNYEBL-UHFFFAOYSA-N 0 0 433.537 3.133 50 5 IGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1OC ZINC000009601714 132323024 /nfs/dbraw/zinc/32/30/24/132323024.db2.gz NGCZEBPTSKBTCI-UHFFFAOYSA-N 0 0 426.473 3.149 50 5 IGBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl ZINC000009906288 132331061 /nfs/dbraw/zinc/33/10/61/132331061.db2.gz WYQTUITUOROUJV-UHFFFAOYSA-N 0 0 444.919 3.356 50 5 IGBARN COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)cc3C)c2)CC1 ZINC000009971908 132333442 /nfs/dbraw/zinc/33/34/42/132333442.db2.gz NXSNQIAIBWLUFC-UHFFFAOYSA-N 0 0 435.484 3.368 50 5 IGBARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000010728352 132336308 /nfs/dbraw/zinc/33/63/08/132336308.db2.gz XQXJQIFSOFTQDJ-UHFFFAOYSA-N 0 0 447.513 3.192 50 5 IGBARN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013469230 132347004 /nfs/dbraw/zinc/34/70/04/132347004.db2.gz JIMWSHVBEBKGBK-UHFFFAOYSA-N 0 0 444.797 3.390 50 5 IGBARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000012909544 519825642 /nfs/dbraw/zinc/82/56/42/519825642.db2.gz ATWQAAQIKJQUBD-UNEWFSDZSA-N 0 0 441.502 3.159 50 5 IGBARN CC(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023078672 519845143 /nfs/dbraw/zinc/84/51/43/519845143.db2.gz RKYYMFODRDXBAV-UHFFFAOYSA-N 0 0 427.457 3.350 50 5 IGBARN CCOc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)cc1OC ZINC000012780545 521262383 /nfs/dbraw/zinc/26/23/83/521262383.db2.gz RIUFONBQSOCDMW-IBGZPJMESA-N 0 0 443.500 3.114 50 5 IGBARN CCS(=O)(=O)c1ccc(Sc2nnc(COc3ccccc3)n2C)c([N+](=O)[O-])c1 ZINC000012412548 521690162 /nfs/dbraw/zinc/69/01/62/521690162.db2.gz UJDMOKHEDRUVNO-UHFFFAOYSA-N 0 0 434.499 3.247 50 5 IGBARN COc1cc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])ccn1 ZINC000012554527 522493128 /nfs/dbraw/zinc/49/31/28/522493128.db2.gz YSFZMLVWAJDWEA-UHFFFAOYSA-N 0 0 434.518 3.468 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)nc21 ZINC000015391481 522973327 /nfs/dbraw/zinc/97/33/27/522973327.db2.gz JGYLBFZJRWPQHA-UHFFFAOYSA-N 0 0 435.483 3.324 50 5 IGBARN CCn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000012237963 523271709 /nfs/dbraw/zinc/27/17/09/523271709.db2.gz OLMFZCFIZLSQQT-CZIZESTLSA-N 0 0 437.474 3.061 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] ZINC000012857723 523682142 /nfs/dbraw/zinc/68/21/42/523682142.db2.gz GSPZLDUFIDHYAC-UHFFFAOYSA-N 0 0 427.438 3.483 50 5 IGBARN Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C ZINC000022028667 524564396 /nfs/dbraw/zinc/56/43/96/524564396.db2.gz WLAJDMGWVCIMJO-HOTGVXAUSA-N 0 0 425.441 3.135 50 5 IGBARN Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C ZINC000022028676 524567902 /nfs/dbraw/zinc/56/79/02/524567902.db2.gz WLAJDMGWVCIMJO-JKSUJKDBSA-N 0 0 425.441 3.135 50 5 IGBARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000012818193 524893716 /nfs/dbraw/zinc/89/37/16/524893716.db2.gz GTCIUTZLCYZILU-SFHVURJKSA-N 0 0 427.457 3.014 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013113251 525469946 /nfs/dbraw/zinc/46/99/46/525469946.db2.gz AJTKSTRTACWOCS-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012556363 526078311 /nfs/dbraw/zinc/07/83/11/526078311.db2.gz SQOGZPAUYIFRGW-OAQYLSRUSA-N 0 0 438.484 3.122 50 5 IGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1occc1CS(=O)(=O)c1ccccc1 ZINC000022023409 526339714 /nfs/dbraw/zinc/33/97/14/526339714.db2.gz QNEHRDMNEUKCLX-UHFFFAOYSA-N 0 0 429.454 3.004 50 5 IGBARN O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000012360099 526459858 /nfs/dbraw/zinc/45/98/58/526459858.db2.gz HTXGNAQHNUHVTJ-RGEXLXHISA-N 0 0 445.435 3.194 50 5 IGBARN O=C(NCc1ccccc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000001065201 526734593 /nfs/dbraw/zinc/73/45/93/526734593.db2.gz IFAHKHMVQHXDQS-OAQYLSRUSA-N 0 0 429.432 3.119 50 5 IGBARN O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCN(Cc2ccccc2)CC1 ZINC000020646284 526816621 /nfs/dbraw/zinc/81/66/21/526816621.db2.gz PIYOFNICGHTMNQ-UHFFFAOYSA-N 0 0 432.911 3.459 50 5 IGBARN O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc2c(c1)OCO2 ZINC000036046638 527092340 /nfs/dbraw/zinc/09/23/40/527092340.db2.gz USVIGHKDNMDKSO-GRSYGWAWSA-N 0 0 429.432 3.336 50 5 IGBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl ZINC000012564746 527316748 /nfs/dbraw/zinc/31/67/48/527316748.db2.gz QWVAVQOIIJOFKD-GFCCVEGCSA-N 0 0 428.704 3.008 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024236412 527546540 /nfs/dbraw/zinc/54/65/40/527546540.db2.gz JSWGFYVAZXDBJE-HXUWFJFHSA-N 0 0 434.456 3.102 50 5 IGBARN C[C@@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000032882731 556509309 /nfs/dbraw/zinc/50/93/09/556509309.db2.gz JXQFKOZOVHXGHH-ZIAGYGMSSA-N 0 0 446.470 3.420 50 5 IGBARN CCCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1ccccn1c2=O ZINC000013514164 556511193 /nfs/dbraw/zinc/51/11/93/556511193.db2.gz NSIKVXSDXOLBGN-UHFFFAOYSA-N 0 0 445.523 3.257 50 5 IGBARN CC[C@@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC000072302498 556546870 /nfs/dbraw/zinc/54/68/70/556546870.db2.gz XVTJPESLWJXOKV-BEFAXECRSA-N 0 0 443.472 3.484 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCCNc1ccccn1 ZINC000032935575 556678457 /nfs/dbraw/zinc/67/84/57/556678457.db2.gz AIGKWYJCZJYFSP-UHFFFAOYSA-N 0 0 433.534 3.469 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(CCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022998575 556841063 /nfs/dbraw/zinc/84/10/63/556841063.db2.gz CRISMJMYEFNUMR-UHFFFAOYSA-N 0 0 448.451 3.462 50 5 IGBARN Cn1cc([N+](=O)[O-])c(-c2ccn3nc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3n2)n1 ZINC000013961209 557006172 /nfs/dbraw/zinc/00/61/72/557006172.db2.gz ALBPSEKVOKKABO-UHFFFAOYSA-N 0 0 431.334 3.309 50 5 IGBARN COc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754960 557168966 /nfs/dbraw/zinc/16/89/66/557168966.db2.gz DOFRLZITIMDQOT-FQEVSTJZSA-N 0 0 445.431 3.449 50 5 IGBARN CCOC(=O)C1=C(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccco1 ZINC000024863525 557172809 /nfs/dbraw/zinc/17/28/09/557172809.db2.gz FKANSJXSQHVHSN-ORAYPTAESA-N 0 0 428.445 3.052 50 5 IGBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010970921 557182440 /nfs/dbraw/zinc/18/24/40/557182440.db2.gz NCQOOTXONPHADT-LBPRGKRZSA-N 0 0 430.848 3.084 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1Cc1ccc(F)cc1)c2=O ZINC000101111164 557255890 /nfs/dbraw/zinc/25/58/90/557255890.db2.gz AAOGXTPEJATQRN-UHFFFAOYSA-N 0 0 445.498 3.297 50 5 IGBARN COC(=O)c1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc([N+](=O)[O-])c1 ZINC000024945411 557258518 /nfs/dbraw/zinc/25/85/18/557258518.db2.gz UIEVPOPSNSEGSS-UHFFFAOYSA-N 0 0 437.202 3.167 50 5 IGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 ZINC000101326149 557273175 /nfs/dbraw/zinc/27/31/75/557273175.db2.gz LIVYOMBEOOPSOS-IAGOWNOFSA-N 0 0 434.404 3.090 50 5 IGBARN Cc1ccccc1CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000014185996 557313685 /nfs/dbraw/zinc/31/36/85/557313685.db2.gz PFMMELVHTRHUSL-UHFFFAOYSA-N 0 0 439.493 3.415 50 5 IGBARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000102783267 557387635 /nfs/dbraw/zinc/38/76/35/557387635.db2.gz LPVNYCMLEMZXQI-OYRHEFFESA-N 0 0 446.507 3.373 50 5 IGBARN O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104914896 557464782 /nfs/dbraw/zinc/46/47/82/557464782.db2.gz BOYGYZQPTTYSTJ-LADGPHEKSA-N 0 0 443.507 3.174 50 5 IGBARN Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1 ZINC000229905997 557833907 /nfs/dbraw/zinc/83/39/07/557833907.db2.gz FBUZACFTWAVIGW-RDPSFJRHSA-N 0 0 448.479 3.396 50 5 IGBARN CCn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693816 557848674 /nfs/dbraw/zinc/84/86/74/557848674.db2.gz PHLOJQGDUPTRNH-UHFFFAOYSA-N 0 0 433.468 3.449 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)s1 ZINC000025055571 557856629 /nfs/dbraw/zinc/85/66/29/557856629.db2.gz QSZJAEYUBISZDX-LBPRGKRZSA-N 0 0 427.479 3.143 50 5 IGBARN NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000003369512 562934966 /nfs/dbraw/zinc/93/49/66/562934966.db2.gz PDZHTLVMZXEBHV-GFCCVEGCSA-N 0 0 431.499 3.344 50 5 IGBARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)on1 ZINC000015935179 563018483 /nfs/dbraw/zinc/01/84/83/563018483.db2.gz JVYYNKOFPZEOOM-UHFFFAOYSA-N 0 0 442.497 3.378 50 5 IGBARN COc1cc(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000025374235 568653971 /nfs/dbraw/zinc/65/39/71/568653971.db2.gz FARJNMDLDJTVPN-UHFFFAOYSA-N 0 0 438.383 3.398 50 5 IGBARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000001194248 568736307 /nfs/dbraw/zinc/73/63/07/568736307.db2.gz GAAXVYQNQCFKBA-ZKKFKWFVSA-N 0 0 426.428 3.480 50 5 IGBARN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCN1CCOCC1)c1ccccc1 ZINC000084077428 568791730 /nfs/dbraw/zinc/79/17/30/568791730.db2.gz RKQPTELCZRYOHN-UHFFFAOYSA-N 0 0 439.921 3.084 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000015970613 568861083 /nfs/dbraw/zinc/86/10/83/568861083.db2.gz SVKPQABTYLBYBG-GQOCTPOGSA-N 0 0 428.448 3.366 50 5 IGBARN C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]34)cc2NC1=O ZINC000036385420 569093033 /nfs/dbraw/zinc/09/30/33/569093033.db2.gz PUVFPCQBSMPODY-QKMWGZLOSA-N 0 0 436.468 3.484 50 5 IGBARN Cc1cccc(C(=O)OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] ZINC000013159870 569125806 /nfs/dbraw/zinc/12/58/06/569125806.db2.gz DIKUXODIPCMEJA-HXUWFJFHSA-N 0 0 428.441 3.345 50 5 IGBARN Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000089651388 569160607 /nfs/dbraw/zinc/16/06/07/569160607.db2.gz HEDBWFLBQSCWLM-QGZVFWFLSA-N 0 0 426.429 3.154 50 5 IGBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1c1ccccc1 ZINC000017028501 569171252 /nfs/dbraw/zinc/17/12/52/569171252.db2.gz BUMYVVCJEIASFD-XXBNENTESA-N 0 0 436.468 3.192 50 5 IGBARN CC(C)n1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2F)c1=O ZINC000037558652 569200821 /nfs/dbraw/zinc/20/08/21/569200821.db2.gz BAKJEEZSLRVQBA-UHFFFAOYSA-N 0 0 441.394 3.165 50 5 IGBARN C[C@H](Oc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002225456 569204474 /nfs/dbraw/zinc/20/44/74/569204474.db2.gz GQGAGOBYWUTPNY-LBPRGKRZSA-N 0 0 433.467 3.290 50 5 IGBARN CCOC(=O)c1c(N)n(CCOC(=O)c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12 ZINC000002307302 569271998 /nfs/dbraw/zinc/27/19/98/569271998.db2.gz VRIVHACICYAPMW-UHFFFAOYSA-N 0 0 449.423 3.109 50 5 IGBARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009328728 569295534 /nfs/dbraw/zinc/29/55/34/569295534.db2.gz QQVFDOIFEGZLBR-UHFFFAOYSA-N 0 0 440.485 3.118 50 5 IGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009694210 569297724 /nfs/dbraw/zinc/29/77/24/569297724.db2.gz RVRHHDYYSZAWOI-UHFFFAOYSA-N 0 0 441.403 3.373 50 5 IGBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1C ZINC000012996422 569305955 /nfs/dbraw/zinc/30/59/55/569305955.db2.gz VJYZPXHDCMUHKB-UHFFFAOYSA-N 0 0 446.554 3.328 50 5 IGBARN CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000013012126 569306876 /nfs/dbraw/zinc/30/68/76/569306876.db2.gz HMLUTVGNNFHJRL-ZDUSSCGKSA-N 0 0 442.515 3.126 50 5 IGBARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC ZINC000013109537 569310119 /nfs/dbraw/zinc/31/01/19/569310119.db2.gz DSOGHXYYULAIGH-UHFFFAOYSA-N 0 0 449.485 3.039 50 5 IGBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cn2cc(Cl)ccc2n1 ZINC000019431400 569319451 /nfs/dbraw/zinc/31/94/51/569319451.db2.gz AUAVPGRVZRUYIZ-UHFFFAOYSA-N 0 0 430.804 3.327 50 5 IGBARN Cn1c(=O)c([N+](=O)[O-])c(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000019808184 569329812 /nfs/dbraw/zinc/32/98/12/569329812.db2.gz VDJDONHIKKHKRG-UHFFFAOYSA-N 0 0 442.903 3.301 50 5 IGBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000019879088 569331489 /nfs/dbraw/zinc/33/14/89/569331489.db2.gz JKAGJSGDRRPKKZ-INIZCTEOSA-N 0 0 426.372 3.167 50 5 IGBARN CC(C)c1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1 ZINC000020108225 569334415 /nfs/dbraw/zinc/33/44/15/569334415.db2.gz ODKOWQPPKPLIKQ-NRFANRHFSA-N 0 0 427.457 3.459 50 5 IGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000020358432 569361769 /nfs/dbraw/zinc/36/17/69/569361769.db2.gz GUDLRFKUINIPKG-MHORFTMASA-N 0 0 438.827 3.326 50 5 IGBARN COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000095459433 569369507 /nfs/dbraw/zinc/36/95/07/569369507.db2.gz QBTFFARJIVSUGD-MRXNPFEDSA-N 0 0 425.551 3.268 50 5 IGBARN CCn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000334157866 569402095 /nfs/dbraw/zinc/40/20/95/569402095.db2.gz OQLKHSTZEDIAER-UHFFFAOYSA-O 0 0 425.450 3.268 50 5 IGBARN O=C(NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000225669801 569406406 /nfs/dbraw/zinc/40/64/06/569406406.db2.gz AELZQYXEZOLZJZ-GFCCVEGCSA-N 0 0 448.775 3.244 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000002629308 569412036 /nfs/dbraw/zinc/41/20/36/569412036.db2.gz JRGVTOFGEGWHFQ-SNVBAGLBSA-N 0 0 435.458 3.424 50 5 IGBARN Cc1cc(C)n(CCCn2c(=O)c3ccccc3nc2SCn2ccc([N+](=O)[O-])n2)n1 ZINC000002733622 569419662 /nfs/dbraw/zinc/41/96/62/569419662.db2.gz JTUFPGMUFSZSCN-UHFFFAOYSA-N 0 0 439.501 3.155 50 5 IGBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000002794617 569421541 /nfs/dbraw/zinc/42/15/41/569421541.db2.gz FGXKKWZZOQBPIU-UHFFFAOYSA-N 0 0 439.497 3.440 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002849407 569423366 /nfs/dbraw/zinc/42/33/66/569423366.db2.gz DKFKNTMVWSWPDD-UHFFFAOYSA-N 0 0 432.285 3.469 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000002870455 569423725 /nfs/dbraw/zinc/42/37/25/569423725.db2.gz LSJCMALZPSFLIW-UHFFFAOYSA-N 0 0 448.284 3.315 50 5 IGBARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccccc1 ZINC000003009199 569435261 /nfs/dbraw/zinc/43/52/61/569435261.db2.gz UWJGIEKJQMJZRX-QGZVFWFLSA-N 0 0 440.481 3.341 50 5 IGBARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003366898 569448192 /nfs/dbraw/zinc/44/81/92/569448192.db2.gz PIZBWMHNDZVZAM-NSHDSACASA-N 0 0 435.820 3.432 50 5 IGBARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c([N+](=O)[O-])cc1OC ZINC000003449734 569451577 /nfs/dbraw/zinc/45/15/77/569451577.db2.gz YARLUQIQJUQISS-OAHLLOKOSA-N 0 0 446.456 3.249 50 5 IGBARN Cc1nn(CC(=O)OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000003452590 569451741 /nfs/dbraw/zinc/45/17/41/569451741.db2.gz URKYWALWLLVAED-UHFFFAOYSA-N 0 0 443.485 3.098 50 5 IGBARN CCOC(=O)C[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000003622626 569455128 /nfs/dbraw/zinc/45/51/28/569455128.db2.gz QAGANXXAMHGXQW-INIZCTEOSA-N 0 0 432.429 3.045 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000008616611 569469369 /nfs/dbraw/zinc/46/93/69/569469369.db2.gz HXBMFTKKJWDZEN-UHFFFAOYSA-N 0 0 428.323 3.467 50 5 IGBARN CCCCn1cc2c(c1-c1cc([N+](=O)[O-])ccc1Br)c(=O)n(C)c(=O)n2C ZINC000008739814 569472497 /nfs/dbraw/zinc/47/24/97/569472497.db2.gz LCAPLDVXOTUNHJ-UHFFFAOYSA-N 0 0 435.278 3.177 50 5 IGBARN CCOC(=O)[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000008753528 569473758 /nfs/dbraw/zinc/47/37/58/569473758.db2.gz QNGXPLCYBQZZJC-QGZVFWFLSA-N 0 0 430.800 3.389 50 5 IGBARN CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000008878336 569481235 /nfs/dbraw/zinc/48/12/35/569481235.db2.gz ROJTYGZQYUVOCP-JOCHJYFZSA-N 0 0 441.484 3.390 50 5 IGBARN CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000008878331 569481245 /nfs/dbraw/zinc/48/12/45/569481245.db2.gz ROJTYGZQYUVOCP-QFIPXVFZSA-N 0 0 441.484 3.390 50 5 IGBARN C[C@H]1CCCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 ZINC000245245428 569501179 /nfs/dbraw/zinc/50/11/79/569501179.db2.gz KVTSYGFNPCSKHY-SCTDSRPQSA-N 0 0 436.512 3.252 50 5 IGBARN COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)OC(C)C)c4nc5ccccc5nc4n3c2c1 ZINC000009111505 569502357 /nfs/dbraw/zinc/50/23/57/569502357.db2.gz SXSGDZYVCXBFEG-UHFFFAOYSA-N 0 0 430.420 3.229 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccc2c(c1)OCCO2 ZINC000009218337 569512379 /nfs/dbraw/zinc/51/23/79/569512379.db2.gz ANESMKNEYICIEZ-UHFFFAOYSA-N 0 0 447.513 3.195 50 5 IGBARN CCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000009284795 569519105 /nfs/dbraw/zinc/51/91/05/569519105.db2.gz ZHWRRDDHNNSKRS-UHFFFAOYSA-N 0 0 428.474 3.398 50 5 IGBARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009540031 569545743 /nfs/dbraw/zinc/54/57/43/569545743.db2.gz JTTRHRQAJJAQJY-IBGZPJMESA-N 0 0 426.429 3.269 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])o1)CN(C(=O)OCC)CC2 ZINC000009639210 569555155 /nfs/dbraw/zinc/55/51/55/569555155.db2.gz HGATXCXAXYJVPH-UHFFFAOYSA-N 0 0 437.430 3.193 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 ZINC000009668593 569557963 /nfs/dbraw/zinc/55/79/63/569557963.db2.gz GBPDYHBSLZNMMF-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1 ZINC000004120500 132270005 /nfs/dbraw/zinc/27/00/05/132270005.db2.gz DNFDUUYRZVCTCI-UHFFFAOYSA-N 0 0 426.473 3.304 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000008680021 132290139 /nfs/dbraw/zinc/29/01/39/132290139.db2.gz YMSNIBJXKLLBMD-UHFFFAOYSA-N 0 0 426.473 3.160 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000009562546 132321719 /nfs/dbraw/zinc/32/17/19/132321719.db2.gz QVMOFMMLLBBXHP-UHFFFAOYSA-N 0 0 445.541 3.075 50 5 IGBARN CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O ZINC000009581138 132322256 /nfs/dbraw/zinc/32/22/56/132322256.db2.gz KCDHUFGJZNDAAC-XXBNENTESA-N 0 0 436.468 3.193 50 5 IGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010532346 132336023 /nfs/dbraw/zinc/33/60/23/132336023.db2.gz LSXRWOPQBMTSRE-UHFFFAOYSA-N 0 0 425.363 3.468 50 5 IGBARN CCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 ZINC000010978276 132336951 /nfs/dbraw/zinc/33/69/51/132336951.db2.gz MBAGCIAINBITGC-INIZCTEOSA-N 0 0 440.500 3.153 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000012371143 525465724 /nfs/dbraw/zinc/46/57/24/525465724.db2.gz UUSAEQIJPLVPDS-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN Cc1c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000012643193 525835888 /nfs/dbraw/zinc/83/58/88/525835888.db2.gz YQPSHYQNIBWNCJ-NRFANRHFSA-N 0 0 438.484 3.122 50 5 IGBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012524572 526581931 /nfs/dbraw/zinc/58/19/31/526581931.db2.gz RIYGULFQJBIZLO-HXUWFJFHSA-N 0 0 444.557 3.450 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1OCC(F)(F)F ZINC000012522674 526782249 /nfs/dbraw/zinc/78/22/49/526782249.db2.gz NCZJLRHKMNTAJQ-UHFFFAOYSA-N 0 0 438.406 3.297 50 5 IGBARN O=C(c1cnn(-c2ccccc2)n1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000012774950 526888678 /nfs/dbraw/zinc/88/86/78/526888678.db2.gz KLKLOWXSXJVUOR-UHFFFAOYSA-N 0 0 431.412 3.030 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccncc21 ZINC000012557626 527362559 /nfs/dbraw/zinc/36/25/59/527362559.db2.gz ZNUDDIZPHHJGPR-UHFFFAOYSA-N 0 0 438.918 3.369 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000012933392 527372847 /nfs/dbraw/zinc/37/28/47/527372847.db2.gz IRSUQHFWWJGYOT-UHFFFAOYSA-N 0 0 427.364 3.376 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000022907200 527375882 /nfs/dbraw/zinc/37/58/82/527375882.db2.gz UZLYQAIWRXXCJX-FQEVSTJZSA-N 0 0 427.482 3.266 50 5 IGBARN COCCCn1c(=O)c2ccc3c4nc5cc(Cl)ccc5n4c(=O)c4ccc(c1=O)c2c34 ZINC000008432974 556172397 /nfs/dbraw/zinc/17/23/97/556172397.db2.gz GPMPHSWMRHTAJI-UHFFFAOYSA-N 0 0 445.862 3.395 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000032754358 556323475 /nfs/dbraw/zinc/32/34/75/556323475.db2.gz LQTUUUAFINQOAM-GFCCVEGCSA-N 0 0 426.495 3.446 50 5 IGBARN COc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000012991707 556428735 /nfs/dbraw/zinc/42/87/35/556428735.db2.gz MHECWPLRXHJHGN-FQEVSTJZSA-N 0 0 436.486 3.440 50 5 IGBARN COc1cccc(N2CC(=O)N=C2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000032895058 556514692 /nfs/dbraw/zinc/51/46/92/556514692.db2.gz NUWKWNDIXXCHNR-UHFFFAOYSA-N 0 0 434.861 3.331 50 5 IGBARN CSc1n[nH]c(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)n1 ZINC000040398898 556640847 /nfs/dbraw/zinc/64/08/47/556640847.db2.gz ZBROIKCPGPFNFI-UHFFFAOYSA-N 0 0 430.493 3.147 50 5 IGBARN Cc1nn(CCNC(=O)c2ccn(COc3ccc(C(C)(C)C)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000013960300 557008799 /nfs/dbraw/zinc/00/87/99/557008799.db2.gz ULBRCKFCVXLEME-UHFFFAOYSA-N 0 0 440.504 3.369 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(Br)c1 ZINC000032945551 557030090 /nfs/dbraw/zinc/03/00/90/557030090.db2.gz OHQBVHJDNYMOHK-UHFFFAOYSA-N 0 0 449.257 3.234 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000048236686 557047245 /nfs/dbraw/zinc/04/72/45/557047245.db2.gz WZWDNFKBNQAZEW-CQSZACIVSA-N 0 0 444.513 3.437 50 5 IGBARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000034636684 557119311 /nfs/dbraw/zinc/11/93/11/557119311.db2.gz RQNAOIQEGPVYTC-UHFFFAOYSA-N 0 0 436.424 3.169 50 5 IGBARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000000676457 557133145 /nfs/dbraw/zinc/13/31/45/557133145.db2.gz OITQDPIKZAREIW-UHFFFAOYSA-N 0 0 443.485 3.350 50 5 IGBARN CSc1ccc(CN(C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 ZINC000017972333 557135747 /nfs/dbraw/zinc/13/57/47/557135747.db2.gz LLAXVTUXLAWBHJ-UHFFFAOYSA-N 0 0 442.541 3.257 50 5 IGBARN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000011381688 557137097 /nfs/dbraw/zinc/13/70/97/557137097.db2.gz NKWZEKRDUOUQQK-UHFFFAOYSA-N 0 0 432.502 3.500 50 5 IGBARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(N3CCCCCC3)c([N+](=O)[O-])c1)C2=O ZINC000018023517 557228794 /nfs/dbraw/zinc/22/87/94/557228794.db2.gz UDSONXAPYBECGT-UHFFFAOYSA-N 0 0 443.504 3.121 50 5 IGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014685817 557372583 /nfs/dbraw/zinc/37/25/83/557372583.db2.gz CMCWYNPLKGEPRY-UHFFFAOYSA-N 0 0 444.296 3.048 50 5 IGBARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024562948 557446922 /nfs/dbraw/zinc/44/69/22/557446922.db2.gz XYVYEJWZMVOVMX-LJQANCHMSA-N 0 0 443.467 3.228 50 5 IGBARN COc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000000854467 557830171 /nfs/dbraw/zinc/83/01/71/557830171.db2.gz RBZPIVPTUASPQH-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000002735588 562930093 /nfs/dbraw/zinc/93/00/93/562930093.db2.gz GLSIEWLSEFVNLA-UHFFFAOYSA-N 0 0 444.320 3.138 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000008692971 562963697 /nfs/dbraw/zinc/96/36/97/562963697.db2.gz RSJXAVYTSIBCGY-UHFFFAOYSA-N 0 0 441.893 3.296 50 5 IGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013138453 562985173 /nfs/dbraw/zinc/98/51/73/562985173.db2.gz ARVFOBBBEXIKTR-HNNXBMFYSA-N 0 0 426.853 3.217 50 5 IGBARN COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000015936973 563019072 /nfs/dbraw/zinc/01/90/72/563019072.db2.gz FQSKDEJMMSYDJI-UHFFFAOYSA-N 0 0 444.469 3.222 50 5 IGBARN CC1(C)Cc2cccc(OCC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2O1 ZINC000028614729 563059756 /nfs/dbraw/zinc/05/97/56/563059756.db2.gz UZRWRELPOFKTJY-UHFFFAOYSA-N 0 0 425.397 3.481 50 5 IGBARN COc1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000015035002 568633371 /nfs/dbraw/zinc/63/33/71/568633371.db2.gz XWIYVIGJZMJUFF-UHFFFAOYSA-N 0 0 425.441 3.483 50 5 IGBARN O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(-c3ccc(Br)cc3)nn12 ZINC000001130615 568661441 /nfs/dbraw/zinc/66/14/41/568661441.db2.gz VTXHWSDATZPUJZ-ZROIWOOFSA-N 0 0 429.255 3.036 50 5 IGBARN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 ZINC000031653193 568741325 /nfs/dbraw/zinc/74/13/25/568741325.db2.gz YWBLAOLXSMQAIG-UHFFFAOYSA-N 0 0 447.421 3.437 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000016226963 568873453 /nfs/dbraw/zinc/87/34/53/568873453.db2.gz KFVBYEPPZFAHQP-UHFFFAOYSA-N 0 0 448.284 3.315 50 5 IGBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@@H]12 ZINC000169677183 568989448 /nfs/dbraw/zinc/98/94/48/568989448.db2.gz OSULNYAXXILEGV-UTKZUKDTSA-N 0 0 426.904 3.394 50 5 IGBARN O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681748 568992577 /nfs/dbraw/zinc/99/25/77/568992577.db2.gz BOYGYZQPTTYSTJ-VWNXMTODSA-N 0 0 443.507 3.174 50 5 IGBARN CCOC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170597419 569142168 /nfs/dbraw/zinc/14/21/68/569142168.db2.gz TWRMQYHAIXCVHO-NRFANRHFSA-N 0 0 436.468 3.491 50 5 IGBARN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000089774623 569162670 /nfs/dbraw/zinc/16/26/70/569162670.db2.gz CBNMXCAVXCOHLH-OAQYLSRUSA-N 0 0 426.860 3.254 50 5 IGBARN COc1ccc(Cl)cc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000016959599 569167749 /nfs/dbraw/zinc/16/77/49/569167749.db2.gz NVUBNWZGICGINN-UHFFFAOYSA-N 0 0 429.816 3.300 50 5 IGBARN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] ZINC000089942256 569168359 /nfs/dbraw/zinc/16/83/59/569168359.db2.gz VFDXDFRQADDSHX-GFCCVEGCSA-N 0 0 426.466 3.203 50 5 IGBARN CCn1cc(-c2ccnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c(C)n1 ZINC000017095807 569172479 /nfs/dbraw/zinc/17/24/79/569172479.db2.gz VNGZTBRQXMUYJA-UHFFFAOYSA-N 0 0 428.474 3.316 50 5 IGBARN CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=S)N(C3CC3)C2=O)[C@H]1c1ccccc1 ZINC000017112697 569174036 /nfs/dbraw/zinc/17/40/36/569174036.db2.gz UONGBQDGZLDGOL-GCJKJVERSA-N 0 0 436.493 3.132 50 5 IGBARN O=C(CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253429062 569267666 /nfs/dbraw/zinc/26/76/66/569267666.db2.gz MGXNBJCFFSQUSS-MRXNPFEDSA-N 0 0 445.907 3.335 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCOc1ccccc1Cl ZINC000013135076 569311343 /nfs/dbraw/zinc/31/13/43/569311343.db2.gz KWPFTVCJWVIPNR-UHFFFAOYSA-N 0 0 426.878 3.491 50 5 IGBARN Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013146355 569311959 /nfs/dbraw/zinc/31/19/59/569311959.db2.gz MJABZDUINRZKBY-UHFFFAOYSA-N 0 0 445.541 3.104 50 5 IGBARN COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013402718 569315424 /nfs/dbraw/zinc/31/54/24/569315424.db2.gz CAXWQKZXNVXIBY-UHFFFAOYSA-N 0 0 447.513 3.120 50 5 IGBARN COC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(Cl)c1 ZINC000328593635 569317466 /nfs/dbraw/zinc/31/74/66/569317466.db2.gz RFPOLWITMKDGCK-IBGZPJMESA-N 0 0 435.864 3.398 50 5 IGBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000019633112 569324076 /nfs/dbraw/zinc/32/40/76/569324076.db2.gz JCKSRHNGBVUESY-UHFFFAOYSA-N 0 0 441.227 3.360 50 5 IGBARN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2cc(OC)c(OC)cc2c1=O ZINC000020116463 569335151 /nfs/dbraw/zinc/33/51/51/569335151.db2.gz WHUOBBYLHOADRI-UHFFFAOYSA-N 0 0 427.413 3.208 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2noc(C)n2)c([N+](=O)[O-])c1 ZINC000095467599 569371079 /nfs/dbraw/zinc/37/10/79/569371079.db2.gz DLYXUDQVXMSOCQ-UHFFFAOYSA-N 0 0 431.474 3.138 50 5 IGBARN Cc1nc2sc3c(c2c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)n1)CCC3 ZINC000002725914 569418551 /nfs/dbraw/zinc/41/85/51/569418551.db2.gz PUYXBBQKFSLBNV-UHFFFAOYSA-N 0 0 428.495 3.445 50 5 IGBARN NC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc([N+](=O)[O-])cn3)o1)CCCCC2 ZINC000002781115 569421032 /nfs/dbraw/zinc/42/10/32/569421032.db2.gz WIFRSANTJVZZOB-UHFFFAOYSA-N 0 0 429.458 3.114 50 5 IGBARN Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(CCn2cc([N+](=O)[O-])cn2)o1 ZINC000002803788 569422267 /nfs/dbraw/zinc/42/22/67/569422267.db2.gz QFGLKNVNWZLLPP-MRVPVSSYSA-N 0 0 446.212 3.231 50 5 IGBARN COc1ccc(Oc2cc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc([N+](=O)[O-])c2)cc1 ZINC000002808106 569422353 /nfs/dbraw/zinc/42/23/53/569422353.db2.gz IDPYTTUKKPRKFS-AWEZNQCLSA-N 0 0 449.485 3.006 50 5 IGBARN CCCCc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 ZINC000002872316 569423755 /nfs/dbraw/zinc/42/37/55/569423755.db2.gz YUIDUXULHOSUMI-UHFFFAOYSA-N 0 0 435.502 3.351 50 5 IGBARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000029303947 569429552 /nfs/dbraw/zinc/42/95/52/569429552.db2.gz KBYLVZABKJUCEC-INIZCTEOSA-N 0 0 430.486 3.139 50 5 IGBARN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2 ZINC000227114469 569431642 /nfs/dbraw/zinc/43/16/42/569431642.db2.gz UZYQQRHVDXDQNW-SQWLQELKSA-N 0 0 439.474 3.140 50 5 IGBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1C)CS(=O)(=O)C2 ZINC000003008484 569435088 /nfs/dbraw/zinc/43/50/88/569435088.db2.gz KFFTYAHVAPPVLW-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1cc(F)cc(F)c1 ZINC000057574420 569439911 /nfs/dbraw/zinc/43/99/11/569439911.db2.gz WUYHAPYDFUIIGD-UHFFFAOYSA-N 0 0 427.411 3.182 50 5 IGBARN COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000003197004 569441552 /nfs/dbraw/zinc/44/15/52/569441552.db2.gz VYPRAMHGIJMVNP-UHFFFAOYSA-N 0 0 430.372 3.413 50 5 IGBARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003223021 569442025 /nfs/dbraw/zinc/44/20/25/569442025.db2.gz OUHCHGXHBHLEPM-QGZVFWFLSA-N 0 0 442.399 3.171 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003269222 569443475 /nfs/dbraw/zinc/44/34/75/569443475.db2.gz FNDKSXFBNYMQEP-UGSOOPFHSA-N 0 0 431.420 3.059 50 5 IGBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000057986756 569443954 /nfs/dbraw/zinc/44/39/54/569443954.db2.gz MLYFBUMOMIOKRW-FQEVSTJZSA-N 0 0 425.416 3.378 50 5 IGBARN CN(CC(=O)Nc1ccc(O)cc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000058166144 569449458 /nfs/dbraw/zinc/44/94/58/569449458.db2.gz GLSDSXMTLMSXBQ-UHFFFAOYSA-N 0 0 440.378 3.218 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2CCc3c(cccc3NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000059420645 569461276 /nfs/dbraw/zinc/46/12/76/569461276.db2.gz UHASSAIAHHEBRM-UHFFFAOYSA-N 0 0 446.529 3.146 50 5 IGBARN Cn1c(=O)c2c(n(C)c1=O)OC(c1ccccc1)=C[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000008767162 569474856 /nfs/dbraw/zinc/47/48/56/569474856.db2.gz ZKCBHTLQQHQWCQ-OAHLLOKOSA-N 0 0 425.828 3.211 50 5 IGBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000008854824 569479699 /nfs/dbraw/zinc/47/96/99/569479699.db2.gz OYXBIPVIGMLNOH-BARSGRSVSA-N 0 0 440.484 3.274 50 5 IGBARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3[N+](=O)[O-])C2=O)cc1 ZINC000008946738 569489118 /nfs/dbraw/zinc/48/91/18/569489118.db2.gz HIHNEPCCZKRNAM-QFIPXVFZSA-N 0 0 442.447 3.437 50 5 IGBARN CCOC(=O)[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000008997719 569495941 /nfs/dbraw/zinc/49/59/41/569495941.db2.gz QNGXPLCYBQZZJC-KRWDZBQOSA-N 0 0 430.800 3.389 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000245343672 569504516 /nfs/dbraw/zinc/50/45/16/569504516.db2.gz VUWJJSGLFGMJAT-BMGDILEWSA-N 0 0 443.500 3.300 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cccc2ccccc21 ZINC000009126130 569504797 /nfs/dbraw/zinc/50/47/97/569504797.db2.gz OTTOTYVLANBESR-UHFFFAOYSA-N 0 0 428.466 3.348 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000009226295 569513227 /nfs/dbraw/zinc/51/32/27/569513227.db2.gz WYJSADBLCCUTBP-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009328531 569522887 /nfs/dbraw/zinc/52/28/87/569522887.db2.gz IPESCDKHOHDSIF-NFBKMPQASA-N 0 0 432.480 3.417 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1C ZINC000009464049 569537596 /nfs/dbraw/zinc/53/75/96/569537596.db2.gz LBKQRFWZXQZYRQ-UHFFFAOYSA-N 0 0 437.905 3.012 50 5 IGBARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009540030 569545747 /nfs/dbraw/zinc/54/57/47/569545747.db2.gz JTTRHRQAJJAQJY-LJQANCHMSA-N 0 0 426.429 3.269 50 5 IGBARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000009631140 569553717 /nfs/dbraw/zinc/55/37/17/569553717.db2.gz GKTBCUIYLJTCLC-KRWDZBQOSA-N 0 0 439.468 3.309 50 5 IGBARN Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000009689806 569560884 /nfs/dbraw/zinc/56/08/84/569560884.db2.gz TVHFBSNWGLRDKT-UHFFFAOYSA-N 0 0 444.922 3.053 50 5 IGBARN C[C@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000009703550 569561363 /nfs/dbraw/zinc/56/13/63/569561363.db2.gz ZSSFZTDTZOOHSR-JHMRYYBSSA-N 0 0 435.546 3.131 50 5 IGBARN COc1ccccc1CNC(=O)COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000009716120 569563174 /nfs/dbraw/zinc/56/31/74/569563174.db2.gz WXNARGWOOCRIPG-UHFFFAOYSA-N 0 0 441.484 3.457 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(F)c(Cl)c1 ZINC000009963934 132242826 /nfs/dbraw/zinc/24/28/26/132242826.db2.gz XYOQLJCQRAQUIJ-UHFFFAOYSA-N 0 0 437.811 3.019 50 5 IGBARN CC1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)nn2)CC1 ZINC000010213347 132243592 /nfs/dbraw/zinc/24/35/92/132243592.db2.gz PPFXPDNIUHSWPP-UHFFFAOYSA-N 0 0 444.923 3.237 50 5 IGBARN O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 ZINC000008815728 132294861 /nfs/dbraw/zinc/29/48/61/132294861.db2.gz IOHXRJQDOPFGBZ-UHFFFAOYSA-N 0 0 428.392 3.044 50 5 IGBARN Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 ZINC000009805879 132329252 /nfs/dbraw/zinc/32/92/52/132329252.db2.gz LHAIPURVIUHNKN-UHFFFAOYSA-N 0 0 434.290 3.393 50 5 IGBARN CN1CCN(S(=O)(=O)c2ccc(N[C@@H](c3ccccc3)C3CC3)c([N+](=O)[O-])c2)CC1 ZINC000035292566 523914354 /nfs/dbraw/zinc/91/43/54/523914354.db2.gz YQENXQMZUSDLLO-NRFANRHFSA-N 0 0 430.530 3.094 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808619 524026231 /nfs/dbraw/zinc/02/62/31/524026231.db2.gz DOFNEERPAASDCH-MEKIYTOJSA-N 0 0 428.448 3.366 50 5 IGBARN C[C@@H]1CCC[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012751741 524274183 /nfs/dbraw/zinc/27/41/83/524274183.db2.gz YKUJIVRURUHOEV-ZIAGYGMSSA-N 0 0 443.953 3.438 50 5 IGBARN Cc1ccc(CNC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000008397334 524540665 /nfs/dbraw/zinc/54/06/65/524540665.db2.gz LOWFALSFHFMHSZ-JOCHJYFZSA-N 0 0 443.459 3.427 50 5 IGBARN Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C ZINC000022097551 524566917 /nfs/dbraw/zinc/56/69/17/524566917.db2.gz QMOLTNOLKRYBDJ-HZPDHXFCSA-N 0 0 425.441 3.135 50 5 IGBARN Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020848665 524923731 /nfs/dbraw/zinc/92/37/31/524923731.db2.gz PSPFFYYWYGHNQE-ZWKOTPCHSA-N 0 0 435.889 3.164 50 5 IGBARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC000012750086 526123790 /nfs/dbraw/zinc/12/37/90/526123790.db2.gz OUFINAAEAVLUAK-UHFFFAOYSA-N 0 0 442.859 3.254 50 5 IGBARN O=C1C[C@]2(CON=C2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 ZINC000001313377 527035747 /nfs/dbraw/zinc/03/57/47/527035747.db2.gz NEYQMIFWTGXDQM-GOSISDBHSA-N 0 0 430.214 3.042 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCn1cnc2ccccc21 ZINC000017282814 527338558 /nfs/dbraw/zinc/33/85/58/527338558.db2.gz KYYDEBUUERMFSL-UHFFFAOYSA-N 0 0 429.502 3.231 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012514759 527339886 /nfs/dbraw/zinc/33/98/86/527339886.db2.gz NKXFEQFJUUVFOL-STQMWFEESA-N 0 0 437.440 3.149 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000022906639 527375278 /nfs/dbraw/zinc/37/52/78/527375278.db2.gz RXZFBHDIVOKWTI-JOCHJYFZSA-N 0 0 438.509 3.068 50 5 IGBARN O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)Nc1nccs1 ZINC000013811415 556312548 /nfs/dbraw/zinc/31/25/48/556312548.db2.gz QJVTWIFZYIDFHM-UHFFFAOYSA-N 0 0 442.555 3.053 50 5 IGBARN CC[C@@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000072302500 556546864 /nfs/dbraw/zinc/54/68/64/556546864.db2.gz XVTJPESLWJXOKV-DNVCBOLYSA-N 0 0 443.472 3.484 50 5 IGBARN O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000072308066 556563756 /nfs/dbraw/zinc/56/37/56/556563756.db2.gz JPUYJYLKFHLEPJ-UHFFFAOYSA-N 0 0 435.843 3.176 50 5 IGBARN O=C(NC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000072309258 556569428 /nfs/dbraw/zinc/56/94/28/556569428.db2.gz QNDPTOZELPSWQM-HXUWFJFHSA-N 0 0 433.468 3.205 50 5 IGBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000072309254 556570476 /nfs/dbraw/zinc/57/04/76/556570476.db2.gz WLSYCLZTCSPVPH-UHFFFAOYSA-N 0 0 447.249 3.428 50 5 IGBARN O=C(NC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000072309257 556570522 /nfs/dbraw/zinc/57/05/22/556570522.db2.gz QNDPTOZELPSWQM-FQEVSTJZSA-N 0 0 433.468 3.205 50 5 IGBARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000032967202 556587684 /nfs/dbraw/zinc/58/76/84/556587684.db2.gz ZFUORKSNVCRVHV-SFHVURJKSA-N 0 0 428.441 3.223 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000013524433 556677914 /nfs/dbraw/zinc/67/79/14/556677914.db2.gz KCOCKEKWWPKCBR-GOSISDBHSA-N 0 0 428.470 3.044 50 5 IGBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCC(=O)N1CCCC1=O ZINC000010734709 557022075 /nfs/dbraw/zinc/02/20/75/557022075.db2.gz GAJKRSMAHWFTDI-UHFFFAOYSA-N 0 0 426.454 3.183 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000010765951 557025267 /nfs/dbraw/zinc/02/52/67/557025267.db2.gz ZSBPCQYBVGDXDU-UHFFFAOYSA-N 0 0 443.934 3.414 50 5 IGBARN COc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O ZINC000000726915 557151518 /nfs/dbraw/zinc/15/15/18/557151518.db2.gz FHAHIDOFBUVKCK-VIZOYTHASA-N 0 0 426.381 3.190 50 5 IGBARN Cc1nc(CN2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cs1 ZINC000024766130 557165231 /nfs/dbraw/zinc/16/52/31/557165231.db2.gz DFQLHLRYEUHXSR-UHFFFAOYSA-N 0 0 432.549 3.264 50 5 IGBARN CCOC(=O)[C@]1(C)C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000100080677 557233866 /nfs/dbraw/zinc/23/38/66/557233866.db2.gz NDEOZGRJFCLALO-FQEVSTJZSA-N 0 0 426.385 3.167 50 5 IGBARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174359 557245563 /nfs/dbraw/zinc/24/55/63/557245563.db2.gz SAQBRLQSBSMIFM-QGZVFWFLSA-N 0 0 429.429 3.306 50 5 IGBARN CC(C)Cn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)c1=O ZINC000101841494 557298247 /nfs/dbraw/zinc/29/82/47/557298247.db2.gz IFOOBYGLSTYTII-UHFFFAOYSA-N 0 0 437.431 3.101 50 5 IGBARN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014234951 557326456 /nfs/dbraw/zinc/32/64/56/557326456.db2.gz YUEDMAKQYKIVDK-JTQLQIEISA-N 0 0 434.503 3.132 50 5 IGBARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023382224 557352183 /nfs/dbraw/zinc/35/21/83/557352183.db2.gz PTPWDUHSXCPFEJ-AUUYWEPGSA-N 0 0 435.440 3.040 50 5 IGBARN O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000023411683 557352909 /nfs/dbraw/zinc/35/29/09/557352909.db2.gz APVFFQONCZVKSM-HXUWFJFHSA-N 0 0 442.435 3.456 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000102755726 557379536 /nfs/dbraw/zinc/37/95/36/557379536.db2.gz JRUIPQJNOSVULG-PWRODBHTSA-N 0 0 430.420 3.037 50 5 IGBARN COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@]32CSC(=O)N2)cc1OC ZINC000105976162 557512522 /nfs/dbraw/zinc/51/25/22/557512522.db2.gz WFDBUFCDVRPJEF-QRWLVFNGSA-N 0 0 442.453 3.266 50 5 IGBARN COc1ccc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c(OC)c1 ZINC000109046980 557545574 /nfs/dbraw/zinc/54/55/74/557545574.db2.gz NKQSYAQTRNSYMG-DUXKGJEZSA-N 0 0 428.441 3.122 50 5 IGBARN Cc1ccc(S(=O)(=O)c2cc3c(nc4ccccn4c3=O)n(C3CCCC3)c2=N)cc1 ZINC000002207303 562926322 /nfs/dbraw/zinc/92/63/22/562926322.db2.gz WVGRKZNATRBPQH-UHFFFAOYSA-N 0 0 434.521 3.385 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCCC1=O ZINC000002881006 562930342 /nfs/dbraw/zinc/93/03/42/562930342.db2.gz WIAWLJGXTSLJGH-UHFFFAOYSA-N 0 0 446.257 3.454 50 5 IGBARN CCOC(=O)C[C@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000003623176 562936810 /nfs/dbraw/zinc/93/68/10/562936810.db2.gz PKOQIOVAKQYPJR-KRWDZBQOSA-N 0 0 440.408 3.134 50 5 IGBARN O=C(c1ccc(-n2ccnc2)nc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025343851 568654296 /nfs/dbraw/zinc/65/42/96/568654296.db2.gz BLZPXEBCTDMQHP-UHFFFAOYSA-N 0 0 446.389 3.157 50 5 IGBARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000001171219 568732391 /nfs/dbraw/zinc/73/23/91/568732391.db2.gz MQTOUGPJKRLEGM-CALCHBBNSA-N 0 0 448.431 3.399 50 5 IGBARN O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000001195847 568736791 /nfs/dbraw/zinc/73/67/91/568736791.db2.gz ZZBSSADWMVVRIJ-ZKKFKWFVSA-N 0 0 426.428 3.138 50 5 IGBARN CNC(=O)c1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000263639843 568737388 /nfs/dbraw/zinc/73/73/88/568737388.db2.gz LPUQWWWGFOICOX-UHFFFAOYSA-N 0 0 443.813 3.348 50 5 IGBARN CN1OC[C@@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000034738620 568737557 /nfs/dbraw/zinc/73/75/57/568737557.db2.gz XHOIVMYTQUIHTM-SJORKVTESA-N 0 0 445.419 3.020 50 5 IGBARN CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)cc1 ZINC000003623169 568751763 /nfs/dbraw/zinc/75/17/63/568751763.db2.gz VTRIRDIDYSZUHV-GOSISDBHSA-N 0 0 440.408 3.134 50 5 IGBARN CCOCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100628079 568838768 /nfs/dbraw/zinc/83/87/68/568838768.db2.gz XYUHKFWLAFOTBO-KRWDZBQOSA-N 0 0 445.523 3.046 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)nn1 ZINC000015880833 568854523 /nfs/dbraw/zinc/85/45/23/568854523.db2.gz HQFYYESPLDNABD-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000015955355 568859589 /nfs/dbraw/zinc/85/95/89/568859589.db2.gz IPESCDKHOHDSIF-OFNKIYASSA-N 0 0 432.480 3.417 50 5 IGBARN COc1cc(N2C(=O)[C@H]3[C@@H](C(C)=O)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000015996939 568861881 /nfs/dbraw/zinc/86/18/81/568861881.db2.gz DPMUTYNODWNDAB-CIAFKFPVSA-N 0 0 447.447 3.016 50 5 IGBARN CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-] ZINC000016361860 568878412 /nfs/dbraw/zinc/87/84/12/568878412.db2.gz TURWPYXWMGFTRW-QGZVFWFLSA-N 0 0 426.429 3.274 50 5 IGBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccnc1 ZINC000016429914 568900474 /nfs/dbraw/zinc/90/04/74/568900474.db2.gz JVIDMRPCQSNHBI-ZDUSSCGKSA-N 0 0 434.623 3.436 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3nc2C)c([N+](=O)[O-])c1 ZINC000036776289 569137772 /nfs/dbraw/zinc/13/77/72/569137772.db2.gz CZKQNIKLAHCSOM-UHFFFAOYSA-N 0 0 430.486 3.456 50 5 IGBARN CCOc1ccc(CCNC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000009882980 569149938 /nfs/dbraw/zinc/14/99/38/569149938.db2.gz UIQNSJMCRPAWOJ-UHFFFAOYSA-N 0 0 430.457 3.216 50 5 IGBARN Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000016992528 569169509 /nfs/dbraw/zinc/16/95/09/569169509.db2.gz WKXMKKYUGLKOKX-UHFFFAOYSA-N 0 0 428.470 3.259 50 5 IGBARN CC(C)CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O ZINC000002112718 569182074 /nfs/dbraw/zinc/18/20/74/569182074.db2.gz IPESCDKHOHDSIF-REWPJTCUSA-N 0 0 432.480 3.417 50 5 IGBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252499264 569188074 /nfs/dbraw/zinc/18/80/74/569188074.db2.gz RYAXRRXSRONQPR-UHFFFAOYSA-N 0 0 449.423 3.468 50 5 IGBARN O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000017989037 569283515 /nfs/dbraw/zinc/28/35/15/569283515.db2.gz NJITUHXOJOAPTQ-IRXDYDNUSA-N 0 0 434.404 3.090 50 5 IGBARN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000008994042 569292701 /nfs/dbraw/zinc/29/27/01/569292701.db2.gz MAWMABQCHHZCMU-UHFFFAOYSA-N 0 0 439.493 3.149 50 5 IGBARN O=C(c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1F)N1CCCC1 ZINC000225395896 569297180 /nfs/dbraw/zinc/29/71/80/569297180.db2.gz MAMBAQJVBXUTMB-UHFFFAOYSA-N 0 0 427.841 3.424 50 5 IGBARN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000009581337 569297314 /nfs/dbraw/zinc/29/73/14/569297314.db2.gz SBVGVAYAJMYSNC-UHFFFAOYSA-N 0 0 447.378 3.270 50 5 IGBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 ZINC000009958496 569298679 /nfs/dbraw/zinc/29/86/79/569298679.db2.gz SITRJDYKTUPKGZ-UHFFFAOYSA-N 0 0 437.412 3.041 50 5 IGBARN COCCNc1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000225438654 569300611 /nfs/dbraw/zinc/30/06/11/569300611.db2.gz RICVYSREOYJMIP-OAHLLOKOSA-N 0 0 443.378 3.015 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000013121468 569310873 /nfs/dbraw/zinc/31/08/73/569310873.db2.gz PQKMJOWCAJBDTF-UHFFFAOYSA-N 0 0 449.485 3.039 50 5 IGBARN O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019721007 569327755 /nfs/dbraw/zinc/32/77/55/569327755.db2.gz SICHCNGFJGTIOT-SFHVURJKSA-N 0 0 449.294 3.356 50 5 IGBARN CC(C)c1ccc(NC(=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1 ZINC000020108227 569334328 /nfs/dbraw/zinc/33/43/28/569334328.db2.gz ODKOWQPPKPLIKQ-OAQYLSRUSA-N 0 0 427.457 3.459 50 5 IGBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000095461548 569369802 /nfs/dbraw/zinc/36/98/02/569369802.db2.gz PSKLARKMRDIIJU-UHFFFAOYSA-N 0 0 429.498 3.399 50 5 IGBARN CC1CCC(NS(=O)(=O)c2ccc(NCc3nnc(C4CC4)n3C)c([N+](=O)[O-])c2)CC1 ZINC000095467592 569371038 /nfs/dbraw/zinc/37/10/38/569371038.db2.gz CGSDHTLTINSZDA-UHFFFAOYSA-N 0 0 448.549 3.070 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCO[C@H]1CCCCO1 ZINC000225534721 569403706 /nfs/dbraw/zinc/40/37/06/569403706.db2.gz PZJOMQSQYPLCSP-IBGZPJMESA-N 0 0 427.523 3.115 50 5 IGBARN O=C(NC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 ZINC000225669767 569406460 /nfs/dbraw/zinc/40/64/60/569406460.db2.gz AELZQYXEZOLZJZ-LBPRGKRZSA-N 0 0 448.775 3.244 50 5 IGBARN CCn1ncc(N2C(=S)N=NC2c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C ZINC000002802721 569422269 /nfs/dbraw/zinc/42/22/69/569422269.db2.gz LGFCTKJLGMVKAA-UHFFFAOYSA-N 0 0 428.478 3.111 50 5 IGBARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000002842338 569423223 /nfs/dbraw/zinc/42/32/23/569423223.db2.gz AVZQUBBEPAIPDQ-UHFFFAOYSA-N 0 0 441.469 3.298 50 5 IGBARN O=C(c1cccn2c(=O)c3cc4ccccc4cc3nc12)N1CCN(c2ccccn2)CC1 ZINC000002957455 569432505 /nfs/dbraw/zinc/43/25/05/569432505.db2.gz FVFJPLVXCUAJTN-UHFFFAOYSA-N 0 0 435.487 3.358 50 5 IGBARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c1C ZINC000003009523 569435123 /nfs/dbraw/zinc/43/51/23/569435123.db2.gz RZBFBFWDHQQQLO-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1cccc(Cl)c1 ZINC000003009116 569435250 /nfs/dbraw/zinc/43/52/50/569435250.db2.gz QKPTZKDYRWTQLW-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029891772 569438104 /nfs/dbraw/zinc/43/81/04/569438104.db2.gz QUKNKTLJIFUVFB-UHFFFAOYSA-N 0 0 437.477 3.276 50 5 IGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000003250188 569442861 /nfs/dbraw/zinc/44/28/61/569442861.db2.gz YBBGBZAXYNBYOX-UHFFFAOYSA-N 0 0 426.450 3.430 50 5 IGBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1 ZINC000003286021 569444071 /nfs/dbraw/zinc/44/40/71/569444071.db2.gz BQUPJHVINLVBLC-UHFFFAOYSA-N 0 0 443.403 3.283 50 5 IGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccc(I)c1 ZINC000003308952 569445367 /nfs/dbraw/zinc/44/53/67/569445367.db2.gz FAFNVAXCXWTVNL-UHFFFAOYSA-N 0 0 432.195 3.056 50 5 IGBARN O=C(Nc1ccccc1CN1CCSCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000058138851 569448463 /nfs/dbraw/zinc/44/84/63/569448463.db2.gz AHSQQTBQLUNCPG-UHFFFAOYSA-N 0 0 442.541 3.233 50 5 IGBARN COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])cc1OC ZINC000003449738 569451582 /nfs/dbraw/zinc/45/15/82/569451582.db2.gz YARLUQIQJUQISS-HNNXBMFYSA-N 0 0 446.456 3.249 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004157416 569460488 /nfs/dbraw/zinc/46/04/88/569460488.db2.gz XJACHFFQDNQMHZ-LPTDTENNSA-N 0 0 448.431 3.170 50 5 IGBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1ccc(I)cc1 ZINC000008662195 569469939 /nfs/dbraw/zinc/46/99/39/569469939.db2.gz XFWXTJKAOGUDLJ-NTEUORMPSA-N 0 0 435.177 3.456 50 5 IGBARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000008828342 569477839 /nfs/dbraw/zinc/47/78/39/569477839.db2.gz LZKKIFRJBZMUPV-JKSUJKDBSA-N 0 0 441.387 3.226 50 5 IGBARN COc1cc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000009011863 569496478 /nfs/dbraw/zinc/49/64/78/569496478.db2.gz WLOVUTJNSFLWTM-UHFFFAOYSA-N 0 0 428.401 3.242 50 5 IGBARN COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)n2)c1 ZINC000009095361 569501374 /nfs/dbraw/zinc/50/13/74/569501374.db2.gz PYBDTFGGRVRRBR-UHFFFAOYSA-N 0 0 444.469 3.222 50 5 IGBARN COc1cc(CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(OC)c1OC ZINC000009127451 569505147 /nfs/dbraw/zinc/50/51/47/569505147.db2.gz VPZGNOIFXAXRMU-UHFFFAOYSA-N 0 0 433.413 3.163 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 ZINC000009226298 569513213 /nfs/dbraw/zinc/51/32/13/569513213.db2.gz BYJPSXNWYCHQLT-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1csc(-c2ccccc2)n1 ZINC000009284653 569519135 /nfs/dbraw/zinc/51/91/35/569519135.db2.gz DFUJJPBHLUXTHF-UHFFFAOYSA-N 0 0 437.433 3.448 50 5 IGBARN COc1cc(-c2noc(CCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc(OC)c1OC ZINC000009331291 569523070 /nfs/dbraw/zinc/52/30/70/569523070.db2.gz DMOXNXWDWKWNOW-UHFFFAOYSA-N 0 0 428.401 3.242 50 5 IGBARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(=O)OC)C1 ZINC000009347538 569524236 /nfs/dbraw/zinc/52/42/36/569524236.db2.gz DFAPTGXKYZOJIS-UHFFFAOYSA-N 0 0 433.442 3.210 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000009465112 569537839 /nfs/dbraw/zinc/53/78/39/569537839.db2.gz FLDXEPDGQAGVLW-UHFFFAOYSA-N 0 0 430.398 3.113 50 5 IGBARN O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009544781 569546012 /nfs/dbraw/zinc/54/60/12/569546012.db2.gz DSIWWRJSVYOAIM-LJQANCHMSA-N 0 0 447.856 3.359 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cccc([N+](=O)[O-])c2C)c1 ZINC000009581182 569549151 /nfs/dbraw/zinc/54/91/51/569549151.db2.gz NPCMUKKBHHYKDY-UHFFFAOYSA-N 0 0 434.518 3.293 50 5 IGBARN CCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000009612696 569552917 /nfs/dbraw/zinc/55/29/17/569552917.db2.gz LCCOTIVSAKNSPH-GOSISDBHSA-N 0 0 425.506 3.185 50 5 IGBARN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000009667934 569557870 /nfs/dbraw/zinc/55/78/70/569557870.db2.gz RFOQQZCVQFPDTH-UHFFFAOYSA-N 0 0 447.513 3.485 50 5 IGBARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009982193 569576543 /nfs/dbraw/zinc/57/65/43/569576543.db2.gz PODNBVJCJLPGCB-HSZRJFAPSA-N 0 0 438.484 3.189 50 5 IGBARN O=C(CSc1nccn1-c1cccc(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000010349871 132246221 /nfs/dbraw/zinc/24/62/21/132246221.db2.gz BUNVEAQDKGRRIW-UHFFFAOYSA-N 0 0 441.488 3.361 50 5 IGBARN CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000006319846 132277195 /nfs/dbraw/zinc/27/71/95/132277195.db2.gz XNVCEBIXXCVVGA-UHFFFAOYSA-N 0 0 425.485 3.299 50 5 IGBARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000008385866 132281162 /nfs/dbraw/zinc/28/11/62/132281162.db2.gz QSPCHCFJYHUCNO-UHFFFAOYSA-N 0 0 430.892 3.047 50 5 IGBARN CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OCC ZINC000008846636 132295884 /nfs/dbraw/zinc/29/58/84/132295884.db2.gz YKEXKMBRCRRYAL-UHFFFAOYSA-N 0 0 443.500 3.201 50 5 IGBARN O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000008861463 132296616 /nfs/dbraw/zinc/29/66/16/132296616.db2.gz YDNLMHSNDKCWJT-GOSISDBHSA-N 0 0 448.401 3.068 50 5 IGBARN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 ZINC000009065525 132301785 /nfs/dbraw/zinc/30/17/85/132301785.db2.gz UBXCHRCQEZBZAJ-IBGZPJMESA-N 0 0 428.464 3.287 50 5 IGBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1c1ccccc1 ZINC000009433926 132317325 /nfs/dbraw/zinc/31/73/25/132317325.db2.gz BUMYVVCJEIASFD-WMZHIEFXSA-N 0 0 436.468 3.192 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011227688 132337600 /nfs/dbraw/zinc/33/76/00/132337600.db2.gz KBSXESWCKHAQHW-UHFFFAOYSA-N 0 0 449.393 3.215 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000012976411 132341138 /nfs/dbraw/zinc/34/11/38/132341138.db2.gz MFXCANRAAPCAHS-UHFFFAOYSA-N 0 0 443.525 3.283 50 5 IGBARN COc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCOCC2)C1=O ZINC000013153646 132345995 /nfs/dbraw/zinc/34/59/95/132345995.db2.gz AIXYDTGOLNGWOP-UHFFFAOYSA-N 0 0 433.420 3.394 50 5 IGBARN CCN(CC(=O)NCc1cccs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000022020528 520340531 /nfs/dbraw/zinc/34/05/31/520340531.db2.gz QLWJWYNPECIPNG-UHFFFAOYSA-N 0 0 433.533 3.381 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000012542606 520806231 /nfs/dbraw/zinc/80/62/31/520806231.db2.gz MTYNNCVLRAFUJZ-UHFFFAOYSA-N 0 0 448.501 3.158 50 5 IGBARN CCCCn1c(COc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000021976481 521363892 /nfs/dbraw/zinc/36/38/92/521363892.db2.gz PFDHPEGLPODXFW-UHFFFAOYSA-N 0 0 449.467 3.222 50 5 IGBARN CCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012734114 523198641 /nfs/dbraw/zinc/19/86/41/523198641.db2.gz UNEJMRORNRDTNG-UHFFFAOYSA-N 0 0 445.501 3.113 50 5 IGBARN COc1ccc(-n2ncc3c2ncnc3N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000008741383 523353755 /nfs/dbraw/zinc/35/37/55/523353755.db2.gz FFZSIFSCILMPTP-UHFFFAOYSA-N 0 0 431.456 3.059 50 5 IGBARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000012561682 524115716 /nfs/dbraw/zinc/11/57/16/524115716.db2.gz JJKDBXZCNOAHNB-UHFFFAOYSA-N 0 0 438.513 3.173 50 5 IGBARN COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC(C)C)[C@H]2C1 ZINC000035894530 524565243 /nfs/dbraw/zinc/56/52/43/524565243.db2.gz KMVKNOOGQWZODS-SIKLNZKXSA-N 0 0 438.528 3.243 50 5 IGBARN COc1ccc(Nc2nc(O)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000012786568 524675407 /nfs/dbraw/zinc/67/54/07/524675407.db2.gz DNEFEWZIZNSPAY-INIZCTEOSA-N 0 0 430.442 3.051 50 5 IGBARN Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000020848672 524925582 /nfs/dbraw/zinc/92/55/82/524925582.db2.gz PSPFFYYWYGHNQE-QZTJIDSGSA-N 0 0 435.889 3.164 50 5 IGBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C ZINC000012756670 525557254 /nfs/dbraw/zinc/55/72/54/525557254.db2.gz ODIVIHJFSGYOGX-UHFFFAOYSA-N 0 0 443.525 3.457 50 5 IGBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000013113376 525892195 /nfs/dbraw/zinc/89/21/95/525892195.db2.gz MFYVHSFECIXWTC-SFHVURJKSA-N 0 0 448.229 3.053 50 5 IGBARN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017988951 526045615 /nfs/dbraw/zinc/04/56/15/526045615.db2.gz FNWLZPCKWKIYAM-HDICACEKSA-N 0 0 449.463 3.319 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000022561020 526077901 /nfs/dbraw/zinc/07/79/01/526077901.db2.gz IIVHEGKYRWJOHH-UHFFFAOYSA-N 0 0 432.230 3.291 50 5 IGBARN O=C(c1cccs1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000016393254 526837131 /nfs/dbraw/zinc/83/71/31/526837131.db2.gz GNTUABVGAIQTHR-AWEZNQCLSA-N 0 0 434.493 3.349 50 5 IGBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000012237956 527106275 /nfs/dbraw/zinc/10/62/75/527106275.db2.gz XLGOKQZGODCCCH-HTXNQAPBSA-N 0 0 439.902 3.093 50 5 IGBARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012563566 527145899 /nfs/dbraw/zinc/14/58/99/527145899.db2.gz NIQDAUAHMNDJKO-SFHVURJKSA-N 0 0 446.916 3.400 50 5 IGBARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012553048 527146171 /nfs/dbraw/zinc/14/61/71/527146171.db2.gz JFWZHQKTLZIUNV-SFHVURJKSA-N 0 0 446.916 3.400 50 5 IGBARN Cc1nc2ccccc2nc1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000012784374 527173130 /nfs/dbraw/zinc/17/31/30/527173130.db2.gz BJLZNQYJVKDZAL-UHFFFAOYSA-N 0 0 428.470 3.210 50 5 IGBARN O=[N+]([O-])c1ccc(NCc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012556280 527366414 /nfs/dbraw/zinc/36/64/14/527366414.db2.gz QANKTAUGHIQSNJ-UHFFFAOYSA-N 0 0 445.419 3.247 50 5 IGBARN CCNc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1[N+](=O)[O-] ZINC000010530783 555569026 /nfs/dbraw/zinc/56/90/26/555569026.db2.gz RGNNTAZSJJYPCG-UHFFFAOYSA-N 0 0 447.245 3.154 50 5 IGBARN COc1cc(CCNC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000032788461 556350656 /nfs/dbraw/zinc/35/06/56/556350656.db2.gz SUMFDOLEKNAWNO-OAQYLSRUSA-N 0 0 443.500 3.034 50 5 IGBARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000015343594 556522204 /nfs/dbraw/zinc/52/22/04/556522204.db2.gz YCTXRXNBZFVCBM-JTQLQIEISA-N 0 0 433.269 3.312 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000013590695 556529146 /nfs/dbraw/zinc/52/91/46/556529146.db2.gz BEQLEQCMELEBAT-OALUTQOASA-N 0 0 434.404 3.090 50 5 IGBARN CC[C@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC000072302499 556547015 /nfs/dbraw/zinc/54/70/15/556547015.db2.gz XVTJPESLWJXOKV-HNAYVOBHSA-N 0 0 443.472 3.484 50 5 IGBARN COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 ZINC000032935991 556678464 /nfs/dbraw/zinc/67/84/64/556678464.db2.gz ZAIFNNKRWWETKG-UHFFFAOYSA-N 0 0 438.444 3.003 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000136047226 556683915 /nfs/dbraw/zinc/68/39/15/556683915.db2.gz JRUIPQJNOSVULG-PCCBWWKXSA-N 0 0 430.420 3.037 50 5 IGBARN CC(C)COC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013564588 556697392 /nfs/dbraw/zinc/69/73/92/556697392.db2.gz YAOJLVKSVMJFBW-UGTOYMOASA-N 0 0 449.500 3.033 50 5 IGBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000024337836 556739083 /nfs/dbraw/zinc/73/90/83/556739083.db2.gz JSHHCAPAUZLQIY-UHFFFAOYSA-N 0 0 432.908 3.151 50 5 IGBARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000008718323 556842917 /nfs/dbraw/zinc/84/29/17/556842917.db2.gz WQGSCOBOVJPNEV-HXUWFJFHSA-N 0 0 449.366 3.030 50 5 IGBARN O=c1c2c(nc3c4ccccc4c(NCCN4CCOCC4)nn13)sc1c2CCCCC1 ZINC000019902818 556942345 /nfs/dbraw/zinc/94/23/45/556942345.db2.gz WHNOVAJXLLZRQD-UHFFFAOYSA-N 0 0 449.580 3.470 50 5 IGBARN Cc1c(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000048250865 557051899 /nfs/dbraw/zinc/05/18/99/557051899.db2.gz SSAPZXXYZWACLL-AWEZNQCLSA-N 0 0 434.470 3.007 50 5 IGBARN COc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000048331891 557069360 /nfs/dbraw/zinc/06/93/60/557069360.db2.gz SVKDHQJKIWGUNF-UHFFFAOYSA-N 0 0 427.438 3.200 50 5 IGBARN CCOC(=O)[C@@]1(C)C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000100080680 557233926 /nfs/dbraw/zinc/23/39/26/557233926.db2.gz NDEOZGRJFCLALO-HXUWFJFHSA-N 0 0 426.385 3.167 50 5 IGBARN COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c([N+](=O)[O-])c1 ZINC000101141613 557262139 /nfs/dbraw/zinc/26/21/39/557262139.db2.gz GHMNABZJSXEAMZ-UHFFFAOYSA-N 0 0 438.308 3.374 50 5 IGBARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000103184991 557425872 /nfs/dbraw/zinc/42/58/72/557425872.db2.gz KTEJTGWQMBAHQP-GOSISDBHSA-N 0 0 430.486 3.211 50 5 IGBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@H]12 ZINC000104915195 557464713 /nfs/dbraw/zinc/46/47/13/557464713.db2.gz OSULNYAXXILEGV-DYESRHJHSA-N 0 0 426.904 3.394 50 5 IGBARN COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@]32CSC(=O)N2)cc1OC ZINC000105976158 557512477 /nfs/dbraw/zinc/51/24/77/557512477.db2.gz WFDBUFCDVRPJEF-YWZLYKJASA-N 0 0 442.453 3.266 50 5 IGBARN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000110327275 557513049 /nfs/dbraw/zinc/51/30/49/557513049.db2.gz WNOVVFABBDUNFQ-QGZVFWFLSA-N 0 0 433.411 3.426 50 5 IGBARN CSc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000025067145 557860669 /nfs/dbraw/zinc/86/06/69/557860669.db2.gz MEHQVKLQWNADRG-CYBMUJFWSA-N 0 0 442.497 3.153 50 5 IGBARN Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000002113124 562925884 /nfs/dbraw/zinc/92/58/84/562925884.db2.gz AGKVLSWEBIASFU-UHFFFAOYSA-N 0 0 444.320 3.138 50 5 IGBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000002601664 562928345 /nfs/dbraw/zinc/92/83/45/562928345.db2.gz WETNUDIWFHTWGA-SECBINFHSA-N 0 0 439.925 3.457 50 5 IGBARN COc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000008398249 562949264 /nfs/dbraw/zinc/94/92/64/562949264.db2.gz GKBBFLPRYVWIJG-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 ZINC000008989735 562966478 /nfs/dbraw/zinc/96/64/78/562966478.db2.gz GPNYCXPDHUAUSS-NSHDSACASA-N 0 0 434.246 3.358 50 5 IGBARN O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025570597 568736155 /nfs/dbraw/zinc/73/61/55/568736155.db2.gz WJBXNTLPSJEIDI-ZDUSSCGKSA-N 0 0 425.474 3.176 50 5 IGBARN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000001195845 568736776 /nfs/dbraw/zinc/73/67/76/568736776.db2.gz ZZBSSADWMVVRIJ-YCIYHOANSA-N 0 0 426.428 3.138 50 5 IGBARN O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000001233591 568758491 /nfs/dbraw/zinc/75/84/91/568758491.db2.gz LSUIZVOIPYZYHB-UHFFFAOYSA-N 0 0 429.344 3.194 50 5 IGBARN CCC(=O)NCc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)ccc1OC ZINC000084718685 568800174 /nfs/dbraw/zinc/80/01/74/568800174.db2.gz SPYZAZBUJOOBPN-UHFFFAOYSA-N 0 0 428.850 3.051 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000016042194 568868343 /nfs/dbraw/zinc/86/83/43/568868343.db2.gz MHXRDIPADVDYNS-OFNKIYASSA-N 0 0 432.480 3.417 50 5 IGBARN COC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001807638 568908938 /nfs/dbraw/zinc/90/89/38/568908938.db2.gz UGVTUAQTAZDHJM-UHFFFAOYSA-N 0 0 439.424 3.177 50 5 IGBARN O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc2c(c1)OCO2 ZINC000169620288 568969739 /nfs/dbraw/zinc/96/97/39/568969739.db2.gz USVIGHKDNMDKSO-HYVLGVRCSA-N 0 0 429.432 3.336 50 5 IGBARN Cn1nnnc1Sc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000009955643 569151310 /nfs/dbraw/zinc/15/13/10/569151310.db2.gz OEOXMSQWDHGBEC-UHFFFAOYSA-N 0 0 428.518 3.216 50 5 IGBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000013739168 569156913 /nfs/dbraw/zinc/15/69/13/569156913.db2.gz ZDPYMGISAFBJDY-GFCAVMEOSA-N 0 0 440.484 3.274 50 5 IGBARN CC1CCN(c2ccc(C(=O)NCCc3nnc4n3CCCCC4)cc2[N+](=O)[O-])CC1 ZINC000014370576 569158835 /nfs/dbraw/zinc/15/88/35/569158835.db2.gz GIQWNFOXFKCHRN-UHFFFAOYSA-N 0 0 426.521 3.122 50 5 IGBARN Cc1nn(-c2ccccc2)c(OC(=O)C2CC2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016976821 569168942 /nfs/dbraw/zinc/16/89/42/569168942.db2.gz LBEZYVIBZYTEFR-UHFFFAOYSA-N 0 0 427.438 3.237 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000241564163 569202400 /nfs/dbraw/zinc/20/24/00/569202400.db2.gz ORYKPICNNXAJIF-LPHOPBHVSA-N 0 0 437.493 3.077 50 5 IGBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000253424014 569267099 /nfs/dbraw/zinc/26/70/99/569267099.db2.gz WMCKLUOMLYOINX-CQSZACIVSA-N 0 0 447.492 3.057 50 5 IGBARN O=c1nc2nc(SCc3cccc([N+](=O)[O-])c3)[nH]cc-2c(=O)n1-c1cccc(Cl)c1 ZINC000009331926 569295733 /nfs/dbraw/zinc/29/57/33/569295733.db2.gz KUVALJNGUONWHJ-UHFFFAOYSA-N 0 0 441.856 3.323 50 5 IGBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000009720933 569297811 /nfs/dbraw/zinc/29/78/11/569297811.db2.gz XGJRHFPBLIZCBL-UHFFFAOYSA-N 0 0 434.699 3.401 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000010060542 569299266 /nfs/dbraw/zinc/29/92/66/569299266.db2.gz FGVNAQCMJDDDNQ-ZDUSSCGKSA-N 0 0 429.816 3.276 50 5 IGBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1=O ZINC000002428016 569302786 /nfs/dbraw/zinc/30/27/86/569302786.db2.gz NVNWPOKLCVOABA-UHFFFAOYSA-N 0 0 443.463 3.439 50 5 IGBARN CCOc1cc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c([N+](=O)[O-])cc1OC ZINC000019473837 569320146 /nfs/dbraw/zinc/32/01/46/569320146.db2.gz HLKZBEHMYKEYIK-UHFFFAOYSA-N 0 0 429.381 3.480 50 5 IGBARN COc1cc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc(OC)c1OC ZINC000019826581 569329911 /nfs/dbraw/zinc/32/99/11/569329911.db2.gz ZBJWYEHYTZGVTF-UHFFFAOYSA-N 0 0 427.442 3.237 50 5 IGBARN Cc1nccn1C[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000095407814 569364811 /nfs/dbraw/zinc/36/48/11/569364811.db2.gz DWJJRWOIQJNEAB-GOSISDBHSA-N 0 0 447.561 3.333 50 5 IGBARN O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000002640992 569413674 /nfs/dbraw/zinc/41/36/74/569413674.db2.gz XVOAGYWENMACEZ-UHFFFAOYSA-N 0 0 447.856 3.375 50 5 IGBARN COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002653101 569414725 /nfs/dbraw/zinc/41/47/25/569414725.db2.gz NQAGXCDHZIUAPH-UHFFFAOYSA-N 0 0 433.467 3.074 50 5 IGBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C)CCCC2 ZINC000002786231 569421250 /nfs/dbraw/zinc/42/12/50/569421250.db2.gz RYBNKQPZUXCNOM-UHFFFAOYSA-N 0 0 446.407 3.484 50 5 IGBARN Cc1nn(Cc2ccccc2C(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000002794765 569421691 /nfs/dbraw/zinc/42/16/91/569421691.db2.gz XVUASWFVSLVAIX-UHFFFAOYSA-N 0 0 427.486 3.486 50 5 IGBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CS(=O)(=O)C2 ZINC000003008482 569435085 /nfs/dbraw/zinc/43/50/85/569435085.db2.gz AVIKCLYNRYLEDW-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN O=C(N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003053436 569439350 /nfs/dbraw/zinc/43/93/50/569439350.db2.gz QROSLIPKLORQKS-AWEZNQCLSA-N 0 0 437.688 3.495 50 5 IGBARN CCOC(=O)N[C@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl ZINC000003130707 569440694 /nfs/dbraw/zinc/44/06/94/569440694.db2.gz ONZYDWBCUQTVLC-JTQLQIEISA-N 0 0 445.712 3.332 50 5 IGBARN O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270189 569443506 /nfs/dbraw/zinc/44/35/06/569443506.db2.gz RXINGFPCTIHCQI-UHFFFAOYSA-N 0 0 433.726 3.223 50 5 IGBARN O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000030609153 569444965 /nfs/dbraw/zinc/44/49/65/569444965.db2.gz UOXYPURCTITRBQ-OAHLLOKOSA-N 0 0 446.891 3.042 50 5 IGBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000058160519 569448860 /nfs/dbraw/zinc/44/88/60/569448860.db2.gz GLNXVOOSACAGRO-CYBMUJFWSA-N 0 0 433.852 3.306 50 5 IGBARN O=C(NC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000058162255 569449275 /nfs/dbraw/zinc/44/92/75/569449275.db2.gz GYCUIZQYRGTHBW-QGZVFWFLSA-N 0 0 428.405 3.225 50 5 IGBARN COc1ccc(CCN(C)C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000003419479 569450325 /nfs/dbraw/zinc/45/03/25/569450325.db2.gz DGJRIAUMCBUFGX-UHFFFAOYSA-N 0 0 436.848 3.123 50 5 IGBARN Cc1c2ccccc2oc1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000030957082 569451606 /nfs/dbraw/zinc/45/16/06/569451606.db2.gz MDIIDCFUUMTVAL-UHFFFAOYSA-N 0 0 443.481 3.105 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OC(=O)Oc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000058377670 569453783 /nfs/dbraw/zinc/45/37/83/569453783.db2.gz KUSCVIAZHLDORK-UHFFFAOYSA-N 0 0 435.414 3.344 50 5 IGBARN CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)cc1 ZINC000003623167 569455099 /nfs/dbraw/zinc/45/50/99/569455099.db2.gz VTRIRDIDYSZUHV-SFHVURJKSA-N 0 0 440.408 3.134 50 5 IGBARN O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000008828035 569477697 /nfs/dbraw/zinc/47/76/97/569477697.db2.gz OSOBTAOJDNLXNR-CVEARBPZSA-N 0 0 441.387 3.226 50 5 IGBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008877120 569481216 /nfs/dbraw/zinc/48/12/16/569481216.db2.gz VJHJIWDANJGVFG-SJORKVTESA-N 0 0 442.471 3.133 50 5 IGBARN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C ZINC000008885286 569483223 /nfs/dbraw/zinc/48/32/23/569483223.db2.gz LQHHLRBPNKPDOY-FQEVSTJZSA-N 0 0 430.848 3.271 50 5 IGBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000009284879 569519142 /nfs/dbraw/zinc/51/91/42/569519142.db2.gz DVBXPMKJYAEZNW-GOSISDBHSA-N 0 0 439.497 3.230 50 5 IGBARN Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1[N+](=O)[O-] ZINC000009368159 569526611 /nfs/dbraw/zinc/52/66/11/569526611.db2.gz XURPCTVXYRKULO-UHFFFAOYSA-N 0 0 436.500 3.194 50 5 IGBARN CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000009438815 569535024 /nfs/dbraw/zinc/53/50/24/569535024.db2.gz KTXUSEPLJSLSII-UHFFFAOYSA-N 0 0 429.564 3.070 50 5 IGBARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009507582 569542097 /nfs/dbraw/zinc/54/20/97/569542097.db2.gz MBJDYXFEKBQZSG-LBPRGKRZSA-N 0 0 436.453 3.136 50 5 IGBARN COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C ZINC000009509956 569542633 /nfs/dbraw/zinc/54/26/33/569542633.db2.gz UZKSOCPPWFCSPY-UHFFFAOYSA-N 0 0 429.473 3.299 50 5 IGBARN O=C(Cn1cc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCC1 ZINC000009519661 569544309 /nfs/dbraw/zinc/54/43/09/569544309.db2.gz HUSNQOSPXVSJEV-UHFFFAOYSA-N 0 0 427.482 3.146 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187226 569578570 /nfs/dbraw/zinc/57/85/70/569578570.db2.gz VVQXERJXNNPBFY-LBPRGKRZSA-N 0 0 445.906 3.110 50 5 IGBARN CC(C)OC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000010517652 569582733 /nfs/dbraw/zinc/58/27/33/569582733.db2.gz PHHPGCVBMJLUFD-INIZCTEOSA-N 0 0 428.413 3.234 50 5 IGBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000017198575 569584781 /nfs/dbraw/zinc/58/47/81/569584781.db2.gz OBZWXWMBUGEJLR-UHFFFAOYSA-N 0 0 435.488 3.041 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NC1CC1 ZINC000008781222 132294471 /nfs/dbraw/zinc/29/44/71/132294471.db2.gz OSIHPXIYCFJHGZ-UHFFFAOYSA-N 0 0 436.921 3.333 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1N1CCCCC1 ZINC000009193539 132308239 /nfs/dbraw/zinc/30/82/39/132308239.db2.gz KVAQBISUPNEODI-UHFFFAOYSA-N 0 0 448.520 3.235 50 5 IGBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1C1CCCCC1 ZINC000009240797 132310282 /nfs/dbraw/zinc/31/02/82/132310282.db2.gz MYVMCYHPBXIZEG-WMZHIEFXSA-N 0 0 440.500 3.297 50 5 IGBARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009601682 132323063 /nfs/dbraw/zinc/32/30/63/132323063.db2.gz BUFGPQCEAVBLAR-UHFFFAOYSA-N 0 0 446.891 3.174 50 5 IGBARN O=C(NCCc1nc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000010356671 132335664 /nfs/dbraw/zinc/33/56/64/132335664.db2.gz OHNKHUAZERJOFO-UHFFFAOYSA-N 0 0 428.880 3.199 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(c2ccccc2)CC1 ZINC000013031475 132342639 /nfs/dbraw/zinc/34/26/39/132342639.db2.gz BOHGAJJHFFASDM-UHFFFAOYSA-N 0 0 444.557 3.486 50 5 IGBARN C[C@@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013758740 132354338 /nfs/dbraw/zinc/35/43/38/132354338.db2.gz IMLIBDXSSRQGJJ-IYBDPMFKSA-N 0 0 426.521 3.040 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000016995330 132357117 /nfs/dbraw/zinc/35/71/17/132357117.db2.gz KFFPHOXYTVQCGS-VNOPPTIDSA-N 0 0 448.479 3.021 50 5 IGBARN COC(=O)Cc1nc2sc(C)c(C)c2c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000020740926 523381055 /nfs/dbraw/zinc/38/10/55/523381055.db2.gz JCWKAGLXIXGXOH-UHFFFAOYSA-N 0 0 441.513 3.258 50 5 IGBARN CC[C@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2CN(CCCOC)C1=O ZINC000035883814 523419639 /nfs/dbraw/zinc/41/96/39/523419639.db2.gz FWJXUOXOBWDXTI-LJQANCHMSA-N 0 0 427.457 3.383 50 5 IGBARN CCc1cc2c(ncn(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2=O)s1 ZINC000012522538 523848681 /nfs/dbraw/zinc/84/86/81/523848681.db2.gz XNDARUHTSPJOMK-UHFFFAOYSA-N 0 0 430.489 3.259 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035808625 524026709 /nfs/dbraw/zinc/02/67/09/524026709.db2.gz MCWBHPUGSASSAT-MEKIYTOJSA-N 0 0 428.448 3.366 50 5 IGBARN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000022140776 524994254 /nfs/dbraw/zinc/99/42/54/524994254.db2.gz BNYCRZJDHTXXRV-INIZCTEOSA-N 0 0 434.517 3.436 50 5 IGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)CCC2=O)cc1Cl ZINC000016294399 525232413 /nfs/dbraw/zinc/23/24/13/525232413.db2.gz PXTGWWQUQMPDOA-UHFFFAOYSA-N 0 0 430.848 3.370 50 5 IGBARN COc1ccc([C@H]2CC(=O)Oc3n[nH]c(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1OC ZINC000012420152 525405217 /nfs/dbraw/zinc/40/52/17/525405217.db2.gz YUMZVLHRRCNMOL-CQSZACIVSA-N 0 0 425.397 3.452 50 5 IGBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012565109 525660359 /nfs/dbraw/zinc/66/03/59/525660359.db2.gz FOPARWXVNLJARA-AWEZNQCLSA-N 0 0 438.937 3.357 50 5 IGBARN Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cccc1[N+](=O)[O-] ZINC000012911411 525831061 /nfs/dbraw/zinc/83/10/61/525831061.db2.gz BFGQXUHWCZFKBL-UHFFFAOYSA-N 0 0 443.525 3.431 50 5 IGBARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020789743 525887589 /nfs/dbraw/zinc/88/75/89/525887589.db2.gz CADMMJLJWKRANI-SNVBAGLBSA-N 0 0 440.239 3.202 50 5 IGBARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)n[nH]1 ZINC000020991896 526039235 /nfs/dbraw/zinc/03/92/35/526039235.db2.gz YCFWVMVYQUTGQJ-UHFFFAOYSA-N 0 0 441.513 3.113 50 5 IGBARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)n1C(C)C ZINC000012882185 526253785 /nfs/dbraw/zinc/25/37/85/526253785.db2.gz LOIRSUCCDCQXTD-UHFFFAOYSA-N 0 0 448.545 3.049 50 5 IGBARN O=C(CCSCc1cn2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012520481 526540413 /nfs/dbraw/zinc/54/04/13/526540413.db2.gz SYFUASVERUAZHJ-UHFFFAOYSA-N 0 0 425.514 3.215 50 5 IGBARN O=C(c1ccc(CN2CCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000035592514 526668588 /nfs/dbraw/zinc/66/85/88/526668588.db2.gz BWXYWSLSHHMURG-QFIPXVFZSA-N 0 0 436.468 3.067 50 5 IGBARN O=C(c1ccc(CN2CCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000035592513 526669676 /nfs/dbraw/zinc/66/96/76/526669676.db2.gz BWXYWSLSHHMURG-JOCHJYFZSA-N 0 0 436.468 3.067 50 5 IGBARN COC(=O)c1ccc(SCC(=O)N2CCN(c3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1 ZINC000003032011 536803200 /nfs/dbraw/zinc/80/32/00/536803200.db2.gz OLBWHDXDCATXAB-UHFFFAOYSA-N 0 0 443.525 3.439 50 5 IGBARN CCCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000006481419 556091012 /nfs/dbraw/zinc/09/10/12/556091012.db2.gz BYQAWHPUMXIMMG-KRWDZBQOSA-N 0 0 439.424 3.175 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000032753056 556314145 /nfs/dbraw/zinc/31/41/45/556314145.db2.gz VCZNZFXVHFKZEC-UHFFFAOYSA-N 0 0 425.894 3.076 50 5 IGBARN COc1ccc(N2C[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(OC)c1 ZINC000032842227 556427627 /nfs/dbraw/zinc/42/76/27/556427627.db2.gz SFXGVIMGPXFFCH-CQSZACIVSA-N 0 0 447.875 3.277 50 5 IGBARN O=C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(F)c1F ZINC000014815146 556447985 /nfs/dbraw/zinc/44/79/85/556447985.db2.gz ZVUSGLBNJGUMBL-UHFFFAOYSA-N 0 0 439.393 3.327 50 5 IGBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295979 556520807 /nfs/dbraw/zinc/52/08/07/556520807.db2.gz NQVZPVZZKFXDBW-NRFANRHFSA-N 0 0 436.449 3.325 50 5 IGBARN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100625490 556633275 /nfs/dbraw/zinc/63/32/75/556633275.db2.gz NJITUHXOJOAPTQ-CALCHBBNSA-N 0 0 434.404 3.090 50 5 IGBARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH]c(=O)c1C ZINC000011855016 556662167 /nfs/dbraw/zinc/66/21/67/556662167.db2.gz ZQZULKAUVUNFOJ-UHFFFAOYSA-N 0 0 426.414 3.054 50 5 IGBARN COc1ccccc1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000079064733 556738153 /nfs/dbraw/zinc/73/81/53/556738153.db2.gz HNTRMVYDMZPXIV-UHFFFAOYSA-N 0 0 438.253 3.467 50 5 IGBARN COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000013897196 556749358 /nfs/dbraw/zinc/74/93/58/556749358.db2.gz PXUAZIGZFHLGIC-UHFFFAOYSA-N 0 0 434.368 3.498 50 5 IGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000062581955 556837925 /nfs/dbraw/zinc/83/79/25/556837925.db2.gz HBFBBAPYENOHQK-HNNXBMFYSA-N 0 0 442.877 3.230 50 5 IGBARN COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000022998423 556840787 /nfs/dbraw/zinc/84/07/87/556840787.db2.gz YTBPCUHUWRXVOA-UHFFFAOYSA-N 0 0 442.497 3.192 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013937784 556974483 /nfs/dbraw/zinc/97/44/83/556974483.db2.gz DWXWFTXMTNMTNM-UHFFFAOYSA-N 0 0 436.515 3.197 50 5 IGBARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 ZINC000013955902 556976119 /nfs/dbraw/zinc/97/61/19/556976119.db2.gz VAITWPZCZPHHMM-UHFFFAOYSA-N 0 0 443.485 3.062 50 5 IGBARN C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]34)cc2NC1=O ZINC000023129908 557018212 /nfs/dbraw/zinc/01/82/12/557018212.db2.gz PUVFPCQBSMPODY-ROOHIHILSA-N 0 0 436.468 3.484 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000048236684 557047248 /nfs/dbraw/zinc/04/72/48/557047248.db2.gz WZWDNFKBNQAZEW-AWEZNQCLSA-N 0 0 444.513 3.437 50 5 IGBARN Cc1c(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000048250868 557051854 /nfs/dbraw/zinc/05/18/54/557051854.db2.gz SSAPZXXYZWACLL-CQSZACIVSA-N 0 0 434.470 3.007 50 5 IGBARN COc1ccc(CC2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)C2)cc1 ZINC000024829777 557165310 /nfs/dbraw/zinc/16/53/10/557165310.db2.gz MKNCJTXPGUFYCD-UHFFFAOYSA-N 0 0 431.514 3.067 50 5 IGBARN CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cc(Br)ccc1C ZINC000000778006 557172781 /nfs/dbraw/zinc/17/27/81/557172781.db2.gz CZMZPIMISLXMRY-UHFFFAOYSA-N 0 0 432.230 3.272 50 5 IGBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000101268320 557264947 /nfs/dbraw/zinc/26/49/47/557264947.db2.gz GUVIHPBJVPOERZ-QZTJIDSGSA-N 0 0 425.416 3.467 50 5 IGBARN CCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c1nc1c(C)cccn1c2=O ZINC000101158351 557283871 /nfs/dbraw/zinc/28/38/71/557283871.db2.gz JHFCACXUBUXDRR-UHFFFAOYSA-N 0 0 435.915 3.430 50 5 IGBARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000014245173 557327415 /nfs/dbraw/zinc/32/74/15/557327415.db2.gz KKFJBVWRCKRPIR-HNNXBMFYSA-N 0 0 426.410 3.191 50 5 IGBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] ZINC000102519651 557351312 /nfs/dbraw/zinc/35/13/12/557351312.db2.gz DVPFLIMJWPWIAV-FZDBZEDMSA-N 0 0 445.388 3.205 50 5 IGBARN O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023382227 557352093 /nfs/dbraw/zinc/35/20/93/557352093.db2.gz PTPWDUHSXCPFEJ-KUHUBIRLSA-N 0 0 435.440 3.040 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000102755958 557384278 /nfs/dbraw/zinc/38/42/78/557384278.db2.gz GZEQEFZTLJYHLO-BHIFYINESA-N 0 0 445.431 3.347 50 5 IGBARN CS/C(=C\[N+](=O)[O-])N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000100379703 557401521 /nfs/dbraw/zinc/40/15/21/557401521.db2.gz LZKAWURJIUGICL-WQLSENKSSA-N 0 0 437.356 3.082 50 5 IGBARN COc1cccc(Cn2c(CNC(=O)Cc3cccc([N+](=O)[O-])c3)nc3cccnc32)c1 ZINC000047145835 557517329 /nfs/dbraw/zinc/51/73/29/557517329.db2.gz IPGFUZQSIQZNGE-UHFFFAOYSA-N 0 0 431.452 3.255 50 5 IGBARN CCOC(=O)C1=C(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccco1 ZINC000108965371 557544699 /nfs/dbraw/zinc/54/46/99/557544699.db2.gz FKANSJXSQHVHSN-YJYMSZOUSA-N 0 0 428.445 3.052 50 5 IGBARN CN(C)c1noc(C2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)n1 ZINC000225740094 557771160 /nfs/dbraw/zinc/77/11/60/557771160.db2.gz WYPCPJHTNNOGDB-UHFFFAOYSA-N 0 0 439.270 3.218 50 5 IGBARN O=c1c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)c(=O)n1C1CCCC1 ZINC000034693979 557848809 /nfs/dbraw/zinc/84/88/09/557848809.db2.gz YXFMBOZMMKKRQA-UHFFFAOYSA-N 0 0 431.452 3.421 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)s1 ZINC000025055566 557856699 /nfs/dbraw/zinc/85/66/99/557856699.db2.gz QSZJAEYUBISZDX-GFCCVEGCSA-N 0 0 427.479 3.143 50 5 IGBARN CSc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000025067138 557860726 /nfs/dbraw/zinc/86/07/26/557860726.db2.gz MEHQVKLQWNADRG-ZDUSSCGKSA-N 0 0 442.497 3.153 50 5 IGBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000002601663 562928344 /nfs/dbraw/zinc/92/83/44/562928344.db2.gz WETNUDIWFHTWGA-VIFPVBQESA-N 0 0 439.925 3.457 50 5 IGBARN O=C(Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-])Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000008434993 562949410 /nfs/dbraw/zinc/94/94/10/562949410.db2.gz VDIJECJEMCBPPP-UHFFFAOYSA-N 0 0 428.317 3.039 50 5 IGBARN Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 ZINC000015952208 563020304 /nfs/dbraw/zinc/02/03/04/563020304.db2.gz ZKPYSZINGAYBRR-UHFFFAOYSA-N 0 0 427.457 3.152 50 5 IGBARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000025356666 568654186 /nfs/dbraw/zinc/65/41/86/568654186.db2.gz QTRROGZLWGLQAO-JTQLQIEISA-N 0 0 438.820 3.458 50 5 IGBARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001053244 568654622 /nfs/dbraw/zinc/65/46/22/568654622.db2.gz AUNHVWAJZUUZII-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COC(=O)c1c(C(=O)OC)c2c3ccccc3cnn2c1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001098890 568658207 /nfs/dbraw/zinc/65/82/07/568658207.db2.gz AYXTZAUFHOJARK-UHFFFAOYSA-N 0 0 433.376 3.200 50 5 IGBARN O=[N+]([O-])c1cc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)ccc1F ZINC000001217427 568737747 /nfs/dbraw/zinc/73/77/47/568737747.db2.gz OTOFDKOFVWAISF-UHFFFAOYSA-N 0 0 436.442 3.318 50 5 IGBARN COc1cc(C(=O)NCc2cc(C(N)=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000083923711 568785991 /nfs/dbraw/zinc/78/59/91/568785991.db2.gz DMWVVGQAYAHFAU-UHFFFAOYSA-N 0 0 446.803 3.066 50 5 IGBARN CCCc1nn2c(nc(CSc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2=O)s1 ZINC000015833188 568842728 /nfs/dbraw/zinc/84/27/28/568842728.db2.gz FSMXKPKADUGJGQ-UHFFFAOYSA-N 0 0 430.471 3.354 50 5 IGBARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)nn1 ZINC000015880863 568854422 /nfs/dbraw/zinc/85/44/22/568854422.db2.gz RHHKVRCBLDVRDQ-UHFFFAOYSA-N 0 0 432.845 3.361 50 5 IGBARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000064787589 568956263 /nfs/dbraw/zinc/95/62/63/568956263.db2.gz CSDRCQCMNJKPGZ-JOCHJYFZSA-N 0 0 446.463 3.042 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000036331976 569076750 /nfs/dbraw/zinc/07/67/50/569076750.db2.gz XTYQJDDJSCXYNN-NYQDVAGCSA-N 0 0 428.448 3.366 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000013137179 569125627 /nfs/dbraw/zinc/12/56/27/569125627.db2.gz XSZSGBVCQMBDKN-AWEZNQCLSA-N 0 0 433.486 3.276 50 5 IGBARN CCOC(=O)c1cc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000170601153 569143147 /nfs/dbraw/zinc/14/31/47/569143147.db2.gz TZVXLICVJVTHKQ-UHFFFAOYSA-N 0 0 435.477 3.291 50 5 IGBARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000010218652 569153520 /nfs/dbraw/zinc/15/35/20/569153520.db2.gz ZWVROYXOSCSZQY-UHFFFAOYSA-N 0 0 435.483 3.406 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000071853706 569154801 /nfs/dbraw/zinc/15/48/01/569154801.db2.gz FKKVHTPYIKSLPJ-UHFFFAOYSA-N 0 0 439.449 3.318 50 5 IGBARN O=C(Nc1ccc(Br)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000017155323 569174730 /nfs/dbraw/zinc/17/47/30/569174730.db2.gz SATOEQROHFBUKK-UHFFFAOYSA-N 0 0 444.241 3.400 50 5 IGBARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002187631 569190379 /nfs/dbraw/zinc/19/03/79/569190379.db2.gz KQVDQCUKLHATLV-UHFFFAOYSA-N 0 0 425.357 3.118 50 5 IGBARN CC(C)OCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000011692081 569262962 /nfs/dbraw/zinc/26/29/62/569262962.db2.gz UREAHIYDZXVJOP-UHFFFAOYSA-N 0 0 429.480 3.422 50 5 IGBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000002354172 569282711 /nfs/dbraw/zinc/28/27/11/569282711.db2.gz OVRZXZNRODZNMT-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009327544 569295450 /nfs/dbraw/zinc/29/54/50/569295450.db2.gz HRZLVHLBDMVARR-UHFFFAOYSA-N 0 0 429.433 3.019 50 5 IGBARN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000225436802 569300632 /nfs/dbraw/zinc/30/06/32/569300632.db2.gz TYTKLGYIQVXNHA-LBPRGKRZSA-N 0 0 431.239 3.299 50 5 IGBARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000013072508 569308771 /nfs/dbraw/zinc/30/87/71/569308771.db2.gz URTAIFBCNRRZDW-UHFFFAOYSA-N 0 0 445.859 3.282 50 5 IGBARN CC(C)C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095444978 569367088 /nfs/dbraw/zinc/36/70/88/569367088.db2.gz KQJOGSKBZXSKIB-QGZVFWFLSA-N 0 0 428.445 3.420 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(C)c(C)sc1NC(C)=O ZINC000002629307 569412038 /nfs/dbraw/zinc/41/20/38/569412038.db2.gz JRGVTOFGEGWHFQ-JTQLQIEISA-N 0 0 435.458 3.424 50 5 IGBARN COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002786050 569421281 /nfs/dbraw/zinc/42/12/81/569421281.db2.gz BKEJERDXTIPXIH-TZIWHRDSSA-N 0 0 447.451 3.018 50 5 IGBARN COc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 ZINC000002831869 569423166 /nfs/dbraw/zinc/42/31/66/569423166.db2.gz GVHWKTCSWAXHKG-UHFFFAOYSA-N 0 0 449.466 3.154 50 5 IGBARN CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000002847750 569423415 /nfs/dbraw/zinc/42/34/15/569423415.db2.gz KSYPIEBSRXDLAZ-UHFFFAOYSA-N 0 0 426.458 3.080 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000002871185 569423726 /nfs/dbraw/zinc/42/37/26/569423726.db2.gz JPVZPRRWNNSXIX-UHFFFAOYSA-N 0 0 435.502 3.163 50 5 IGBARN COc1ccc(CCNC(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)cc1OC ZINC000002965677 569433056 /nfs/dbraw/zinc/43/30/56/569433056.db2.gz YRZNQUISEBVZRI-UHFFFAOYSA-N 0 0 437.883 3.491 50 5 IGBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1[N+](=O)[O-] ZINC000003008843 569435082 /nfs/dbraw/zinc/43/50/82/569435082.db2.gz JBFGNEYPIVGPLN-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN Cc1c(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cccc1[N+](=O)[O-] ZINC000003008840 569435111 /nfs/dbraw/zinc/43/51/11/569435111.db2.gz XCTDJSHVJQSFOF-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN COCCCNC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000003000706 569435121 /nfs/dbraw/zinc/43/51/21/569435121.db2.gz BVRUPILTNKOZHP-UHFFFAOYSA-N 0 0 447.513 3.319 50 5 IGBARN COc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000057653107 569440650 /nfs/dbraw/zinc/44/06/50/569440650.db2.gz FCGSHKBNUSLLGG-MRXNPFEDSA-N 0 0 435.484 3.301 50 5 IGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000003241257 569442590 /nfs/dbraw/zinc/44/25/90/569442590.db2.gz ZCQXUTDYRYTEDR-UHFFFAOYSA-N 0 0 429.432 3.420 50 5 IGBARN Cc1cc(C(=O)NCC(=O)OCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000003373649 569448590 /nfs/dbraw/zinc/44/85/90/569448590.db2.gz HIYJICGLPWHTSS-UHFFFAOYSA-N 0 0 437.246 3.018 50 5 IGBARN CC(C)(C)NS(=O)(=O)c1ccc(Nc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000058147759 569448756 /nfs/dbraw/zinc/44/87/56/569448756.db2.gz APQLDBLGRDTMJP-UHFFFAOYSA-N 0 0 448.545 3.247 50 5 IGBARN O=C(Nc1cccc(Cl)c1)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058159530 569448861 /nfs/dbraw/zinc/44/88/61/569448861.db2.gz QLEOKAZPPGDCGT-UHFFFAOYSA-N 0 0 438.893 3.177 50 5 IGBARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003435035 569451025 /nfs/dbraw/zinc/45/10/25/569451025.db2.gz AVYLUMQDDZZQPX-UHFFFAOYSA-N 0 0 431.401 3.488 50 5 IGBARN COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c([N+](=O)[O-])cc1OC ZINC000003498507 569452703 /nfs/dbraw/zinc/45/27/03/569452703.db2.gz QXKOFWMFAHISMO-UHFFFAOYSA-N 0 0 443.412 3.356 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000003568992 569454185 /nfs/dbraw/zinc/45/41/85/569454185.db2.gz ULIJWRDYOSYSRQ-HXUWFJFHSA-N 0 0 428.422 3.134 50 5 IGBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1 ZINC000004084471 569458626 /nfs/dbraw/zinc/45/86/26/569458626.db2.gz AWCFLDOPPCKLFN-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2NC(SCc3ccccc3F)=NC2=N1 ZINC000004176570 569460657 /nfs/dbraw/zinc/46/06/57/569460657.db2.gz FGHRTZCTFFIMIA-KRWDZBQOSA-N 0 0 440.460 3.014 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000008449434 569464504 /nfs/dbraw/zinc/46/45/04/569464504.db2.gz GYUVJWXUBXFNJA-RWFYYTQISA-N 0 0 448.431 3.170 50 5 IGBARN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008825130 569477280 /nfs/dbraw/zinc/47/72/80/569477280.db2.gz AQMVISBDCWILGP-CSNVJCEJSA-N 0 0 435.498 3.329 50 5 IGBARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000040153497 569493607 /nfs/dbraw/zinc/49/36/07/569493607.db2.gz SIIQOQMKDQJLBA-UHFFFAOYSA-N 0 0 444.488 3.097 50 5 IGBARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245255447 569501378 /nfs/dbraw/zinc/50/13/78/569501378.db2.gz IHGXQWDGNSOYBF-MLNNCEHLSA-N 0 0 445.475 3.463 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NCCc1c[nH]c2ccccc12 ZINC000009220847 569512615 /nfs/dbraw/zinc/51/26/15/569512615.db2.gz QXKQDTLTLPPLGX-UHFFFAOYSA-N 0 0 436.468 3.192 50 5 IGBARN Cc1csc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn32)n1 ZINC000009240870 569514594 /nfs/dbraw/zinc/51/45/94/569514594.db2.gz WJFFIHZRINRETR-UHFFFAOYSA-N 0 0 427.471 3.195 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000009283308 569518880 /nfs/dbraw/zinc/51/88/80/569518880.db2.gz HGXJAJCVFYEDEN-UHFFFAOYSA-N 0 0 425.388 3.284 50 5 IGBARN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000009356130 569525459 /nfs/dbraw/zinc/52/54/59/569525459.db2.gz JSWBWTJODHLOKG-GFCCVEGCSA-N 0 0 441.893 3.358 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1cccc([N+](=O)[O-])c1C ZINC000009368389 569526637 /nfs/dbraw/zinc/52/66/37/569526637.db2.gz IMPNTBPUZQGESA-UHFFFAOYSA-N 0 0 446.529 3.437 50 5 IGBARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1 ZINC000009403372 569529495 /nfs/dbraw/zinc/52/94/95/569529495.db2.gz FULKUNBPRIFCLO-UHFFFAOYSA-N 0 0 448.892 3.350 50 5 IGBARN COc1ccc(NC(=O)CN(C)Cc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 ZINC000009491241 569540322 /nfs/dbraw/zinc/54/03/22/569540322.db2.gz YMBLDABOEAZIML-UHFFFAOYSA-N 0 0 438.278 3.445 50 5 IGBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009539565 569545658 /nfs/dbraw/zinc/54/56/58/569545658.db2.gz LMEAWVUMPSCGMN-UHFFFAOYSA-N 0 0 443.275 3.171 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCC1 ZINC000009584555 569549446 /nfs/dbraw/zinc/54/94/46/569549446.db2.gz CFIQGVVCPALXJK-UHFFFAOYSA-N 0 0 439.877 3.294 50 5 IGBARN C[C@@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005150532 132275093 /nfs/dbraw/zinc/27/50/93/132275093.db2.gz IMLIBDXSSRQGJJ-HZPDHXFCSA-N 0 0 426.521 3.040 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000008687431 132290532 /nfs/dbraw/zinc/29/05/32/132290532.db2.gz NGWOXLWQPABTCM-UHFFFAOYSA-N 0 0 429.420 3.433 50 5 IGBARN CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009130779 132305984 /nfs/dbraw/zinc/30/59/84/132305984.db2.gz HRDMZMVSFJTYTR-AUSIDOKSSA-N 0 0 436.468 3.021 50 5 IGBARN Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1N ZINC000009242945 132310441 /nfs/dbraw/zinc/31/04/41/132310441.db2.gz JELGKMSHTHKGSI-UHFFFAOYSA-N 0 0 426.498 3.150 50 5 IGBARN COC(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1 ZINC000009680373 132325700 /nfs/dbraw/zinc/32/57/00/132325700.db2.gz DALUMKWYZTXJEH-UHFFFAOYSA-N 0 0 437.374 3.363 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1NCc1cccnc1 ZINC000009720977 132327512 /nfs/dbraw/zinc/32/75/12/132327512.db2.gz KAQNGJWHGHOVPV-UHFFFAOYSA-N 0 0 425.880 3.372 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009934602 132332047 /nfs/dbraw/zinc/33/20/47/132332047.db2.gz BDLLTWUVLYLBQJ-UHFFFAOYSA-N 0 0 440.319 3.177 50 5 IGBARN CC(C)CN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035766896 519709656 /nfs/dbraw/zinc/70/96/56/519709656.db2.gz PGAONAAAWLSALE-NRFANRHFSA-N 0 0 443.500 3.494 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000016042195 519719752 /nfs/dbraw/zinc/71/97/52/519719752.db2.gz MHXRDIPADVDYNS-NFBKMPQASA-N 0 0 432.480 3.417 50 5 IGBARN CC(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000015168627 519835840 /nfs/dbraw/zinc/83/58/40/519835840.db2.gz UYRPMMYHYDOZDW-UHFFFAOYSA-N 0 0 433.530 3.376 50 5 IGBARN CCN(c1cccc(C)c1)S(=O)(=O)c1cn(CC(=O)OC)c2ccc([N+](=O)[O-])cc12 ZINC000012472245 521495412 /nfs/dbraw/zinc/49/54/12/521495412.db2.gz QTYYZRCWTMWDJZ-UHFFFAOYSA-N 0 0 431.470 3.246 50 5 IGBARN CNS(=O)(=O)c1ccc(N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000012559123 522294501 /nfs/dbraw/zinc/29/45/01/522294501.db2.gz RYOMEVKCLANAPI-QGZVFWFLSA-N 0 0 435.893 3.091 50 5 IGBARN CN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O ZINC000012466207 523335350 /nfs/dbraw/zinc/33/53/50/523335350.db2.gz KABZUTSYDRAZOM-HXUWFJFHSA-N 0 0 439.855 3.493 50 5 IGBARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023078880 524891709 /nfs/dbraw/zinc/89/17/09/524891709.db2.gz QGQUXQWKEYNILQ-UHFFFAOYSA-N 0 0 433.848 3.189 50 5 IGBARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1[N+](=O)[O-] ZINC000012887725 525029646 /nfs/dbraw/zinc/02/96/46/525029646.db2.gz GSAFGUXVDPXLIT-UHFFFAOYSA-N 0 0 443.525 3.431 50 5 IGBARN CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2SC(F)F)c([N+](=O)[O-])c1 ZINC000012545388 525257101 /nfs/dbraw/zinc/25/71/01/525257101.db2.gz XDIQOFBBZBIEOE-UHFFFAOYSA-N 0 0 445.469 3.155 50 5 IGBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O ZINC000013113377 525319256 /nfs/dbraw/zinc/31/92/56/525319256.db2.gz MFYVHSFECIXWTC-GOSISDBHSA-N 0 0 448.229 3.053 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000012557630 525528719 /nfs/dbraw/zinc/52/87/19/525528719.db2.gz CTWQCAHLJHHCFX-UHFFFAOYSA-N 0 0 426.498 3.352 50 5 IGBARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000012791920 525757283 /nfs/dbraw/zinc/75/72/83/525757283.db2.gz ZQKRGOCYIYHEGM-GOSISDBHSA-N 0 0 448.317 3.469 50 5 IGBARN C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(Br)Br ZINC000012384400 525786270 /nfs/dbraw/zinc/78/62/70/525786270.db2.gz AXZVLSUWLUWFQV-AWEZNQCLSA-N 0 0 447.127 3.140 50 5 IGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023561399 525989301 /nfs/dbraw/zinc/98/93/01/525989301.db2.gz LANWQHLLODMWPD-YWZLYKJASA-N 0 0 433.505 3.404 50 5 IGBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023409396 526579582 /nfs/dbraw/zinc/57/95/82/526579582.db2.gz DXRBOXLCQXGKON-OAQYLSRUSA-N 0 0 428.464 3.112 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2noc(-c3ccccc3Cl)n2)CC1 ZINC000034904651 526714999 /nfs/dbraw/zinc/71/49/99/526714999.db2.gz UYCWJCLPHVSWMH-UHFFFAOYSA-N 0 0 427.848 3.256 50 5 IGBARN O=C(c1ccccc1)c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 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PEQXBINKWMIGNO-IBGZPJMESA-N 0 0 442.501 3.089 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013958734 557008561 /nfs/dbraw/zinc/00/85/61/557008561.db2.gz UGRCFRCUMNPOTG-UHFFFAOYSA-N 0 0 430.313 3.408 50 5 IGBARN O=C(NC(=S)Nc1ccc(I)cc1)c1ccccc1[N+](=O)[O-] ZINC000000674789 557132609 /nfs/dbraw/zinc/13/26/09/557132609.db2.gz CBGPFQVGQVZTPU-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000023401080 557352790 /nfs/dbraw/zinc/35/27/90/557352790.db2.gz KNGSNQMRQAUUAX-UHFFFAOYSA-N 0 0 448.501 3.100 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)c1 ZINC000047147321 557517519 /nfs/dbraw/zinc/51/75/19/557517519.db2.gz DZNVBBKDZVNWOA-UHFFFAOYSA-N 0 0 441.444 3.005 50 5 IGBARN O=C(Nc1cccc(F)c1)c1coc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000034678059 557840699 /nfs/dbraw/zinc/84/06/99/557840699.db2.gz GEFAQTWIYUFXPS-UHFFFAOYSA-N 0 0 439.447 3.292 50 5 IGBARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000009519607 562972880 /nfs/dbraw/zinc/97/28/80/562972880.db2.gz DFKZKVNENCNHSS-UHFFFAOYSA-N 0 0 429.498 3.392 50 5 IGBARN Cc1cc(C(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)no1 ZINC000001054815 568654672 /nfs/dbraw/zinc/65/46/72/568654672.db2.gz RAPNVKMOXCSAIZ-UHFFFAOYSA-N 0 0 434.861 3.358 50 5 IGBARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001099246 568658221 /nfs/dbraw/zinc/65/82/21/568658221.db2.gz PETCELBDGZFNBV-UHFFFAOYSA-N 0 0 440.433 3.435 50 5 IGBARN O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001117547 568659575 /nfs/dbraw/zinc/65/95/75/568659575.db2.gz DOBSCZBZHXMBOK-UHFFFAOYSA-N 0 0 425.418 3.467 50 5 IGBARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000001141448 568660734 /nfs/dbraw/zinc/66/07/34/568660734.db2.gz UCNKUGXNMACTQT-UHFFFAOYSA-N 0 0 438.436 3.317 50 5 IGBARN Cc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C2CC2)cc1 ZINC000025500001 568661361 /nfs/dbraw/zinc/66/13/61/568661361.db2.gz WTQSUIYQMFMOKH-NRFANRHFSA-N 0 0 431.514 3.487 50 5 IGBARN O=C1[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000019171775 568782326 /nfs/dbraw/zinc/78/23/26/568782326.db2.gz BQUOUFFAFFJOTE-VSKRKVRLSA-N 0 0 428.448 3.215 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015549005 568797931 /nfs/dbraw/zinc/79/79/31/568797931.db2.gz PSSKNYMWTBZWQZ-MRXNPFEDSA-N 0 0 448.545 3.257 50 5 IGBARN CCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000100677548 568838995 /nfs/dbraw/zinc/83/89/95/568838995.db2.gz IXCNWOFPRQTJSU-UHFFFAOYSA-N 0 0 436.537 3.378 50 5 IGBARN O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000016447451 568902842 /nfs/dbraw/zinc/90/28/42/568902842.db2.gz XFTDLLXHZKNKCO-UHFFFAOYSA-N 0 0 427.638 3.484 50 5 IGBARN CCCCNC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000035744943 568918035 /nfs/dbraw/zinc/91/80/35/568918035.db2.gz UQKAQMLPGCDTBU-UHFFFAOYSA-N 0 0 425.489 3.479 50 5 IGBARN CC(C)OC[C@H](O)CN[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154866 568964644 /nfs/dbraw/zinc/96/46/44/568964644.db2.gz FXMPJPGOYSKVGZ-UXHICEINSA-N 0 0 426.473 3.304 50 5 IGBARN CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254422 568984792 /nfs/dbraw/zinc/98/47/92/568984792.db2.gz DHUKOXIVLDGWQB-DYESRHJHSA-N 0 0 430.549 3.074 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 ZINC000010220699 569153032 /nfs/dbraw/zinc/15/30/32/569153032.db2.gz DMDNCFRBMUVOEO-UHFFFAOYSA-N 0 0 445.453 3.269 50 5 IGBARN Cc1nc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000089708966 569161916 /nfs/dbraw/zinc/16/19/16/569161916.db2.gz BXFZPKZMOZRHRL-HNNXBMFYSA-N 0 0 447.561 3.469 50 5 IGBARN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 ZINC000170638846 569178718 /nfs/dbraw/zinc/17/87/18/569178718.db2.gz ATIXMRUJWLXGBI-UONOGXRCSA-N 0 0 430.242 3.277 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000027528478 569263591 /nfs/dbraw/zinc/26/35/91/569263591.db2.gz SUKDBOLEVYOVQC-FGEXJBCWSA-N 0 0 440.455 3.446 50 5 IGBARN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1I ZINC000008916744 569292201 /nfs/dbraw/zinc/29/22/01/569292201.db2.gz NXXCURFGFMMITC-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000009525983 569297191 /nfs/dbraw/zinc/29/71/91/569297191.db2.gz MIBDIMYUQRSBSJ-CYBMUJFWSA-N 0 0 431.832 3.091 50 5 IGBARN CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000009891886 569298374 /nfs/dbraw/zinc/29/83/74/569298374.db2.gz NEKRKCLMJZTUPO-UHFFFAOYSA-N 0 0 445.328 3.454 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000010060094 569299324 /nfs/dbraw/zinc/29/93/24/569299324.db2.gz MFOWQTXZPYKFLH-LJQANCHMSA-N 0 0 436.428 3.131 50 5 IGBARN CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000013008135 569306272 /nfs/dbraw/zinc/30/62/72/569306272.db2.gz QPFGPZCACYKVKP-UHFFFAOYSA-N 0 0 430.232 3.302 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000013027998 569307358 /nfs/dbraw/zinc/30/73/58/569307358.db2.gz CPMVLTXSOJBYFH-SECBINFHSA-N 0 0 448.526 3.015 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013041232 569307598 /nfs/dbraw/zinc/30/75/98/569307598.db2.gz DXSZWJFRGUHUDE-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013370739 569314344 /nfs/dbraw/zinc/31/43/44/569314344.db2.gz RRLRTYLZAZPELC-FXKZBUDASA-N 0 0 449.500 3.318 50 5 IGBARN O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018250469 569316195 /nfs/dbraw/zinc/31/61/95/569316195.db2.gz OCNGPWPZLIULOE-SFHVURJKSA-N 0 0 449.294 3.356 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000095393627 569363350 /nfs/dbraw/zinc/36/33/50/569363350.db2.gz RVDJWRUDDQFPFI-OALUTQOASA-N 0 0 434.404 3.090 50 5 IGBARN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 ZINC000095451737 569367909 /nfs/dbraw/zinc/36/79/09/569367909.db2.gz XMBQDRGTGKUKQJ-CQSZACIVSA-N 0 0 440.241 3.182 50 5 IGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000095467612 569371046 /nfs/dbraw/zinc/37/10/46/569371046.db2.gz DNWBGKPRMMFMNQ-AOMKIAJQSA-N 0 0 445.541 3.459 50 5 IGBARN O=C(CSc1ccccn1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002488974 569404842 /nfs/dbraw/zinc/40/48/42/569404842.db2.gz GDYHHUGNKALIIQ-UHFFFAOYSA-N 0 0 436.496 3.010 50 5 IGBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002728535 569418726 /nfs/dbraw/zinc/41/87/26/569418726.db2.gz WQHHUDWMOXBIEA-UHFFFAOYSA-N 0 0 441.398 3.177 50 5 IGBARN COc1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000028737622 569419337 /nfs/dbraw/zinc/41/93/37/569419337.db2.gz UOYLTNLSZUZENX-UHFFFAOYSA-N 0 0 447.398 3.267 50 5 IGBARN O=C(NOCc1ccccc1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000002796979 569421637 /nfs/dbraw/zinc/42/16/37/569421637.db2.gz YECRMXXNPMNBHJ-UHFFFAOYSA-N 0 0 431.246 3.464 50 5 IGBARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000002842815 569423248 /nfs/dbraw/zinc/42/32/48/569423248.db2.gz RNQXIBVLDDGKNT-UHFFFAOYSA-N 0 0 430.467 3.439 50 5 IGBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1cccc([N+](=O)[O-])c1 ZINC000003008814 569435086 /nfs/dbraw/zinc/43/50/86/569435086.db2.gz WOUZCDDPKFZFLF-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN O=C(CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F ZINC000029848148 569435328 /nfs/dbraw/zinc/43/53/28/569435328.db2.gz HMVKJVGLRFHJHX-UHFFFAOYSA-N 0 0 448.405 3.022 50 5 IGBARN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057574228 569439918 /nfs/dbraw/zinc/43/99/18/569439918.db2.gz JWDSJCPNDFBHNA-GOSISDBHSA-N 0 0 433.512 3.278 50 5 IGBARN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000058014548 569444980 /nfs/dbraw/zinc/44/49/80/569444980.db2.gz ZZIRVDDBIKSRIN-ZDUSSCGKSA-N 0 0 433.914 3.316 50 5 IGBARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000003596257 569454659 /nfs/dbraw/zinc/45/46/59/569454659.db2.gz XBVSNRIBRYQPCW-HXUWFJFHSA-N 0 0 430.848 3.434 50 5 IGBARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O ZINC000003595241 569454660 /nfs/dbraw/zinc/45/46/60/569454660.db2.gz DJRMZCZBPZMCQB-HXUWFJFHSA-N 0 0 430.848 3.352 50 5 IGBARN O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccc([N+](=O)[O-])cc1 ZINC000003849112 569456682 /nfs/dbraw/zinc/45/66/82/569456682.db2.gz VDJYROQHBGVPDA-XJKSGUPXSA-N 0 0 434.191 3.029 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004111593 569459408 /nfs/dbraw/zinc/45/94/08/569459408.db2.gz RRLRTYLZAZPELC-JFNLIGNMSA-N 0 0 449.500 3.318 50 5 IGBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000032371049 569461424 /nfs/dbraw/zinc/46/14/24/569461424.db2.gz MHRSIWANDYDOGV-UHFFFAOYSA-N 0 0 441.875 3.185 50 5 IGBARN CC(C)OC(=O)c1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc(C(=O)OC(C)C)c1 ZINC000008441845 569464541 /nfs/dbraw/zinc/46/45/41/569464541.db2.gz IDCONDYJJLEGPT-UHFFFAOYSA-N 0 0 438.824 3.354 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000008722153 569471774 /nfs/dbraw/zinc/47/17/74/569471774.db2.gz XBKJSDHHZMFCDJ-INIZCTEOSA-N 0 0 446.441 3.329 50 5 IGBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008972060 569492793 /nfs/dbraw/zinc/49/27/93/569492793.db2.gz QKBKATJWXBDGNI-UHFFFAOYSA-N 0 0 449.423 3.468 50 5 IGBARN O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 ZINC000040153788 569493645 /nfs/dbraw/zinc/49/36/45/569493645.db2.gz RPVUNJLNMMKVBT-UHFFFAOYSA-N 0 0 432.868 3.173 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 ZINC000245255669 569501381 /nfs/dbraw/zinc/50/13/81/569501381.db2.gz KFFPHOXYTVQCGS-VEQVNTQVSA-N 0 0 448.479 3.225 50 5 IGBARN COc1ccc(NC(=O)CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000009127571 569505199 /nfs/dbraw/zinc/50/51/99/569505199.db2.gz HCYYGMGZVCZMCE-QFIPXVFZSA-N 0 0 440.456 3.035 50 5 IGBARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000009190651 569510584 /nfs/dbraw/zinc/51/05/84/569510584.db2.gz APVNSOFPMZANLO-XMMPIXPASA-N 0 0 446.415 3.331 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 ZINC000009356463 569525558 /nfs/dbraw/zinc/52/55/58/569525558.db2.gz MZEJHLHNJOOWQS-UHFFFAOYSA-N 0 0 433.486 3.339 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccn(CCc3ccccn3)n2)c([N+](=O)[O-])c1 ZINC000070012041 569528513 /nfs/dbraw/zinc/52/85/13/569528513.db2.gz UZJJYKSFYSZNSL-UHFFFAOYSA-N 0 0 444.517 3.203 50 5 IGBARN C[C@H](O)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009388788 569528567 /nfs/dbraw/zinc/52/85/67/569528567.db2.gz PSMLPIHDXRIRDT-NSHDSACASA-N 0 0 448.888 3.070 50 5 IGBARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009453876 569536641 /nfs/dbraw/zinc/53/66/41/569536641.db2.gz JYXOMVCZUHBWSH-UHFFFAOYSA-N 0 0 439.241 3.005 50 5 IGBARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000009583784 569549357 /nfs/dbraw/zinc/54/93/57/569549357.db2.gz YOPILZMTKZNJRG-UHFFFAOYSA-N 0 0 428.474 3.235 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000009608699 569552182 /nfs/dbraw/zinc/55/21/82/569552182.db2.gz FACIBEASGGTPFZ-IBGZPJMESA-N 0 0 446.529 3.069 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)nn1 ZINC000009627087 569553556 /nfs/dbraw/zinc/55/35/56/569553556.db2.gz SUJGQSZROCAVOK-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)sc2c1 ZINC000009672500 569558829 /nfs/dbraw/zinc/55/88/29/569558829.db2.gz APKYOCQDPAZLMB-UHFFFAOYSA-N 0 0 446.510 3.461 50 5 IGBARN Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000009829074 569569932 /nfs/dbraw/zinc/56/99/32/569569932.db2.gz AXQBZKCQHIBOIH-UHFFFAOYSA-N 0 0 434.481 3.416 50 5 IGBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)c1 ZINC000009853652 569571490 /nfs/dbraw/zinc/57/14/90/569571490.db2.gz ZEHCGYTZYQQBFF-UHFFFAOYSA-N 0 0 440.890 3.124 50 5 IGBARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009916634 569573467 /nfs/dbraw/zinc/57/34/67/569573467.db2.gz QFLBBYOEOYKQCT-OAQYLSRUSA-N 0 0 432.480 3.164 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000008441626 132282113 /nfs/dbraw/zinc/28/21/13/132282113.db2.gz OLLGRNNLAMSFRJ-UHFFFAOYSA-N 0 0 432.889 3.307 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000009010580 132300655 /nfs/dbraw/zinc/30/06/55/132300655.db2.gz WCSTVDKUEKPMFP-UHFFFAOYSA-N 0 0 429.420 3.433 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)CCC2 ZINC000009045535 132301142 /nfs/dbraw/zinc/30/11/42/132301142.db2.gz JWHFGAGSAFNYKB-UHFFFAOYSA-N 0 0 445.497 3.411 50 5 IGBARN O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)nc2ccccc12 ZINC000009379471 132314649 /nfs/dbraw/zinc/31/46/49/132314649.db2.gz XCJKLKHMVONOSS-UHFFFAOYSA-N 0 0 433.390 3.172 50 5 IGBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1c1ccccc1 ZINC000009433927 132317295 /nfs/dbraw/zinc/31/72/95/132317295.db2.gz BUMYVVCJEIASFD-CVDCTZTESA-N 0 0 436.468 3.192 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000009714282 132327129 /nfs/dbraw/zinc/32/71/29/132327129.db2.gz PGUGDBJFPACKCS-UHFFFAOYSA-N 0 0 448.520 3.235 50 5 IGBARN CCOC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000009907803 132331308 /nfs/dbraw/zinc/33/13/08/132331308.db2.gz UMAPXLICDCIYQK-RMKNXTFCSA-N 0 0 425.441 3.260 50 5 IGBARN Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1[N+](=O)[O-] ZINC000011765915 132339370 /nfs/dbraw/zinc/33/93/70/132339370.db2.gz WIYBTZZIKMTCJB-UHFFFAOYSA-N 0 0 449.393 3.215 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000012608985 519592556 /nfs/dbraw/zinc/59/25/56/519592556.db2.gz UFWAALOVNLDYAT-UHFFFAOYSA-N 0 0 430.892 3.189 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999815 519820000 /nfs/dbraw/zinc/82/00/00/519820000.db2.gz LFJRZOLGYJLFJC-SFTDATJTSA-N 0 0 441.528 3.497 50 5 IGBARN CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000012869820 522038781 /nfs/dbraw/zinc/03/87/81/522038781.db2.gz ROVJFXXFCKNKIS-ZDUSSCGKSA-N 0 0 442.515 3.126 50 5 IGBARN COc1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])cc1OC ZINC000016143799 522335495 /nfs/dbraw/zinc/33/54/95/522335495.db2.gz FMHZLHKRFSVALP-UHFFFAOYSA-N 0 0 436.848 3.399 50 5 IGBARN COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000012750204 523624266 /nfs/dbraw/zinc/62/42/66/523624266.db2.gz DCHIVAKGCJXRNE-UHFFFAOYSA-N 0 0 426.425 3.110 50 5 IGBARN CN1CCN(S(=O)(=O)c2ccc(Oc3cccc4c3OC(C)(C)C4)c([N+](=O)[O-])c2)CC1 ZINC000012785807 523915563 /nfs/dbraw/zinc/91/55/63/523915563.db2.gz XOWLKASDGJEWCC-UHFFFAOYSA-N 0 0 447.513 3.037 50 5 IGBARN C[C@H]1Cc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2N1S(C)(=O)=O ZINC000012777644 524979209 /nfs/dbraw/zinc/97/92/09/524979209.db2.gz HYQFXVGLAOWTOB-LBPRGKRZSA-N 0 0 437.905 3.231 50 5 IGBARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000018977402 525395311 /nfs/dbraw/zinc/39/53/11/525395311.db2.gz MSBGRZHLVZOZQX-UHFFFAOYSA-N 0 0 447.513 3.485 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000012556325 525662316 /nfs/dbraw/zinc/66/23/16/525662316.db2.gz XPVBYUQOJJZDIP-ZDUSSCGKSA-N 0 0 425.894 3.442 50 5 IGBARN C[C@@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100063893 525786412 /nfs/dbraw/zinc/78/64/12/525786412.db2.gz SQGZYCYQDLUUIW-LLVKDONJSA-N 0 0 439.812 3.364 50 5 IGBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012926527 526080019 /nfs/dbraw/zinc/08/00/19/526080019.db2.gz BZSXOTRUXASZAK-YHVDPYDOSA-N 0 0 429.498 3.368 50 5 IGBARN Cc1cc(=O)c(C(=O)Nc2ccc(Br)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000021887305 526133257 /nfs/dbraw/zinc/13/32/57/526133257.db2.gz ZULNHMZVQIMCNJ-UHFFFAOYSA-N 0 0 429.230 3.464 50 5 IGBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000011919195 526216579 /nfs/dbraw/zinc/21/65/79/526216579.db2.gz XKCNNDZKCRXRFS-LBPRGKRZSA-N 0 0 430.848 3.084 50 5 IGBARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024562950 527039030 /nfs/dbraw/zinc/03/90/30/527039030.db2.gz XYVYEJWZMVOVMX-IBGZPJMESA-N 0 0 443.467 3.228 50 5 IGBARN O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000012565407 527088014 /nfs/dbraw/zinc/08/80/14/527088014.db2.gz VSVUYKMAXWFFTG-UHFFFAOYSA-N 0 0 433.446 3.378 50 5 IGBARN O=C1c2oc3c4ccccc4ccc3c(=O)c2[C@@H](c2ccncc2)N1CCN1CCOCC1 ZINC000020308785 527136894 /nfs/dbraw/zinc/13/68/94/527136894.db2.gz YPDQGPPKIFTISK-JOCHJYFZSA-N 0 0 441.487 3.219 50 5 IGBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@@H]12 ZINC000035870268 527493798 /nfs/dbraw/zinc/49/37/98/527493798.db2.gz OSULNYAXXILEGV-UWJYYQICSA-N 0 0 426.904 3.394 50 5 IGBARN COc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCOCC3)C2=O)cc1 ZINC000004172223 536665298 /nfs/dbraw/zinc/66/52/98/536665298.db2.gz CISIEIDINRIZBG-UHFFFAOYSA-N 0 0 433.420 3.394 50 5 IGBARN O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000008441854 556176724 /nfs/dbraw/zinc/17/67/24/556176724.db2.gz GCZOBHVVSHAWAI-UHFFFAOYSA-N 0 0 436.684 3.164 50 5 IGBARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999812 556653460 /nfs/dbraw/zinc/65/34/60/556653460.db2.gz LFJRZOLGYJLFJC-NHCUHLMSSA-N 0 0 441.528 3.497 50 5 IGBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3Br)nn12 ZINC000013748593 556725229 /nfs/dbraw/zinc/72/52/29/556725229.db2.gz RSEGDDSFDXNTGL-ZROIWOOFSA-N 0 0 429.255 3.036 50 5 IGBARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000010749526 557023918 /nfs/dbraw/zinc/02/39/18/557023918.db2.gz URDSCKPWSSDQON-UHFFFAOYSA-N 0 0 440.239 3.156 50 5 IGBARN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000023143580 557025587 /nfs/dbraw/zinc/02/55/87/557025587.db2.gz OMTQCORXNZIJIV-UHFFFAOYSA-N 0 0 449.363 3.188 50 5 IGBARN CCOC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)cc([N+](=O)[O-])c1 ZINC000010855729 557040286 /nfs/dbraw/zinc/04/02/86/557040286.db2.gz RCWITPYGXLHPLE-AWEZNQCLSA-N 0 0 446.456 3.437 50 5 IGBARN O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 ZINC000048362295 557074352 /nfs/dbraw/zinc/07/43/52/557074352.db2.gz FBKXOGISSINOMQ-FQEVSTJZSA-N 0 0 433.468 3.194 50 5 IGBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581043 557116270 /nfs/dbraw/zinc/11/62/70/557116270.db2.gz OZOOYIVANYTWRP-AUSIDOKSSA-N 0 0 447.491 3.450 50 5 IGBARN O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000654132 557125295 /nfs/dbraw/zinc/12/52/95/557125295.db2.gz UQCAMPOHXLTRGV-KRWDZBQOSA-N 0 0 431.298 3.188 50 5 IGBARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000011461961 557151932 /nfs/dbraw/zinc/15/19/32/557151932.db2.gz UTQPPSJODKKCDD-UHFFFAOYSA-N 0 0 435.314 3.251 50 5 IGBARN Cc1ccc(Cn2c(=N)c(C(=O)NC3CCCC3)cc3c2nc2ccccn2c3=O)cc1 ZINC000100851376 557192204 /nfs/dbraw/zinc/19/22/04/557192204.db2.gz BJVCBLIHAAPVRC-UHFFFAOYSA-N 0 0 427.508 3.158 50 5 IGBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1cc2ccccc2oc1=O ZINC000100872699 557194830 /nfs/dbraw/zinc/19/48/30/557194830.db2.gz YQISFHUCINSVMY-MRCUWXFGSA-N 0 0 425.422 3.105 50 5 IGBARN CCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c1nc1ccc(C)cn1c2=O ZINC000100942133 557203131 /nfs/dbraw/zinc/20/31/31/557203131.db2.gz KFVHFEQORFVIBI-UHFFFAOYSA-N 0 0 436.537 3.297 50 5 IGBARN CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000101160253 557257129 /nfs/dbraw/zinc/25/71/29/557257129.db2.gz WXUSHRAFSVDKIK-GOSISDBHSA-N 0 0 443.481 3.387 50 5 IGBARN CCOC(=O)N1CCC(Nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000101860984 557303926 /nfs/dbraw/zinc/30/39/26/557303926.db2.gz SGECOPFOXDVCSN-IRXDYDNUSA-N 0 0 444.488 3.307 50 5 IGBARN Cc1c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000014136905 557308905 /nfs/dbraw/zinc/30/89/05/557308905.db2.gz XXCPIOWVDGALRR-UHFFFAOYSA-N 0 0 436.453 3.056 50 5 IGBARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000084510406 557308948 /nfs/dbraw/zinc/30/89/48/557308948.db2.gz ITANFWUKEAHAIW-QFIPXVFZSA-N 0 0 432.521 3.283 50 5 IGBARN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000000835135 557331583 /nfs/dbraw/zinc/33/15/83/557331583.db2.gz XVDMUGUIAWGPNU-UHFFFAOYSA-N 0 0 425.466 3.107 50 5 IGBARN COc1cc(N2C(=O)[C@H]3[C@H](C(C)=O)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000247898287 557398333 /nfs/dbraw/zinc/39/83/33/557398333.db2.gz DPMUTYNODWNDAB-MLNNCEHLSA-N 0 0 447.447 3.016 50 5 IGBARN O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccc([N+](=O)[O-])cc1 ZINC000100354925 557400914 /nfs/dbraw/zinc/40/09/14/557400914.db2.gz VDJYROQHBGVPDA-BBRMVZONSA-N 0 0 434.191 3.029 50 5 IGBARN CCOC(=O)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1C ZINC000061070590 557409587 /nfs/dbraw/zinc/40/95/87/557409587.db2.gz JLIQXXLQURZSKS-QFIPXVFZSA-N 0 0 436.468 3.360 50 5 IGBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C)C[C@H](C)CC2 ZINC000000845109 557418520 /nfs/dbraw/zinc/41/85/20/557418520.db2.gz JUGGLJBRVKDULD-MRVPVSSYSA-N 0 0 426.882 3.365 50 5 IGBARN COc1ccc(-n2c(O)c3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000103618337 557439308 /nfs/dbraw/zinc/43/93/08/557439308.db2.gz ZQUYTOZKARLXOD-IFMALSPDSA-N 0 0 442.431 3.386 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000103999962 557447299 /nfs/dbraw/zinc/44/72/99/557447299.db2.gz VXWNHYQXRDWVHF-GDBMZVCRSA-N 0 0 436.207 3.203 50 5 IGBARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000104818309 557462202 /nfs/dbraw/zinc/46/22/02/557462202.db2.gz PESQUIJHARZZEO-CZUORRHYSA-N 0 0 443.504 3.365 50 5 IGBARN CCCN(CCC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000024979431 557803919 /nfs/dbraw/zinc/80/39/19/557803919.db2.gz VXLIIWWMIMACRN-UHFFFAOYSA-N 0 0 431.942 3.298 50 5 IGBARN O=C(Nc1ccccc1C(=O)N1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000024996772 557829954 /nfs/dbraw/zinc/82/99/54/557829954.db2.gz JHXUUWYBOWQJNF-UHFFFAOYSA-N 0 0 445.859 3.480 50 5 IGBARN Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)c1 ZINC000000850480 557830189 /nfs/dbraw/zinc/83/01/89/557830189.db2.gz JKNYDJZRMHJGBA-UHFFFAOYSA-N 0 0 432.230 3.291 50 5 IGBARN COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000854469 557830208 /nfs/dbraw/zinc/83/02/08/557830208.db2.gz NOTKUNPHICYJIV-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000025064056 557860631 /nfs/dbraw/zinc/86/06/31/557860631.db2.gz NAAQFCVCMGFYNF-UHFFFAOYSA-N 0 0 448.501 3.100 50 5 IGBARN CCOC(=O)C[C@@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000003623179 562936871 /nfs/dbraw/zinc/93/68/71/562936871.db2.gz PKOQIOVAKQYPJR-QGZVFWFLSA-N 0 0 440.408 3.134 50 5 IGBARN COc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 ZINC000008398252 562949214 /nfs/dbraw/zinc/94/92/14/562949214.db2.gz QVNBVNUAMSWNMT-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000008398255 562949221 /nfs/dbraw/zinc/94/92/21/562949221.db2.gz JQXNXDRSRZITLS-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COc1ccc(C2(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCOCC2)cc1OC ZINC000008829442 562964607 /nfs/dbraw/zinc/96/46/07/562964607.db2.gz FPJXESSRNRQWCC-UHFFFAOYSA-N 0 0 430.457 3.099 50 5 IGBARN C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000009053809 562966738 /nfs/dbraw/zinc/96/67/38/562966738.db2.gz IXCXKTJQLRBPDE-JKSUJKDBSA-N 0 0 447.513 3.024 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000018967253 568629845 /nfs/dbraw/zinc/62/98/45/568629845.db2.gz JGWCFZZNQKVVTR-HSZRJFAPSA-N 0 0 437.452 3.273 50 5 IGBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000025154053 568643607 /nfs/dbraw/zinc/64/36/07/568643607.db2.gz ANOSBIHBBUYPKM-UHFFFAOYSA-N 0 0 438.484 3.049 50 5 IGBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000990542 568648238 /nfs/dbraw/zinc/64/82/38/568648238.db2.gz VFDLEPFLEILRCA-UHFFFAOYSA-N 0 0 444.399 3.284 50 5 IGBARN C[C@@H](C(=O)Nc1nc(-c2cccc(F)c2)cs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000025322171 568653438 /nfs/dbraw/zinc/65/34/38/568653438.db2.gz KZGLBKAYCXKRMF-JTQLQIEISA-N 0 0 440.412 3.481 50 5 IGBARN O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC000001030773 568653650 /nfs/dbraw/zinc/65/36/50/568653650.db2.gz DRHUJGZBZFHGMA-UHFFFAOYSA-N 0 0 434.330 3.458 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1C ZINC000001077729 568654749 /nfs/dbraw/zinc/65/47/49/568654749.db2.gz XQVBKCBCERJQLJ-MRXNPFEDSA-N 0 0 447.513 3.260 50 5 IGBARN C[C@H](C(=O)N1CCC(C)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025389872 568656201 /nfs/dbraw/zinc/65/62/01/568656201.db2.gz BFXRTVRYUJVPFE-OAHLLOKOSA-N 0 0 428.455 3.383 50 5 IGBARN Cc1ccc(C(=O)N2CCc3nc(N4CCCC4)nc(N4CCCC4)c3C2)cc1[N+](=O)[O-] ZINC000034756441 568737930 /nfs/dbraw/zinc/73/79/30/568737930.db2.gz OHQZKNYFTDKLMY-UHFFFAOYSA-N 0 0 436.516 3.092 50 5 IGBARN CCOC(=O)c1nnn2c1sc1c(C(=O)OCC)nnn1c1cc3ccccc3cc12 ZINC000001409637 568787471 /nfs/dbraw/zinc/78/74/71/568787471.db2.gz KDFIXVKLRIYNPM-UHFFFAOYSA-N 0 0 436.453 3.056 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000016003705 568862101 /nfs/dbraw/zinc/86/21/01/568862101.db2.gz QTYJFTYJINJOKB-JLHYYAGUSA-N 0 0 433.486 3.286 50 5 IGBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3Br)nn12 ZINC000026532220 568880120 /nfs/dbraw/zinc/88/01/20/568880120.db2.gz REMKKFMANFPQPG-NTEUORMPSA-N 0 0 429.255 3.036 50 5 IGBARN COC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000006289381 568882173 /nfs/dbraw/zinc/88/21/73/568882173.db2.gz ANDHTZGHLOGJHW-OQLLNIDSSA-N 0 0 445.409 3.000 50 5 IGBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC ZINC000016383954 568885908 /nfs/dbraw/zinc/88/59/08/568885908.db2.gz QMEZJDVPEZVIIP-UHFFFAOYSA-N 0 0 428.182 3.469 50 5 IGBARN O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000016393663 568887174 /nfs/dbraw/zinc/88/71/74/568887174.db2.gz XUJIJIUHESBGBI-UHFFFAOYSA-N 0 0 436.468 3.365 50 5 IGBARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000016394061 568887335 /nfs/dbraw/zinc/88/73/35/568887335.db2.gz ZQEHVZWUJZIIJA-UHFFFAOYSA-N 0 0 446.891 3.324 50 5 IGBARN CCOC(=O)c1sc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1C ZINC000001891909 568917814 /nfs/dbraw/zinc/91/78/14/568917814.db2.gz PQHMFLKEVPPODJ-UHFFFAOYSA-N 0 0 436.442 3.336 50 5 IGBARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000016694517 568938189 /nfs/dbraw/zinc/93/81/89/568938189.db2.gz UQKCJRASSVCVPU-UHFFFAOYSA-N 0 0 441.440 3.041 50 5 IGBARN CC(C)OC[C@@H](O)CN[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154868 568964672 /nfs/dbraw/zinc/96/46/72/568964672.db2.gz FXMPJPGOYSKVGZ-PMACEKPBSA-N 0 0 426.473 3.304 50 5 IGBARN CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254427 568984684 /nfs/dbraw/zinc/98/46/84/568984684.db2.gz DHUKOXIVLDGWQB-UTKZUKDTSA-N 0 0 430.549 3.074 50 5 IGBARN CCn1c(C)cc(O)c(C(c2ccccc2[N+](=O)[O-])c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217752 569153371 /nfs/dbraw/zinc/15/33/71/569153371.db2.gz SIQOPSRALDOCMY-UHFFFAOYSA-N 0 0 439.468 3.166 50 5 IGBARN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000089878706 569166572 /nfs/dbraw/zinc/16/65/72/569166572.db2.gz BEJMRVCRWQIJRP-UHFFFAOYSA-N 0 0 446.507 3.212 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(OCc2cccc(Cl)c2)c1=O ZINC000016943803 569166715 /nfs/dbraw/zinc/16/67/15/569166715.db2.gz CNYAQBFHNMVOTD-UHFFFAOYSA-N 0 0 429.816 3.300 50 5 IGBARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000037426022 569195727 /nfs/dbraw/zinc/19/57/27/569195727.db2.gz CCZRENUJMFGKFW-AWEZNQCLSA-N 0 0 431.518 3.419 50 5 IGBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002225458 569204422 /nfs/dbraw/zinc/20/44/22/569204422.db2.gz GQGAGOBYWUTPNY-GFCCVEGCSA-N 0 0 433.467 3.290 50 5 IGBARN COCCNc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000253396952 569264672 /nfs/dbraw/zinc/26/46/72/569264672.db2.gz OPPXWECBBJJOQV-OAQYLSRUSA-N 0 0 433.892 3.438 50 5 IGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000017986599 569283417 /nfs/dbraw/zinc/28/34/17/569283417.db2.gz LIVYOMBEOOPSOS-IRXDYDNUSA-N 0 0 434.404 3.090 50 5 IGBARN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000017989034 569283539 /nfs/dbraw/zinc/28/35/39/569283539.db2.gz NJITUHXOJOAPTQ-IAGOWNOFSA-N 0 0 434.404 3.090 50 5 IGBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(CCCO)nc2N1 ZINC000011859441 569303010 /nfs/dbraw/zinc/30/30/10/569303010.db2.gz HSGUDEFTHLADJA-HXUWFJFHSA-N 0 0 434.456 3.039 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012977274 569305519 /nfs/dbraw/zinc/30/55/19/569305519.db2.gz RVLPAUGCHUOBKO-UHFFFAOYSA-N 0 0 432.527 3.019 50 5 IGBARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000013075977 569309188 /nfs/dbraw/zinc/30/91/88/569309188.db2.gz GZCQIYIVCKJLCH-FOSCPWQOSA-N 0 0 428.363 3.491 50 5 IGBARN O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000019337474 569318469 /nfs/dbraw/zinc/31/84/69/569318469.db2.gz NPXPKAZHLVPKBQ-JOCHJYFZSA-N 0 0 430.464 3.202 50 5 IGBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC000095454645 569368421 /nfs/dbraw/zinc/36/84/21/569368421.db2.gz QODOQGTWTJSVRV-ZDUSSCGKSA-N 0 0 447.467 3.411 50 5 IGBARN Cc1nnc(SCc2ccccc2C(=O)N2CCOCC2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000096290937 569390991 /nfs/dbraw/zinc/39/09/91/569390991.db2.gz AKLZZINNEKTVMF-UHFFFAOYSA-N 0 0 439.497 3.249 50 5 IGBARN CCc1nc(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096317589 569393486 /nfs/dbraw/zinc/39/34/86/569393486.db2.gz UIOJZBOZFRPITO-UHFFFAOYSA-N 0 0 435.528 3.474 50 5 IGBARN O=C1[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCN1c1ccccc1F ZINC000225550582 569404344 /nfs/dbraw/zinc/40/43/44/569404344.db2.gz PTDDLMNGJPQCCY-GFCCVEGCSA-N 0 0 448.259 3.125 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000028173539 569408550 /nfs/dbraw/zinc/40/85/50/569408550.db2.gz SOVRVGADRHXZKV-QHCPKHFHSA-N 0 0 437.452 3.273 50 5 IGBARN CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000002835678 569423110 /nfs/dbraw/zinc/42/31/10/569423110.db2.gz SKKDXVMEPGZPRU-UHFFFAOYSA-N 0 0 426.458 3.080 50 5 IGBARN COCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000002834719 569423140 /nfs/dbraw/zinc/42/31/40/569423140.db2.gz OYVNUDWBVZUXSH-HKWRFOASSA-N 0 0 435.436 3.388 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O ZINC000002871402 569423743 /nfs/dbraw/zinc/42/37/43/569423743.db2.gz NEZXWLRTQCYLCN-UHFFFAOYSA-N 0 0 447.391 3.027 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc([N+](=O)[O-])cc1 ZINC000003008977 569435089 /nfs/dbraw/zinc/43/50/89/569435089.db2.gz CCEHVUYVCHCWGX-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)NCc1ccccc1Cl ZINC000057463474 569435457 /nfs/dbraw/zinc/43/54/57/569435457.db2.gz OJGZQFGYNLQAGL-UHFFFAOYSA-N 0 0 439.903 3.235 50 5 IGBARN COc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057509382 569438353 /nfs/dbraw/zinc/43/83/53/569438353.db2.gz XGCVZLZPAHATEZ-QGZVFWFLSA-N 0 0 449.511 3.151 50 5 IGBARN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000003102027 569440124 /nfs/dbraw/zinc/44/01/24/569440124.db2.gz MWPLFTBQANKSQE-FQEVSTJZSA-N 0 0 425.441 3.325 50 5 IGBARN O=C(NCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003146352 569440827 /nfs/dbraw/zinc/44/08/27/569440827.db2.gz OWOMRRAKHPIOKH-UHFFFAOYSA-N 0 0 434.408 3.363 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1-c1cc(C)ccc1OC ZINC000003491313 569452552 /nfs/dbraw/zinc/45/25/52/569452552.db2.gz GCXYMZVAWTYQSC-LBPRGKRZSA-N 0 0 444.473 3.015 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000003568990 569454173 /nfs/dbraw/zinc/45/41/73/569454173.db2.gz ULIJWRDYOSYSRQ-FQEVSTJZSA-N 0 0 428.422 3.134 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000058450238 569454828 /nfs/dbraw/zinc/45/48/28/569454828.db2.gz XWCZJZCYBPEEKC-UHFFFAOYSA-N 0 0 444.557 3.092 50 5 IGBARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000004122620 569459970 /nfs/dbraw/zinc/45/99/70/569459970.db2.gz NKTMZWKIVOLCPC-UHFFFAOYSA-N 0 0 437.500 3.116 50 5 IGBARN COc1cccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1 ZINC000008660775 569469651 /nfs/dbraw/zinc/46/96/51/569469651.db2.gz VMPFVFMNGIIDLS-OALUTQOASA-N 0 0 449.444 3.418 50 5 IGBARN CN1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1 ZINC000008793189 569476424 /nfs/dbraw/zinc/47/64/24/569476424.db2.gz OTOWVGMVXJFRJT-UHFFFAOYSA-N 0 0 433.489 3.347 50 5 IGBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 ZINC000040154873 569493844 /nfs/dbraw/zinc/49/38/44/569493844.db2.gz HMFMSTCEJLRACG-UHFFFAOYSA-N 0 0 429.440 3.166 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(NCCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000009112678 569502444 /nfs/dbraw/zinc/50/24/44/569502444.db2.gz VJFPFMKSMODGIA-UHFFFAOYSA-N 0 0 429.502 3.122 50 5 IGBARN CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000009224066 569513114 /nfs/dbraw/zinc/51/31/14/569513114.db2.gz QBYBVCRQUZXHPT-MRXNPFEDSA-N 0 0 447.904 3.037 50 5 IGBARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000009244991 569515205 /nfs/dbraw/zinc/51/52/05/569515205.db2.gz AYCHEKJEPMBMIG-UHFFFAOYSA-N 0 0 437.279 3.143 50 5 IGBARN CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)o1 ZINC000009285793 569519176 /nfs/dbraw/zinc/51/91/76/569519176.db2.gz BMRSHTZYCZPNJZ-UHFFFAOYSA-N 0 0 443.456 3.244 50 5 IGBARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009494232 569540893 /nfs/dbraw/zinc/54/08/93/569540893.db2.gz ZCBGPXIKBFCQGS-UHFFFAOYSA-N 0 0 434.865 3.353 50 5 IGBARN COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccco2)cc1 ZINC000009569353 569547577 /nfs/dbraw/zinc/54/75/77/569547577.db2.gz IPUQWOGMOJYUOX-FQEVSTJZSA-N 0 0 444.465 3.450 50 5 IGBARN O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009934606 569573742 /nfs/dbraw/zinc/57/37/42/569573742.db2.gz FGIQTMVZORIGII-UHFFFAOYSA-N 0 0 434.699 3.401 50 5 IGBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000009948191 569574164 /nfs/dbraw/zinc/57/41/64/569574164.db2.gz QPXWPAPNQYGTFO-CQSZACIVSA-N 0 0 425.441 3.035 50 5 IGBARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009989134 569576886 /nfs/dbraw/zinc/57/68/86/569576886.db2.gz LXNZOXXKZBVVNT-UHFFFAOYSA-N 0 0 431.392 3.052 50 5 IGBARN O=C(NC(=S)Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009934664 569583555 /nfs/dbraw/zinc/58/35/55/569583555.db2.gz RYQVZFOCGODGDS-UHFFFAOYSA-N 0 0 443.510 3.168 50 5 IGBARN CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3cccc4cccnc43)c2)CC1 ZINC000008863779 132296572 /nfs/dbraw/zinc/29/65/72/132296572.db2.gz SRKZIYSEAQIBBT-UHFFFAOYSA-N 0 0 444.538 3.376 50 5 IGBARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009288323 132312753 /nfs/dbraw/zinc/31/27/53/132312753.db2.gz IROBTKQKJGKDHZ-AWEZNQCLSA-N 0 0 434.290 3.473 50 5 IGBARN Cc1cc(Br)ccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009290498 132312759 /nfs/dbraw/zinc/31/27/59/132312759.db2.gz AMIGQKRGKRNMIF-UHFFFAOYSA-N 0 0 434.290 3.393 50 5 IGBARN Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)CC2)c1C ZINC000009580956 132322237 /nfs/dbraw/zinc/32/22/37/132322237.db2.gz UFEZIKFPPNQIFY-UHFFFAOYSA-N 0 0 447.495 3.028 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(CCOc3nonc3-c3ccccc3)CC2)c2ncccc12 ZINC000013896726 132355372 /nfs/dbraw/zinc/35/53/72/132355372.db2.gz KLFVOMYALSMFCK-UHFFFAOYSA-N 0 0 446.467 3.394 50 5 IGBARN CC(=O)N1N=C(c2cc3c(cc2[N+](=O)[O-])OCO3)O[C@@H]1c1cccc(Br)c1 ZINC000021092178 519638530 /nfs/dbraw/zinc/63/85/30/519638530.db2.gz TZXHYVNUUSCBPW-QGZVFWFLSA-N 0 0 434.202 3.325 50 5 IGBARN CCOC(=O)CN(Cc1ccccc1)c1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] ZINC000020740710 520768160 /nfs/dbraw/zinc/76/81/60/520768160.db2.gz OLVIEAZMEIVEBI-UHFFFAOYSA-N 0 0 425.441 3.208 50 5 IGBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cc(Cl)ccc3OC)C[C@H]12 ZINC000035870377 521744896 /nfs/dbraw/zinc/74/48/96/521744896.db2.gz HEJUSBYOZKGKKY-YLJYHZDGSA-N 0 0 444.919 3.260 50 5 IGBARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2CN(CCCOC)C1=O ZINC000035883816 523607463 /nfs/dbraw/zinc/60/74/63/523607463.db2.gz FWJXUOXOBWDXTI-IBGZPJMESA-N 0 0 427.457 3.383 50 5 IGBARN COc1ccccc1CNC(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000020664344 524481602 /nfs/dbraw/zinc/48/16/02/524481602.db2.gz LOFLOOCNMCVXTM-UHFFFAOYSA-N 0 0 447.495 3.255 50 5 IGBARN Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])n1 ZINC000015167837 524525930 /nfs/dbraw/zinc/52/59/30/524525930.db2.gz PTWXFSNIMWTGEV-UHFFFAOYSA-N 0 0 435.550 3.331 50 5 IGBARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2n1 ZINC000017136136 525012327 /nfs/dbraw/zinc/01/23/27/525012327.db2.gz ZSFBKJJGMKKDNQ-UHFFFAOYSA-N 0 0 443.510 3.195 50 5 IGBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2ccnc2)nc1 ZINC000012544557 526339652 /nfs/dbraw/zinc/33/96/52/526339652.db2.gz JUZQAQOWYVGJEN-UHFFFAOYSA-N 0 0 449.393 3.106 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024236406 527545390 /nfs/dbraw/zinc/54/53/90/527545390.db2.gz JSWGFYVAZXDBJE-FQEVSTJZSA-N 0 0 434.456 3.102 50 5 IGBARN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC000009971744 535522064 /nfs/dbraw/zinc/52/20/64/535522064.db2.gz WIVQLCSMZTVGNP-UHFFFAOYSA-N 0 0 430.939 3.252 50 5 IGBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccc(Br)c1 ZINC000002324220 556076769 /nfs/dbraw/zinc/07/67/69/556076769.db2.gz BQGBEUQRMZVZEW-UHFFFAOYSA-N 0 0 440.297 3.324 50 5 IGBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000004510959 556368201 /nfs/dbraw/zinc/36/82/01/556368201.db2.gz RHLNRSGMTBMLNN-LQDNNDEMSA-N 0 0 426.428 3.138 50 5 IGBARN O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000229901137 556406671 /nfs/dbraw/zinc/40/66/71/556406671.db2.gz ZIPJFMVKSGJOAC-UWJYYQICSA-N 0 0 440.843 3.043 50 5 IGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032842222 556427619 /nfs/dbraw/zinc/42/76/19/556427619.db2.gz PKBXVPORQHCTQL-CQSZACIVSA-N 0 0 445.859 3.031 50 5 IGBARN CCOC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004558631 556456946 /nfs/dbraw/zinc/45/69/46/556456946.db2.gz XMZQHDHKLBJNBU-SNVBAGLBSA-N 0 0 445.712 3.332 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@](=O)C3)cc1 ZINC000011726342 556648865 /nfs/dbraw/zinc/64/88/65/556648865.db2.gz PAHRZNKFQXBLNQ-SSEXGKCCSA-N 0 0 426.454 3.112 50 5 IGBARN Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000013843099 556745257 /nfs/dbraw/zinc/74/52/57/556745257.db2.gz ZLCINCOQEPIEIX-UHFFFAOYSA-N 0 0 433.486 3.142 50 5 IGBARN COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000060379951 556808130 /nfs/dbraw/zinc/80/81/30/556808130.db2.gz SXWGCZRXEYXHOF-UHFFFAOYSA-N 0 0 434.518 3.302 50 5 IGBARN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000097105192 556987862 /nfs/dbraw/zinc/98/78/62/556987862.db2.gz YKXVUBBMZQFWGQ-UHFFFAOYSA-N 0 0 441.318 3.348 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000097141282 556992788 /nfs/dbraw/zinc/99/27/88/556992788.db2.gz PEQXBINKWMIGNO-LJQANCHMSA-N 0 0 442.501 3.089 50 5 IGBARN NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153822 557028887 /nfs/dbraw/zinc/02/88/87/557028887.db2.gz RCYNGALOWDQSMX-UHFFFAOYSA-N 0 0 426.454 3.159 50 5 IGBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000023184820 557044201 /nfs/dbraw/zinc/04/42/01/557044201.db2.gz GLNVANUOBQWAAI-UHFFFAOYSA-N 0 0 429.454 3.004 50 5 IGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1N=NC(=S)N1Cc1ccccc1 ZINC000010903275 557090606 /nfs/dbraw/zinc/09/06/06/557090606.db2.gz FNMSRTHONOCEIG-UHFFFAOYSA-N 0 0 431.905 3.378 50 5 IGBARN Cc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000000653579 557126005 /nfs/dbraw/zinc/12/60/05/557126005.db2.gz ZZZXJIMGMZNNAV-GOSISDBHSA-N 0 0 445.325 3.496 50 5 IGBARN COC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100876533 557195123 /nfs/dbraw/zinc/19/51/23/557195123.db2.gz YQXXFGDUOIJILX-ZZEZOPTASA-N 0 0 428.451 3.135 50 5 IGBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1coc2ccccc2c1=O ZINC000100872701 557195139 /nfs/dbraw/zinc/19/51/39/557195139.db2.gz LKUUMGGQCXKFQS-MRCUWXFGSA-N 0 0 425.422 3.105 50 5 IGBARN COc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024900949 557205224 /nfs/dbraw/zinc/20/52/24/557205224.db2.gz GEEYSOOIGAJDEX-HNNXBMFYSA-N 0 0 427.457 3.390 50 5 IGBARN O=C(CN1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)Nc1ccccc1 ZINC000011586628 557205218 /nfs/dbraw/zinc/20/52/18/557205218.db2.gz ZCEJHULJABWOBL-UHFFFAOYSA-N 0 0 437.500 3.002 50 5 IGBARN CN1C(=O)c2ccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)cc2C1=O ZINC000000827822 557266375 /nfs/dbraw/zinc/26/63/75/557266375.db2.gz OCGZVCYLHBTESQ-UHFFFAOYSA-N 0 0 443.371 3.414 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1Cc1ccco1)c2=O ZINC000100627257 557266438 /nfs/dbraw/zinc/26/64/38/557266438.db2.gz IYSCNPPXHGKQKL-UHFFFAOYSA-N 0 0 439.475 3.008 50 5 IGBARN Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c2nc2ccccn2c3=O)cc1 ZINC000100631377 557267044 /nfs/dbraw/zinc/26/70/44/557267044.db2.gz MWQOUSHKYPZGHQ-UHFFFAOYSA-N 0 0 439.475 3.008 50 5 aggregator IGBARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000084510402 557308922 /nfs/dbraw/zinc/30/89/22/557308922.db2.gz ITANFWUKEAHAIW-JOCHJYFZSA-N 0 0 432.521 3.283 50 5 IGBARN O=C(NC1CCCCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12 ZINC000104920410 557465782 /nfs/dbraw/zinc/46/57/82/557465782.db2.gz TVLGBKIXAHXMPD-IFMALSPDSA-N 0 0 435.528 3.306 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ncccc12 ZINC000024987787 557806720 /nfs/dbraw/zinc/80/67/20/557806720.db2.gz AUUGYNPQMMBCMN-UHFFFAOYSA-N 0 0 438.509 3.143 50 5 IGBARN COc1ccc(CNC2=NC(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)S2)cc1 ZINC000009353607 562969532 /nfs/dbraw/zinc/96/95/32/562969532.db2.gz HPMSEWWBWDKPEY-KRWDZBQOSA-N 0 0 428.470 3.028 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000018967254 568629808 /nfs/dbraw/zinc/62/98/08/568629808.db2.gz JGWCFZZNQKVVTR-QHCPKHFHSA-N 0 0 437.452 3.273 50 5 IGBARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000025326877 568653533 /nfs/dbraw/zinc/65/35/33/568653533.db2.gz LROSBAXGESXZGZ-UHFFFAOYSA-N 0 0 436.512 3.364 50 5 IGBARN COC(=O)c1cc(C(=O)Nc2ccc(I)cc2)cc([N+](=O)[O-])c1 ZINC000001097971 568658337 /nfs/dbraw/zinc/65/83/37/568658337.db2.gz PZKBGJRZLMFWOR-UHFFFAOYSA-N 0 0 426.166 3.238 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000001111009 568659244 /nfs/dbraw/zinc/65/92/44/568659244.db2.gz PSEVAWHYHHXZRG-UHFFFAOYSA-N 0 0 447.391 3.027 50 5 IGBARN Cc1cc(C(=O)NC(=S)Nc2ccc(I)cn2)ccc1[N+](=O)[O-] ZINC000001134376 568661712 /nfs/dbraw/zinc/66/17/12/568661712.db2.gz ZTYGVKHZBDEWHY-UHFFFAOYSA-N 0 0 442.238 3.030 50 5 IGBARN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001165949 568664642 /nfs/dbraw/zinc/66/46/42/568664642.db2.gz HPONBMWMFHLIED-UHFFFAOYSA-N 0 0 436.873 3.484 50 5 IGBARN COC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O ZINC000034888023 568738697 /nfs/dbraw/zinc/73/86/97/568738697.db2.gz NTCOMBXIXKKWIG-NVNXTCNLSA-N 0 0 445.409 3.000 50 5 IGBARN COc1ccc(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)N(C)C2=S)c([N+](=O)[O-])c1 ZINC000034915827 568739455 /nfs/dbraw/zinc/73/94/55/568739455.db2.gz DIOVBEKKHBKANT-YBFXNURJSA-N 0 0 435.465 3.394 50 5 IGBARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015769522 568822161 /nfs/dbraw/zinc/82/21/61/568822161.db2.gz NGEWJHOYQVLWAB-OAHLLOKOSA-N 0 0 446.481 3.198 50 5 IGBARN CCOCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100628080 568838800 /nfs/dbraw/zinc/83/88/00/568838800.db2.gz XYUHKFWLAFOTBO-QGZVFWFLSA-N 0 0 445.523 3.046 50 5 IGBARN CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000100679216 568839013 /nfs/dbraw/zinc/83/90/13/568839013.db2.gz NDCKAWUJSHMJGQ-UHFFFAOYSA-N 0 0 442.928 3.333 50 5 IGBARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1C=C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000037341870 568884755 /nfs/dbraw/zinc/88/47/55/568884755.db2.gz AUGHPDHYZTXLHK-AGKSTNPPSA-N 0 0 444.440 3.226 50 5 IGBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000036332852 569076739 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0 0 448.932 3.484 50 5 IGBARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013059949 569308530 /nfs/dbraw/zinc/30/85/30/569308530.db2.gz LPHABZBFYHKXQQ-UHFFFAOYSA-N 0 0 448.457 3.320 50 5 IGBARN Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)ncn1 ZINC000079045583 569323041 /nfs/dbraw/zinc/32/30/41/569323041.db2.gz SZZASDKSBFFPMW-UHFFFAOYSA-N 0 0 438.532 3.328 50 5 IGBARN Cc1cc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(C)cc1CN1CCOCC1 ZINC000019618810 569323193 /nfs/dbraw/zinc/32/31/93/569323193.db2.gz MRFUVZUTZHLIKL-UHFFFAOYSA-N 0 0 438.436 3.369 50 5 IGBARN COc1cc(OC)cc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000020151569 569336468 /nfs/dbraw/zinc/33/64/68/569336468.db2.gz OUCIJJCKVSRWQR-UHFFFAOYSA-N 0 0 439.449 3.188 50 5 IGBARN COC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1 ZINC000020220927 569356681 /nfs/dbraw/zinc/35/66/81/569356681.db2.gz UESGYGQUZFBUFR-UHFFFAOYSA-N 0 0 446.423 3.069 50 5 IGBARN O=C(NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O)c1ccccc1 ZINC000095470765 569371718 /nfs/dbraw/zinc/37/17/18/569371718.db2.gz NOJMNPITOWIZHW-UHFFFAOYSA-N 0 0 440.209 3.452 50 5 IGBARN CC(=O)NCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC000096004672 569379322 /nfs/dbraw/zinc/37/93/22/569379322.db2.gz HGDVNVWKMPEULR-CQSZACIVSA-N 0 0 445.472 3.163 50 5 IGBARN CC(=O)NCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC000096004671 569379332 /nfs/dbraw/zinc/37/93/32/569379332.db2.gz HGDVNVWKMPEULR-AWEZNQCLSA-N 0 0 445.472 3.163 50 5 IGBARN COc1cc(-c2noc([C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000096277984 569388984 /nfs/dbraw/zinc/38/89/84/569388984.db2.gz QVTYXXYGTYVSTQ-LLVKDONJSA-N 0 0 428.401 3.162 50 5 IGBARN CCOC(=O)c1sc2ncn3nc([C@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C ZINC000002790324 569421743 /nfs/dbraw/zinc/42/17/43/569421743.db2.gz CKKCCWNTECEYOB-NSHDSACASA-N 0 0 429.462 3.155 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS(=O)(=O)C3)cc1 ZINC000003008555 569435078 /nfs/dbraw/zinc/43/50/78/569435078.db2.gz VUZBAETZUCQZPB-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccccc1Cl ZINC000003009113 569435269 /nfs/dbraw/zinc/43/52/69/569435269.db2.gz AOLJFWDTLHLUDP-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057574376 569439955 /nfs/dbraw/zinc/43/99/55/569439955.db2.gz HHRDNWDMHRBPSU-GOSISDBHSA-N 0 0 433.512 3.485 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(I)c1 ZINC000003292546 569444488 /nfs/dbraw/zinc/44/44/88/569444488.db2.gz GNZOARVIYVDYAT-UHFFFAOYSA-N 0 0 441.177 3.423 50 5 IGBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003301107 569445017 /nfs/dbraw/zinc/44/50/17/569445017.db2.gz ZCBRHQOMOSQAQM-UHFFFAOYSA-N 0 0 425.488 3.092 50 5 IGBARN Cc1ccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000003371004 569448506 /nfs/dbraw/zinc/44/85/06/569448506.db2.gz UYVRQWNIQUTMST-IBGZPJMESA-N 0 0 447.875 3.493 50 5 IGBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 ZINC000030996690 569452119 /nfs/dbraw/zinc/45/21/19/569452119.db2.gz PAFSETUPOXTVHP-ZDUSSCGKSA-N 0 0 440.378 3.165 50 5 IGBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 ZINC000030996687 569452200 /nfs/dbraw/zinc/45/22/00/569452200.db2.gz PAFSETUPOXTVHP-CYBMUJFWSA-N 0 0 440.378 3.165 50 5 IGBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000003486607 569452387 /nfs/dbraw/zinc/45/23/87/569452387.db2.gz PQYCXAFZGOLWBX-UHFFFAOYSA-N 0 0 445.501 3.038 50 5 IGBARN COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000008400787 569463171 /nfs/dbraw/zinc/46/31/71/569463171.db2.gz ANDHTZGHLOGJHW-DHDCSXOGSA-N 0 0 445.409 3.000 50 5 IGBARN Cc1ccc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000008881097 569482879 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O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000019171778 568782354 /nfs/dbraw/zinc/78/23/54/568782354.db2.gz BQUOUFFAFFJOTE-FSSWDIPSSA-N 0 0 428.448 3.215 50 5 IGBARN O=C(CF)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl ZINC000025808977 568782616 /nfs/dbraw/zinc/78/26/16/568782616.db2.gz SOMSHZVNIDWWOJ-SECBINFHSA-N 0 0 438.095 3.317 50 5 IGBARN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000015799233 568839337 /nfs/dbraw/zinc/83/93/37/568839337.db2.gz MFLXMKMUVAZXRP-UHFFFAOYSA-N 0 0 437.374 3.347 50 5 IGBARN COc1cc(C(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])cc1OC ZINC000001189976 568880915 /nfs/dbraw/zinc/88/09/15/568880915.db2.gz CRZCBELGJSFVPB-UHFFFAOYSA-N 0 0 428.182 3.469 50 5 IGBARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000016483506 568909833 /nfs/dbraw/zinc/90/98/33/568909833.db2.gz HNJSJCSBLHSXIO-NRFANRHFSA-N 0 0 432.484 3.195 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000035818072 568927478 /nfs/dbraw/zinc/92/74/78/568927478.db2.gz SCYWLVMPIXZQMO-UHFFFAOYSA-N 0 0 428.807 3.336 50 5 IGBARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138563547 569000749 /nfs/dbraw/zinc/00/07/49/569000749.db2.gz QKJYOWDIFZIZCD-IPMKNSEASA-N 0 0 426.860 3.092 50 5 IGBARN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]34)cc2NC1=O ZINC000036385418 569092998 /nfs/dbraw/zinc/09/29/98/569092998.db2.gz PUVFPCQBSMPODY-WSXQUGQNSA-N 0 0 436.468 3.484 50 5 IGBARN COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21 ZINC000036619388 569124672 /nfs/dbraw/zinc/12/46/72/569124672.db2.gz DRFJCIXQDHMSMS-UHFFFAOYSA-N 0 0 438.425 3.108 50 5 IGBARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014127123 569157837 /nfs/dbraw/zinc/15/78/37/569157837.db2.gz NVZYKGBMSLJJMZ-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN COc1ccc(-c2csc(NC(=O)COc3ccc(C)nc3[N+](=O)[O-])n2)c(OC)c1 ZINC000027125832 569178924 /nfs/dbraw/zinc/17/89/24/569178924.db2.gz YBMOCWFWYAJHFJ-UHFFFAOYSA-N 0 0 430.442 3.456 50 5 IGBARN COCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000002252104 569214074 /nfs/dbraw/zinc/21/40/74/569214074.db2.gz JCYSWSWROZLKTF-UHFFFAOYSA-N 0 0 448.435 3.110 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000027528477 569263626 /nfs/dbraw/zinc/26/36/26/569263626.db2.gz SUKDBOLEVYOVQC-VUUXHMSQSA-N 0 0 440.455 3.446 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018156096 569285079 /nfs/dbraw/zinc/28/50/79/569285079.db2.gz YQJUGTBAHDYTNL-HDICACEKSA-N 0 0 425.416 3.467 50 5 IGBARN O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009934605 569298592 /nfs/dbraw/zinc/29/85/92/569298592.db2.gz LKDXJRMYTCXMNN-UHFFFAOYSA-N 0 0 434.699 3.401 50 5 IGBARN COc1ccc(C(=O)N[C@@H](CCSC)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009970006 569298740 /nfs/dbraw/zinc/29/87/40/569298740.db2.gz GHZBFSCIHZIJBY-KRWDZBQOSA-N 0 0 448.497 3.207 50 5 IGBARN COCCNc1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000225438694 569300588 /nfs/dbraw/zinc/30/05/88/569300588.db2.gz RICVYSREOYJMIP-HNNXBMFYSA-N 0 0 443.378 3.015 50 5 IGBARN COC(=O)c1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc([N+](=O)[O-])c1 ZINC000012943639 569305115 /nfs/dbraw/zinc/30/51/15/569305115.db2.gz XSLPRBRMTMUAGG-UHFFFAOYSA-N 0 0 442.453 3.080 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012980423 569305697 /nfs/dbraw/zinc/30/56/97/569305697.db2.gz ZKDWPSYCGANDQL-MRXNPFEDSA-N 0 0 434.470 3.291 50 5 IGBARN Cc1cc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)ccc1Oc1cccnc1 ZINC000078822307 569319492 /nfs/dbraw/zinc/31/94/92/569319492.db2.gz GWFTYRMSFMUWEM-UHFFFAOYSA-N 0 0 442.453 3.299 50 5 IGBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(C)on1 ZINC000020068449 569333110 /nfs/dbraw/zinc/33/31/10/569333110.db2.gz JNPXQJMPXSZRSD-HNNXBMFYSA-N 0 0 427.866 3.140 50 5 IGBARN COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c(OC)c1 ZINC000020130959 569335340 /nfs/dbraw/zinc/33/53/40/569335340.db2.gz ZAAOYQDKRMBMJL-UHFFFAOYSA-N 0 0 433.420 3.126 50 5 IGBARN COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)o2)cc1 ZINC000020320927 569360235 /nfs/dbraw/zinc/36/02/35/569360235.db2.gz BTAYVUGDVDSQKU-UHFFFAOYSA-N 0 0 444.469 3.222 50 5 IGBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000095402680 569363979 /nfs/dbraw/zinc/36/39/79/569363979.db2.gz ZGAYCRXIDYOONE-QGZVFWFLSA-N 0 0 425.363 3.347 50 5 IGBARN CNS(=O)(=O)c1ccc(N(Cc2cccnc2)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000095443176 569366893 /nfs/dbraw/zinc/36/68/93/569366893.db2.gz CLAGKABFUATTQG-UHFFFAOYSA-N 0 0 426.498 3.413 50 5 IGBARN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000095455458 569368500 /nfs/dbraw/zinc/36/85/00/569368500.db2.gz CMBZFPMMJIRVJI-UHFFFAOYSA-N 0 0 428.464 3.056 50 5 IGBARN Cc1ccc(C2=NC(NC(=O)c3ccccc3[N+](=O)[O-])=S=C2NC(=O)c2ccco2)cc1 ZINC000334158871 569402032 /nfs/dbraw/zinc/40/20/32/569402032.db2.gz QSUGENKVKUWBKA-UHFFFAOYSA-N 0 0 448.460 3.109 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCO[C@@H]1CCCCO1 ZINC000225534694 569403683 /nfs/dbraw/zinc/40/36/83/569403683.db2.gz PZJOMQSQYPLCSP-LJQANCHMSA-N 0 0 427.523 3.115 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCO[C@@H]1CCCCO1 ZINC000225843186 569409344 /nfs/dbraw/zinc/40/93/44/569409344.db2.gz JIZPSMMJTLAECG-MSOLQXFVSA-N 0 0 442.896 3.479 50 5 IGBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 ZINC000002761123 569420523 /nfs/dbraw/zinc/42/05/23/569420523.db2.gz PVFDMXCZMSAFSC-UHFFFAOYSA-N 0 0 432.780 3.487 50 5 IGBARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002786047 569421287 /nfs/dbraw/zinc/42/12/87/569421287.db2.gz BKEJERDXTIPXIH-FPOVZHCZSA-N 0 0 447.451 3.018 50 5 IGBARN CCOc1ccc(Cn2cc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cn2)cc1OCC ZINC000002785096 569421309 /nfs/dbraw/zinc/42/13/09/569421309.db2.gz JUYJKHVITPWDDY-UHFFFAOYSA-N 0 0 428.449 3.106 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C ZINC000002787494 569421388 /nfs/dbraw/zinc/42/13/88/569421388.db2.gz GQCIVSDKGNHSAU-UHFFFAOYSA-N 0 0 436.394 3.237 50 5 IGBARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002880165 569423980 /nfs/dbraw/zinc/42/39/80/569423980.db2.gz YWRSCHDRGYISTG-UHFFFAOYSA-N 0 0 439.497 3.420 50 5 IGBARN CC(=O)N1CCC[C@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000029895797 569438097 /nfs/dbraw/zinc/43/80/97/569438097.db2.gz RJRHOVKOSFUZDG-RXVVDRJESA-N 0 0 439.468 3.385 50 5 IGBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000003129931 569440556 /nfs/dbraw/zinc/44/05/56/569440556.db2.gz JSFLSRVBSMUEAO-UHFFFAOYSA-N 0 0 446.375 3.404 50 5 IGBARN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000058007970 569444751 /nfs/dbraw/zinc/44/47/51/569444751.db2.gz AQLBXXOALDJQFX-UHFFFAOYSA-N 0 0 433.486 3.095 50 5 IGBARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003366895 569448199 /nfs/dbraw/zinc/44/81/99/569448199.db2.gz PIZBWMHNDZVZAM-LLVKDONJSA-N 0 0 435.820 3.432 50 5 IGBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000003596258 569454700 /nfs/dbraw/zinc/45/47/00/569454700.db2.gz XBVSNRIBRYQPCW-FQEVSTJZSA-N 0 0 430.848 3.434 50 5 IGBARN COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c([N+](=O)[O-])c1 ZINC000008717315 569470967 /nfs/dbraw/zinc/47/09/67/569470967.db2.gz BUNOTFBTJIOOJJ-LLVKDONJSA-N 0 0 428.470 3.138 50 5 IGBARN O=C(NCc1ccc(Cn2cccn2)cc1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000008724439 569471982 /nfs/dbraw/zinc/47/19/82/569471982.db2.gz TWXWTAGGBOUPHD-UHFFFAOYSA-N 0 0 435.469 3.039 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000008769517 569475042 /nfs/dbraw/zinc/47/50/42/569475042.db2.gz DAWPYPUHFFRYQU-UHFFFAOYSA-N 0 0 433.193 3.295 50 5 IGBARN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nnnn3C)cc2s1 ZINC000008850847 569479378 /nfs/dbraw/zinc/47/93/78/569479378.db2.gz XPRAIWXXUHJGCO-UHFFFAOYSA-N 0 0 427.471 3.440 50 5 IGBARN CCOC(=O)C1=C(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccco1 ZINC000039992539 569482412 /nfs/dbraw/zinc/48/24/12/569482412.db2.gz FKANSJXSQHVHSN-DJJJIMSYSA-N 0 0 428.445 3.052 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)NCCSc3ccc(Cl)cc3)CC2)cn1 ZINC000040073257 569486118 /nfs/dbraw/zinc/48/61/18/569486118.db2.gz SVEQYYAPDSRXMV-UHFFFAOYSA-N 0 0 437.978 3.432 50 5 IGBARN C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 ZINC000245245427 569501200 /nfs/dbraw/zinc/50/12/00/569501200.db2.gz KVTSYGFNPCSKHY-LMMKCTJWSA-N 0 0 436.512 3.252 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325262 569503301 /nfs/dbraw/zinc/50/33/01/569503301.db2.gz DNKZQXNZKRSEHO-WNHYQHMGSA-N 0 0 434.452 3.230 50 5 IGBARN CC(=O)c1cccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000009119397 569503544 /nfs/dbraw/zinc/50/35/44/569503544.db2.gz KRZOCUYFHIQQPL-UHFFFAOYSA-N 0 0 439.346 3.410 50 5 IGBARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000009190652 569510568 /nfs/dbraw/zinc/51/05/68/569510568.db2.gz APVNSOFPMZANLO-DEOSSOPVSA-N 0 0 446.415 3.331 50 5 IGBARN O=C(C[NH+]1CCCCCC1)Nc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000069814456 569519792 /nfs/dbraw/zinc/51/97/92/569519792.db2.gz DQABIVYISUFUQC-UHFFFAOYSA-N 0 0 432.502 3.210 50 5 IGBARN CN(CCO)CCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000009461510 569537060 /nfs/dbraw/zinc/53/70/60/569537060.db2.gz YULUSXHOIOPQBI-UHFFFAOYSA-N 0 0 429.476 3.277 50 5 IGBARN COc1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000009493474 569540759 /nfs/dbraw/zinc/54/07/59/569540759.db2.gz JPESJMDAANQVQM-UHFFFAOYSA-N 0 0 442.468 3.250 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000009608695 569552220 /nfs/dbraw/zinc/55/22/20/569552220.db2.gz FACIBEASGGTPFZ-LJQANCHMSA-N 0 0 446.529 3.069 50 5 IGBARN CCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000009612697 569552902 /nfs/dbraw/zinc/55/29/02/569552902.db2.gz LCCOTIVSAKNSPH-SFHVURJKSA-N 0 0 425.506 3.185 50 5 IGBARN CN(Cc1ccccc1)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O ZINC000009763018 569566605 /nfs/dbraw/zinc/56/66/05/569566605.db2.gz KABZUTSYDRAZOM-FQEVSTJZSA-N 0 0 439.855 3.493 50 5 IGBARN COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000009767981 569566935 /nfs/dbraw/zinc/56/69/35/569566935.db2.gz UCXAODVJLWUSPO-UHFFFAOYSA-N 0 0 428.426 3.105 50 5 IGBARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000010185171 569578315 /nfs/dbraw/zinc/57/83/15/569578315.db2.gz LBOXBSLRLVSSHE-ZDUSSCGKSA-N 0 0 428.445 3.178 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187225 569578566 /nfs/dbraw/zinc/57/85/66/569578566.db2.gz BMEWGTXBLJLNDG-GFCCVEGCSA-N 0 0 445.906 3.110 50 5 IGBARN O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000008837903 132295677 /nfs/dbraw/zinc/29/56/77/132295677.db2.gz YJVVIRQVUAWISQ-LJQANCHMSA-N 0 0 428.464 3.287 50 5 IGBARN COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000008857496 132296474 /nfs/dbraw/zinc/29/64/74/132296474.db2.gz AIJYZFILQIOITP-UHFFFAOYSA-N 0 0 435.864 3.236 50 5 IGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@H]4CCCO4)c3)CC2)cc1 ZINC000009197243 132308242 /nfs/dbraw/zinc/30/82/42/132308242.db2.gz WISBTPVIQNFPNZ-HXUWFJFHSA-N 0 0 440.500 3.157 50 5 IGBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000009491181 132319270 /nfs/dbraw/zinc/31/92/70/132319270.db2.gz VNAAQOSEXKXELT-HNNXBMFYSA-N 0 0 446.529 3.334 50 5 IGBARN COc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000009934667 132332207 /nfs/dbraw/zinc/33/22/07/132332207.db2.gz AWSPMYBHKVRPKQ-UHFFFAOYSA-N 0 0 439.390 3.350 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 ZINC000012561526 519592404 /nfs/dbraw/zinc/59/24/04/519592404.db2.gz ZGWZZIMLRDWVFB-CYBMUJFWSA-N 0 0 432.427 3.033 50 5 IGBARN CC(=O)OCCNc1cc(Sc2nnc(-c3ccccc3)o2)c2nonc2c1[N+](=O)[O-] ZINC000020683512 519756198 /nfs/dbraw/zinc/75/61/98/519756198.db2.gz IXIPIICGMSKRIK-UHFFFAOYSA-N 0 0 442.413 3.307 50 5 IGBARN CCN(CC)C(=O)CN1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000012528069 520478334 /nfs/dbraw/zinc/47/83/34/520478334.db2.gz VQVSKCUTAMTHDN-UHFFFAOYSA-N 0 0 438.528 3.206 50 5 IGBARN CCOc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1OC ZINC000012797189 521261928 /nfs/dbraw/zinc/26/19/28/521261928.db2.gz VXNONHYTNZLXOA-FQEVSTJZSA-N 0 0 443.500 3.114 50 5 IGBARN CNS(=O)(=O)c1ccc(N[C@H](c2nccn2C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000012559121 522293196 /nfs/dbraw/zinc/29/31/96/522293196.db2.gz RYOMEVKCLANAPI-KRWDZBQOSA-N 0 0 435.893 3.091 50 5 IGBARN COc1cc([C@@H]2CC(=O)Oc3n[nH]c(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC ZINC000012418701 522927259 /nfs/dbraw/zinc/92/72/59/522927259.db2.gz WDSVUAIJWNILCV-AWEZNQCLSA-N 0 0 425.397 3.452 50 5 IGBARN COc1ccc(N(C)S(=O)(=O)c2cc3c(=O)nc4ccccn4c3cc2Cl)cc1 ZINC000012414104 524356089 /nfs/dbraw/zinc/35/60/89/524356089.db2.gz YIVCRPPUDVDOEH-UHFFFAOYSA-N 0 0 429.885 3.335 50 5 IGBARN COc1ccc([C@@H]2OC(c3cc(Cl)cc([N+](=O)[O-])c3OC(C)=O)=NN2C(C)=O)cc1 ZINC000021091983 525269291 /nfs/dbraw/zinc/26/92/91/525269291.db2.gz NQZALMNABKQSJP-IBGZPJMESA-N 0 0 433.804 3.421 50 5 IGBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012553950 525660806 /nfs/dbraw/zinc/66/08/06/525660806.db2.gz VWIGUHQRKQRSDX-AWEZNQCLSA-N 0 0 438.937 3.357 50 5 IGBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000012562776 525709872 /nfs/dbraw/zinc/70/98/72/525709872.db2.gz YORAATLHRVEQMG-CQSZACIVSA-N 0 0 438.937 3.357 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000012556324 525712004 /nfs/dbraw/zinc/71/20/04/525712004.db2.gz XPVBYUQOJJZDIP-CYBMUJFWSA-N 0 0 425.894 3.442 50 5 IGBARN C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022098353 525885816 /nfs/dbraw/zinc/88/58/16/525885816.db2.gz ILMRLCQIZDKMAJ-OAHLLOKOSA-N 0 0 440.456 3.409 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012924706 526077865 /nfs/dbraw/zinc/07/78/65/526077865.db2.gz SECPLUCXRQEHAO-UHFFFAOYSA-N 0 0 443.525 3.431 50 5 IGBARN Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000012820134 526123944 /nfs/dbraw/zinc/12/39/44/526123944.db2.gz PGOPGZXQDZFMFT-UHFFFAOYSA-N 0 0 442.859 3.254 50 5 IGBARN O=[N+]([O-])c1cccc(-c2csc(N3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1 ZINC000012428910 527383488 /nfs/dbraw/zinc/38/34/88/527383488.db2.gz CNVPJPQJNJSMDU-UHFFFAOYSA-N 0 0 436.540 3.291 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000012814644 527540065 /nfs/dbraw/zinc/54/00/65/527540065.db2.gz HMYJLFAFORKDOJ-UHFFFAOYSA-N 0 0 435.484 3.094 50 5 IGBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc([N+](=O)[O-])cc3)nc21 ZINC000002231453 555760225 /nfs/dbraw/zinc/76/02/25/555760225.db2.gz XJUNYWQPYXCXHG-UHFFFAOYSA-N 0 0 428.404 3.465 50 5 IGBARN CCCCc1noc([C@@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])n1 ZINC000032761053 556325668 /nfs/dbraw/zinc/32/56/68/556325668.db2.gz DAFJQIWGFUSCNS-CYBMUJFWSA-N 0 0 426.495 3.491 50 5 IGBARN O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000004510961 556368081 /nfs/dbraw/zinc/36/80/81/556368081.db2.gz RHLNRSGMTBMLNN-ZKKFKWFVSA-N 0 0 426.428 3.138 50 5 IGBARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000011028999 556444303 /nfs/dbraw/zinc/44/43/03/556444303.db2.gz MEPCYYQVDJPYHP-UHFFFAOYSA-N 0 0 440.239 3.156 50 5 IGBARN C[C@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032882734 556509372 /nfs/dbraw/zinc/50/93/72/556509372.db2.gz JXQFKOZOVHXGHH-KBPBESRZSA-N 0 0 446.470 3.420 50 5 IGBARN COc1c(O)ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000016349604 556602050 /nfs/dbraw/zinc/60/20/50/556602050.db2.gz RMROLULPGGBUNK-INIZCTEOSA-N 0 0 428.470 3.049 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NCCCN2CCCC2=O)c(C)c1 ZINC000033012193 556660698 /nfs/dbraw/zinc/66/06/98/556660698.db2.gz ZDPQTMPCQYNTAI-UHFFFAOYSA-N 0 0 446.529 3.437 50 5 IGBARN O=C(O[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000013015785 556676007 /nfs/dbraw/zinc/67/60/07/556676007.db2.gz LJZFUWPUXHMQRC-FQEVSTJZSA-N 0 0 426.450 3.471 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000013576550 556697931 /nfs/dbraw/zinc/69/79/31/556697931.db2.gz SVKPQABTYLBYBG-QATBIIFWSA-N 0 0 428.448 3.366 50 5 IGBARN C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 ZINC000043208590 557019853 /nfs/dbraw/zinc/01/98/53/557019853.db2.gz GTUIRORNXIOHQR-VIFPVBQESA-N 0 0 431.392 3.315 50 5 in-vivo IGBARN Cc1cc(C)n(-c2ccc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)n1 ZINC000048253831 557052554 /nfs/dbraw/zinc/05/25/54/557052554.db2.gz RBADGBNKZSGJAT-UHFFFAOYSA-N 0 0 434.500 3.325 50 5 IGBARN Cc1cc(NCCS(=O)(=O)N2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048300574 557062368 /nfs/dbraw/zinc/06/23/68/557062368.db2.gz TXLYHPDLVRPNPI-UHFFFAOYSA-N 0 0 439.497 3.165 50 5 IGBARN CCOC(=O)c1cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc([N+](=O)[O-])c1 ZINC000017364595 557074364 /nfs/dbraw/zinc/07/43/64/557074364.db2.gz FMEJLDLFPYOCAV-UHFFFAOYSA-N 0 0 435.440 3.201 50 5 IGBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581041 557116308 /nfs/dbraw/zinc/11/63/08/557116308.db2.gz OZOOYIVANYTWRP-XXBNENTESA-N 0 0 447.491 3.450 50 5 IGBARN COC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1)CCC2 ZINC000000672874 557133230 /nfs/dbraw/zinc/13/32/30/557133230.db2.gz JASRLHQUFSIVEJ-UHFFFAOYSA-N 0 0 426.454 3.429 50 5 IGBARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014728746 557144320 /nfs/dbraw/zinc/14/43/20/557144320.db2.gz VKTURTKULZIPTD-UHFFFAOYSA-N 0 0 448.483 3.227 50 5 IGBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1cc(=O)c2ccccc2o1 ZINC000100872695 557194705 /nfs/dbraw/zinc/19/47/05/557194705.db2.gz IHHPQAXWVYOILL-MRCUWXFGSA-N 0 0 425.422 3.105 50 5 IGBARN COCCOc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1OC ZINC000024956289 557269084 /nfs/dbraw/zinc/26/90/84/557269084.db2.gz PGJPICZJVCABDQ-UHFFFAOYSA-N 0 0 430.866 3.391 50 5 IGBARN O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 ZINC000023411256 557352739 /nfs/dbraw/zinc/35/27/39/557352739.db2.gz DLSVXLIMKNJFIX-VQIMIIECSA-N 0 0 435.440 3.040 50 5 IGBARN CN(C[C@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000225834550 557372442 /nfs/dbraw/zinc/37/24/42/557372442.db2.gz AUEPGRZRIVDAGL-SNVBAGLBSA-N 0 0 427.704 3.200 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023753816 557375760 /nfs/dbraw/zinc/37/57/60/557375760.db2.gz KXQKTXADQUWWTA-UHFFFAOYSA-N 0 0 429.420 3.120 50 5 IGBARN O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104914893 557464726 /nfs/dbraw/zinc/46/47/26/557464726.db2.gz BOYGYZQPTTYSTJ-ISKFKSNPSA-N 0 0 443.507 3.174 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000107366218 557535614 /nfs/dbraw/zinc/53/56/14/557535614.db2.gz KXXNYCTVJBNIJF-HNNXBMFYSA-N 0 0 435.502 3.055 50 5 IGBARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024988615 557830045 /nfs/dbraw/zinc/83/00/45/557830045.db2.gz DLHUCZGDWCRYDL-OAHLLOKOSA-N 0 0 449.916 3.238 50 5 IGBARN COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 ZINC000001807631 562924739 /nfs/dbraw/zinc/92/47/39/562924739.db2.gz XIVHRLVXRBNAFU-UHFFFAOYSA-N 0 0 441.440 3.407 50 5 IGBARN COc1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000008687489 562962964 /nfs/dbraw/zinc/96/29/64/562962964.db2.gz FPZDJMOTHRIVFY-GFCCVEGCSA-N 0 0 443.740 3.358 50 5 aggregator IGBARN CCOP(=O)(OCC)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000009086637 562966918 /nfs/dbraw/zinc/96/69/18/562966918.db2.gz NEFNHDKUCIZDQT-GFCCVEGCSA-N 0 0 429.244 3.387 50 5 IGBARN CS(=O)(=O)c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000015117225 568644893 /nfs/dbraw/zinc/64/48/93/568644893.db2.gz XWJLKSDMVPOQTR-UHFFFAOYSA-N 0 0 444.435 3.129 50 5 IGBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000000990364 568648277 /nfs/dbraw/zinc/64/82/77/568648277.db2.gz QBSJUDHSMOXDOP-UHFFFAOYSA-N 0 0 446.371 3.141 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001051116 568654661 /nfs/dbraw/zinc/65/46/61/568654661.db2.gz YIQUPVNRKHGNII-LLVKDONJSA-N 0 0 427.866 3.050 50 5 IGBARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001087568 568656981 /nfs/dbraw/zinc/65/69/81/568656981.db2.gz HTHPMOWMRHIOPB-FQEVSTJZSA-N 0 0 433.424 3.248 50 5 IGBARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000001195849 568736722 /nfs/dbraw/zinc/73/67/22/568736722.db2.gz ZZBSSADWMVVRIJ-LQDNNDEMSA-N 0 0 426.428 3.138 50 5 IGBARN O=C(N[C@H]1CCCc2ccccc21)c1[nH]nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000034789577 568738134 /nfs/dbraw/zinc/73/81/34/568738134.db2.gz GSYUVZVOQCCKMI-FQEVSTJZSA-N 0 0 445.479 3.324 50 5 IGBARN CCN(C(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc2ccccc21 ZINC000003286393 568744965 /nfs/dbraw/zinc/74/49/65/568744965.db2.gz ABARYFKCFCFUSD-UHFFFAOYSA-N 0 0 449.463 3.383 50 5 IGBARN COc1cc(N[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)C2)cc(OC)c1 ZINC000084086058 568791952 /nfs/dbraw/zinc/79/19/52/568791952.db2.gz HXFGNFVUQXMCGJ-MRXNPFEDSA-N 0 0 449.529 3.494 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000006144194 568846064 /nfs/dbraw/zinc/84/60/64/568846064.db2.gz BLFLJDWUCKGALR-UHFFFAOYSA-N 0 0 431.474 3.321 50 5 IGBARN CC1CCN(c2ccc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 ZINC000016471135 568906777 /nfs/dbraw/zinc/90/67/77/568906777.db2.gz ZYLRGSRGAPRHHN-UHFFFAOYSA-N 0 0 428.464 3.492 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000013137161 569125691 /nfs/dbraw/zinc/12/56/91/569125691.db2.gz CRXLYMUWXKPWER-CQSZACIVSA-N 0 0 433.486 3.276 50 5 IGBARN COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c(OC)c1OC ZINC000170596481 569142042 /nfs/dbraw/zinc/14/20/42/569142042.db2.gz XEDRUOIHEINSHD-CQSZACIVSA-N 0 0 447.463 3.106 50 5 IGBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000240333308 569143312 /nfs/dbraw/zinc/14/33/12/569143312.db2.gz FCXVNHXMGAMNJZ-UHFFFAOYSA-N 0 0 443.309 3.039 50 5 IGBARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000170617646 569146872 /nfs/dbraw/zinc/14/68/72/569146872.db2.gz SGYYVRGPSUMOFG-UHFFFAOYSA-N 0 0 449.204 3.265 50 5 IGBARN CC(=O)Nc1ccc(S(=O)(=O)c2cc3c(nc2N)oc2ccc(Cl)cc2c3=O)cc1 ZINC000170626164 569148600 /nfs/dbraw/zinc/14/86/00/569148600.db2.gz KMNJGWCQUSXOIQ-UHFFFAOYSA-N 0 0 443.868 3.368 50 5 IGBARN COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@]32CSC(=O)N2)cc1OC ZINC000016768109 569161415 /nfs/dbraw/zinc/16/14/15/569161415.db2.gz WFDBUFCDVRPJEF-FOIQADDNSA-N 0 0 442.453 3.266 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@@H]2C1 ZINC000016956824 569167189 /nfs/dbraw/zinc/16/71/89/569167189.db2.gz VNMMVXQCNDNNJB-OTURYTIQSA-N 0 0 440.500 3.358 50 5 IGBARN Cc1cc([N+](=O)[O-])cc(C)c1C(=O)OC[C@@H](CO)OC(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000002187150 569190423 /nfs/dbraw/zinc/19/04/23/569190423.db2.gz QTMCXOFGQCMENM-QGZVFWFLSA-N 0 0 446.412 3.111 50 5 IGBARN Cc1c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cccc1[N+](=O)[O-] ZINC000002202333 569191777 /nfs/dbraw/zinc/19/17/77/569191777.db2.gz NEZZDEIIZAAYDN-UHFFFAOYSA-N 0 0 448.438 3.353 50 5 IGBARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000037426021 569195763 /nfs/dbraw/zinc/19/57/63/569195763.db2.gz CCZRENUJMFGKFW-CQSZACIVSA-N 0 0 431.518 3.419 50 5 IGBARN CC(C)C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc([N+](=O)[O-])cc4)n32)CC1 ZINC000037554453 569200477 /nfs/dbraw/zinc/20/04/77/569200477.db2.gz OCKRLCYSLUTAMK-UHFFFAOYSA-N 0 0 445.483 3.157 50 5 IGBARN COCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(OC)ccc2OC)c1=O ZINC000002310219 569272214 /nfs/dbraw/zinc/27/22/14/569272214.db2.gz XAHSHQKVBHSUKN-UHFFFAOYSA-N 0 0 445.479 3.337 50 5 IGBARN COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002340013 569274573 /nfs/dbraw/zinc/27/45/73/569274573.db2.gz WZDWKJZHICKDMR-UHFFFAOYSA-N 0 0 448.815 3.180 50 5 IGBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000017988929 569283584 /nfs/dbraw/zinc/28/35/84/569283584.db2.gz GUVIHPBJVPOERZ-ROUUACIJSA-N 0 0 425.416 3.467 50 5 IGBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl ZINC000008857472 569291296 /nfs/dbraw/zinc/29/12/96/569291296.db2.gz KMYBQVIYOIMNRC-UHFFFAOYSA-N 0 0 446.872 3.374 50 5 IGBARN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000225436764 569300644 /nfs/dbraw/zinc/30/06/44/569300644.db2.gz TYTKLGYIQVXNHA-GFCCVEGCSA-N 0 0 431.239 3.299 50 5 IGBARN COc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000012986153 569305663 /nfs/dbraw/zinc/30/56/63/569305663.db2.gz VJPLTAJBEDPBND-UHFFFAOYSA-N 0 0 445.457 3.153 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000013003676 569306067 /nfs/dbraw/zinc/30/60/67/569306067.db2.gz BLYMXVHEQWEPKY-UHFFFAOYSA-N 0 0 433.877 3.318 50 5 IGBARN O=C(COc1ccc(Br)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019789407 569329285 /nfs/dbraw/zinc/32/92/85/569329285.db2.gz SYGCHPKSHHVZHF-UHFFFAOYSA-N 0 0 434.290 3.081 50 5 IGBARN O=C(CSc1ccsc1[N+](=O)[O-])NCCCN1CCN(c2ccccc2F)CC1 ZINC000020355379 569361331 /nfs/dbraw/zinc/36/13/31/569361331.db2.gz IISPTVXPKNQSAB-UHFFFAOYSA-N 0 0 438.550 3.216 50 5 IGBARN Cc1nccn1C[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000095407813 569364699 /nfs/dbraw/zinc/36/46/99/569364699.db2.gz DWJJRWOIQJNEAB-SFHVURJKSA-N 0 0 447.561 3.333 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000095441117 569366686 /nfs/dbraw/zinc/36/66/86/569366686.db2.gz ORYKPICNNXAJIF-VQIMIIECSA-N 0 0 437.493 3.077 50 5 IGBARN COCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)Cc1ccc(F)cc1 ZINC000096293808 569391642 /nfs/dbraw/zinc/39/16/42/569391642.db2.gz KEWMRUNIXJRGHV-UHFFFAOYSA-N 0 0 428.420 3.044 50 5 IGBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000002868578 569423714 /nfs/dbraw/zinc/42/37/14/569423714.db2.gz WOZRKJHDDOLVRP-UHFFFAOYSA-N 0 0 444.399 3.165 50 5 IGBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000029006011 569424195 /nfs/dbraw/zinc/42/41/95/569424195.db2.gz VOQMBARFCZAEMQ-OAQYLSRUSA-N 0 0 432.436 3.285 50 5 IGBARN Cc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1[N+](=O)[O-] ZINC000030063076 569440608 /nfs/dbraw/zinc/44/06/08/569440608.db2.gz KAXLBNDFEHVVRT-UHFFFAOYSA-N 0 0 429.498 3.281 50 5 IGBARN O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000003165941 569441042 /nfs/dbraw/zinc/44/10/42/569441042.db2.gz DJCBVDUXZIBPKG-UHFFFAOYSA-N 0 0 432.392 3.076 50 5 IGBARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000003187531 569441339 /nfs/dbraw/zinc/44/13/39/569441339.db2.gz BCZGCGQQZYYRMY-UHFFFAOYSA-N 0 0 432.483 3.221 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000030497059 569442887 /nfs/dbraw/zinc/44/28/87/569442887.db2.gz MACPPWRBAOTMKS-MRXNPFEDSA-N 0 0 434.470 3.291 50 5 IGBARN CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000057991046 569444302 /nfs/dbraw/zinc/44/43/02/569444302.db2.gz WTZXQTZXRGVVHZ-UHFFFAOYSA-N 0 0 442.877 3.011 50 5 IGBARN CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003402494 569449809 /nfs/dbraw/zinc/44/98/09/569449809.db2.gz HXGMTCKZQXHVOX-UHFFFAOYSA-N 0 0 439.299 3.478 50 5 IGBARN Cc1cc(=O)c(C(=O)Nc2ccnn2Cc2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000058310061 569452786 /nfs/dbraw/zinc/45/27/86/569452786.db2.gz YPLKITLRRDJZEW-UHFFFAOYSA-N 0 0 436.453 3.008 50 5 IGBARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003523572 569453268 /nfs/dbraw/zinc/45/32/68/569453268.db2.gz DFTJTXGWOOWEJV-UHFFFAOYSA-N 0 0 438.621 3.376 50 5 IGBARN CC(=O)Nc1c2ccccc2c(N(C(C)=O)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008398003 569463181 /nfs/dbraw/zinc/46/31/81/569463181.db2.gz ULCOXBPWHOFBFN-UHFFFAOYSA-N 0 0 427.438 3.448 50 5 IGBARN O=C1N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828339 569477817 /nfs/dbraw/zinc/47/78/17/569477817.db2.gz LZKKIFRJBZMUPV-CVEARBPZSA-N 0 0 441.387 3.226 50 5 IGBARN Cc1c([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000040071069 569485685 /nfs/dbraw/zinc/48/56/85/569485685.db2.gz UITUUBIYJPASQC-ZDUSSCGKSA-N 0 0 435.419 3.300 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000008921415 569486806 /nfs/dbraw/zinc/48/68/06/569486806.db2.gz YDQZASDIFITNCK-XITLMJRVSA-N 0 0 428.470 3.366 50 5 IGBARN CN(C(=O)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000040121236 569489500 /nfs/dbraw/zinc/48/95/00/569489500.db2.gz OEWIOAVHCOJUCH-UHFFFAOYSA-N 0 0 425.363 3.319 50 5 IGBARN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000040154572 569493761 /nfs/dbraw/zinc/49/37/61/569493761.db2.gz KJUFYNHNTAXGDQ-UHFFFAOYSA-N 0 0 429.452 3.349 50 5 IGBARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000009030704 569497066 /nfs/dbraw/zinc/49/70/66/569497066.db2.gz YUXOLVGDSYIPKY-UHFFFAOYSA-N 0 0 446.437 3.486 50 5 IGBARN C[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000245245843 569501215 /nfs/dbraw/zinc/50/12/15/569501215.db2.gz VDPZKOHTKXABQZ-LMMKCTJWSA-N 0 0 436.512 3.395 50 5 IGBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000009120773 569503971 /nfs/dbraw/zinc/50/39/71/569503971.db2.gz MOEGWNUQLMSJQT-WCQYABFASA-N 0 0 425.363 3.370 50 5 IGBARN O=C(COC(=O)C1CCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000009315426 569522116 /nfs/dbraw/zinc/52/21/16/569522116.db2.gz RBSGLYHKUPTXNT-UHFFFAOYSA-N 0 0 436.056 3.402 50 5 IGBARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000009465132 569537845 /nfs/dbraw/zinc/53/78/45/569537845.db2.gz VGCDOCLQIIMSDN-CYBMUJFWSA-N 0 0 449.460 3.284 50 5 IGBARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000009491454 569540382 /nfs/dbraw/zinc/54/03/82/569540382.db2.gz CLRFIBRAXWQWCJ-UHFFFAOYSA-N 0 0 429.458 3.232 50 5 IGBARN Nc1nc(SCc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518211 569544010 /nfs/dbraw/zinc/54/40/10/569544010.db2.gz XRYOPPLOAHVUSD-UHFFFAOYSA-N 0 0 433.396 3.083 50 5 IGBARN COc1cc([C@@H]2OC(c3ccncc3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000009529691 569544873 /nfs/dbraw/zinc/54/48/73/569544873.db2.gz AOSPVPHSAUYWBA-NRFANRHFSA-N 0 0 435.396 3.425 50 5 IGBARN COc1cc([C@H]2OC(c3ccncc3)=NN2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000009529692 569544903 /nfs/dbraw/zinc/54/49/03/569544903.db2.gz AOSPVPHSAUYWBA-OAQYLSRUSA-N 0 0 435.396 3.425 50 5 IGBARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009569523 569547618 /nfs/dbraw/zinc/54/76/18/569547618.db2.gz FUGCTWUDPBVQHI-UHFFFAOYSA-N 0 0 428.445 3.463 50 5 IGBARN O=C(NCCc1nnc2ccc(SCc3ccc([N+](=O)[O-])cc3)nn21)c1ccccc1 ZINC000009578403 569548322 /nfs/dbraw/zinc/54/83/22/569548322.db2.gz HZAOQCOHFPBCQP-UHFFFAOYSA-N 0 0 434.481 3.297 50 5 IGBARN Cc1csc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)n1 ZINC000009600093 569551426 /nfs/dbraw/zinc/55/14/26/569551426.db2.gz BKBXKCBKOMZLSF-UHFFFAOYSA-N 0 0 436.500 3.194 50 5 IGBARN C[C@@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000009703551 569561372 /nfs/dbraw/zinc/56/13/72/569561372.db2.gz ZSSFZTDTZOOHSR-BUBBNXEVSA-N 0 0 435.546 3.131 50 5 IGBARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3ccccc3c3ccccc3c2=O)cc1 ZINC000010233281 569579585 /nfs/dbraw/zinc/57/95/85/569579585.db2.gz DOLVJWFPZXCAMK-UHFFFAOYSA-N 0 0 428.444 3.330 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CCC2 ZINC000009090596 132226710 /nfs/dbraw/zinc/22/67/10/132226710.db2.gz IWYLXNWAPRPBRN-UHFFFAOYSA-N 0 0 445.497 3.411 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc21 ZINC000001424340 132245268 /nfs/dbraw/zinc/24/52/68/132245268.db2.gz OAXZEWXIMHYGTH-UHFFFAOYSA-N 0 0 443.843 3.326 50 5 IGBARN C[C@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005150525 132275059 /nfs/dbraw/zinc/27/50/59/132275059.db2.gz IMLIBDXSSRQGJJ-HOTGVXAUSA-N 0 0 426.521 3.040 50 5 IGBARN CCCCc1nn2c(nc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2=O)s1 ZINC000005946687 132275711 /nfs/dbraw/zinc/27/57/11/132275711.db2.gz BKYFNPKJCDHHPV-UHFFFAOYSA-N 0 0 448.936 3.382 50 5 IGBARN COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC ZINC000009113854 132303402 /nfs/dbraw/zinc/30/34/02/132303402.db2.gz WANCVGBKRBXYSS-UHFFFAOYSA-N 0 0 435.864 3.236 50 5 IGBARN CS(=O)(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000009127415 132305571 /nfs/dbraw/zinc/30/55/71/132305571.db2.gz NKEVRKJPEXRNKB-UHFFFAOYSA-N 0 0 429.420 3.344 50 5 IGBARN CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1CCC ZINC000009266798 132311956 /nfs/dbraw/zinc/31/19/56/132311956.db2.gz ICQQHMIHKDXIRX-AVRDEDQJSA-N 0 0 430.505 3.399 50 5 IGBARN CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O ZINC000009581137 132322228 /nfs/dbraw/zinc/32/22/28/132322228.db2.gz KCDHUFGJZNDAAC-AUSIDOKSSA-N 0 0 436.468 3.193 50 5 IGBARN Cc1c(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cccc1[N+](=O)[O-] ZINC000011776034 132339562 /nfs/dbraw/zinc/33/95/62/132339562.db2.gz CKNHAWIXBQNIRF-UHFFFAOYSA-N 0 0 449.393 3.215 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000028173554 519719953 /nfs/dbraw/zinc/71/99/53/519719953.db2.gz QTFFOKYLSYUOEB-QHCPKHFHSA-N 0 0 437.452 3.273 50 5 IGBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000012622063 520807526 /nfs/dbraw/zinc/80/75/26/520807526.db2.gz KKYXRQMYWMLZAF-INIZCTEOSA-N 0 0 431.792 3.423 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C[C@H](C)CC2 ZINC000021548911 521415628 /nfs/dbraw/zinc/41/56/28/521415628.db2.gz UNPJLDUCNQGMEZ-SNVBAGLBSA-N 0 0 436.442 3.346 50 5 IGBARN COc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c([N+](=O)[O-])cc1OC ZINC000012765412 522081864 /nfs/dbraw/zinc/08/18/64/522081864.db2.gz RUPXBDYOORGVSD-UHFFFAOYSA-N 0 0 437.855 3.363 50 5 IGBARN COc1ccc(-n2cnn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2=S)cc1 ZINC000012564820 523340582 /nfs/dbraw/zinc/34/05/82/523340582.db2.gz IQAPMVSYXJPPQU-UHFFFAOYSA-N 0 0 426.502 3.100 50 5 IGBARN CO[C@H](C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014608551 523836640 /nfs/dbraw/zinc/83/66/40/523836640.db2.gz VCXILYATOBOWIQ-URZXNRHOSA-N 0 0 437.495 3.275 50 5 IGBARN Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C ZINC000022097554 524567151 /nfs/dbraw/zinc/56/71/51/524567151.db2.gz QMOLTNOLKRYBDJ-JKSUJKDBSA-N 0 0 425.441 3.135 50 5 IGBARN COc1ccc(Nc2nc(O)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000012786561 524675222 /nfs/dbraw/zinc/67/52/22/524675222.db2.gz DNEFEWZIZNSPAY-MRXNPFEDSA-N 0 0 430.442 3.051 50 5 IGBARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000032945544 524848616 /nfs/dbraw/zinc/84/86/16/524848616.db2.gz ABQROMDYNHZFHW-UHFFFAOYSA-N 0 0 443.456 3.398 50 5 IGBARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000015545993 525057283 /nfs/dbraw/zinc/05/72/83/525057283.db2.gz LHGSCIVKOFWFJR-OAQYLSRUSA-N 0 0 438.484 3.122 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021308699 525472155 /nfs/dbraw/zinc/47/21/55/525472155.db2.gz QCMSZJBRQCNXKH-MRXNPFEDSA-N 0 0 439.346 3.289 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000021308702 525473111 /nfs/dbraw/zinc/47/31/11/525473111.db2.gz QCMSZJBRQCNXKH-INIZCTEOSA-N 0 0 439.346 3.289 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1Cl ZINC000012597682 525662182 /nfs/dbraw/zinc/66/21/82/525662182.db2.gz NNWFFNDOJVDCEM-ZDUSSCGKSA-N 0 0 425.894 3.442 50 5 IGBARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000012791924 525954377 /nfs/dbraw/zinc/95/43/77/525954377.db2.gz ZQKRGOCYIYHEGM-SFHVURJKSA-N 0 0 448.317 3.469 50 5 IGBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012524573 526494478 /nfs/dbraw/zinc/49/44/78/526494478.db2.gz RIYGULFQJBIZLO-FQEVSTJZSA-N 0 0 444.557 3.450 50 5 IGBARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000022907600 526580630 /nfs/dbraw/zinc/58/06/30/526580630.db2.gz ZSJUETKXLNTFAU-HXUWFJFHSA-N 0 0 434.452 3.042 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012732235 526693830 /nfs/dbraw/zinc/69/38/30/526693830.db2.gz MGKHSNHGNYXVLH-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN CC1(C)OC(=O)C2(Cc3c(ccc([N+](=O)[O-])c3N3CCCCC3)N3CCCC[C@H]32)C(=O)O1 ZINC000008738346 534984982 /nfs/dbraw/zinc/98/49/82/534984982.db2.gz OGIPQENSAODRFJ-SFHVURJKSA-N 0 0 443.500 3.323 50 5 IGBARN COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1C ZINC000010533972 555693295 /nfs/dbraw/zinc/69/32/95/555693295.db2.gz DAMDSDJAGHMXDM-UHFFFAOYSA-N 0 0 428.344 3.293 50 5 IGBARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000032744730 556304902 /nfs/dbraw/zinc/30/49/02/556304902.db2.gz YTGQBGUZKWPHCK-LJQANCHMSA-N 0 0 441.484 3.426 50 5 IGBARN C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O ZINC000229903590 556406928 /nfs/dbraw/zinc/40/69/28/556406928.db2.gz RMCDXTYIXGQFFN-VNOPPTIDSA-N 0 0 448.479 3.336 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(CCOc2ccccc2)CC1 ZINC000014899211 556456608 /nfs/dbraw/zinc/45/66/08/556456608.db2.gz RNICKTBSGOWWCS-UHFFFAOYSA-N 0 0 441.531 3.378 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000072280434 556461819 /nfs/dbraw/zinc/46/18/19/556461819.db2.gz HEYLXNXDYLDVDF-UHFFFAOYSA-N 0 0 443.891 3.253 50 5 IGBARN Cc1ccccc1-c1noc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 ZINC000032910992 556581885 /nfs/dbraw/zinc/58/18/85/556581885.db2.gz KGZXYEWGRIZSTL-UHFFFAOYSA-N 0 0 444.469 3.317 50 5 IGBARN C[C@H](OC(=O)c1cnn2c1nccc2-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032922095 556647648 /nfs/dbraw/zinc/64/76/48/556647648.db2.gz DNXAHIMKGKZKHO-AWEZNQCLSA-N 0 0 431.408 3.489 50 5 IGBARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999814 556653508 /nfs/dbraw/zinc/65/35/08/556653508.db2.gz LFJRZOLGYJLFJC-LEWJYISDSA-N 0 0 441.528 3.497 50 5 IGBARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(CO)c3ccccc3C2c2ccccc21 ZINC000013590861 556700525 /nfs/dbraw/zinc/70/05/25/556700525.db2.gz UITPNGQIYMKCQI-ZKKFKWFVSA-N 0 0 426.428 3.138 50 5 IGBARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(CO)c3ccccc3C2c2ccccc21 ZINC000013590857 556700535 /nfs/dbraw/zinc/70/05/35/556700535.db2.gz UITPNGQIYMKCQI-YCIYHOANSA-N 0 0 426.428 3.138 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1)Nc1cccc(F)c1 ZINC000078878669 556735940 /nfs/dbraw/zinc/73/59/40/556735940.db2.gz QMRIZRVZGGWIHC-UHFFFAOYSA-N 0 0 437.269 3.257 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812257 557029461 /nfs/dbraw/zinc/02/94/61/557029461.db2.gz HBYCPTVLDSIJPK-CYBMUJFWSA-N 0 0 429.907 3.492 50 5 IGBARN O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000011365760 557114057 /nfs/dbraw/zinc/11/40/57/557114057.db2.gz LRQWTNBINUWCFP-UHFFFAOYSA-N 0 0 448.435 3.491 50 5 IGBARN Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 ZINC000023246033 557121483 /nfs/dbraw/zinc/12/14/83/557121483.db2.gz MNOLBURWXCQODI-GOSISDBHSA-N 0 0 435.912 3.022 50 5 IGBARN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000101268584 557265286 /nfs/dbraw/zinc/26/52/86/557265286.db2.gz FNWLZPCKWKIYAM-QZTJIDSGSA-N 0 0 449.463 3.319 50 5 IGBARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102745870 557378145 /nfs/dbraw/zinc/37/81/45/557378145.db2.gz KVIPLKNZFFKCIK-LJQANCHMSA-N 0 0 442.497 3.259 50 5 IGBARN CC[C@H](C)c1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317126 557451627 /nfs/dbraw/zinc/45/16/27/557451627.db2.gz AVGIQJYVWCLHML-INIZCTEOSA-N 0 0 441.532 3.093 50 5 IGBARN CN1OC[C@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000105049168 557473921 /nfs/dbraw/zinc/47/39/21/557473921.db2.gz XHOIVMYTQUIHTM-DLBZAZTESA-N 0 0 445.419 3.020 50 5 IGBARN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002101667 562925832 /nfs/dbraw/zinc/92/58/32/562925832.db2.gz SDLBNJCXSZNGDR-VIFPVBQESA-N 0 0 441.227 3.358 50 5 IGBARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009806334 562977018 /nfs/dbraw/zinc/97/70/18/562977018.db2.gz ZBCIQGTYGSVRSZ-IBGZPJMESA-N 0 0 431.514 3.103 50 5 IGBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013138452 562985153 /nfs/dbraw/zinc/98/51/53/562985153.db2.gz ARVFOBBBEXIKTR-OAHLLOKOSA-N 0 0 426.853 3.217 50 5 IGBARN COCCNc1ccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000025082084 568635565 /nfs/dbraw/zinc/63/55/65/568635565.db2.gz VVGIKYVUTVAALC-UHFFFAOYSA-N 0 0 442.516 3.010 50 5 IGBARN O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(C(=O)c2cccnc2)CC1 ZINC000001055453 568654458 /nfs/dbraw/zinc/65/44/58/568654458.db2.gz PNKYHPMDCQZMNK-UHFFFAOYSA-N 0 0 430.873 3.456 50 5 IGBARN Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(OCC(F)(F)F)cc([N+](=O)[O-])c3)nc2n1 ZINC000001071472 568654860 /nfs/dbraw/zinc/65/48/60/568654860.db2.gz ALDSTRLGYORZNK-UHFFFAOYSA-N 0 0 446.292 3.472 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] ZINC000001071075 568654896 /nfs/dbraw/zinc/65/48/96/568654896.db2.gz BPWISZPZDUFXLF-UHFFFAOYSA-N 0 0 425.264 3.196 50 5 IGBARN COC(=O)C1=CN(Cc2ccccc2OC)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000001140864 568660760 /nfs/dbraw/zinc/66/07/60/568660760.db2.gz QFVONZLFCZZZJA-UHFFFAOYSA-N 0 0 438.436 3.317 50 5 IGBARN COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001195496 568736297 /nfs/dbraw/zinc/73/62/97/568736297.db2.gz FTWYZBSCCHBQNX-ZKKFKWFVSA-N 0 0 426.428 3.480 50 5 IGBARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2(CO)c2ccccc21 ZINC000001195850 568736716 /nfs/dbraw/zinc/73/67/16/568736716.db2.gz ZZBSSADWMVVRIJ-NFJKTXFASA-N 0 0 426.428 3.138 50 5 IGBARN CN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1C(F)(F)F ZINC000012526672 568742408 /nfs/dbraw/zinc/74/24/08/568742408.db2.gz AKMHOTQAZLKYOI-UHFFFAOYSA-N 0 0 436.434 3.394 50 5 IGBARN COc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1OC ZINC000012571750 568750616 /nfs/dbraw/zinc/75/06/16/568750616.db2.gz QTEDOTNQPXQVNA-UHFFFAOYSA-N 0 0 439.218 3.170 50 5 IGBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000015276470 568754299 /nfs/dbraw/zinc/75/42/99/568754299.db2.gz QYIAURVNNDKFEZ-MRXNPFEDSA-N 0 0 442.877 3.230 50 5 IGBARN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(CCOc4ccc(Cl)cc4)CC3)n2)c1 ZINC000025923224 568793583 /nfs/dbraw/zinc/79/35/83/568793583.db2.gz MAEDVTCFTSWILS-UHFFFAOYSA-N 0 0 443.891 3.495 50 5 IGBARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)c1 ZINC000015746665 568818638 /nfs/dbraw/zinc/81/86/38/568818638.db2.gz JRPFPSWPIKCKLG-LDADJPATSA-N 0 0 435.392 3.384 50 5 IGBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000016183249 568872160 /nfs/dbraw/zinc/87/21/60/568872160.db2.gz OHQJZGUTAFDIPH-CPUCHLNUSA-N 0 0 443.765 3.352 50 5 IGBARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000016425765 568896862 /nfs/dbraw/zinc/89/68/62/568896862.db2.gz DPIXHYXPBPBJMZ-UHFFFAOYSA-N 0 0 446.891 3.324 50 5 IGBARN O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccnc1 ZINC000016429911 568900419 /nfs/dbraw/zinc/90/04/19/568900419.db2.gz JVIDMRPCQSNHBI-CYBMUJFWSA-N 0 0 434.623 3.436 50 5 IGBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)cs1 ZINC000013020085 568902005 /nfs/dbraw/zinc/90/20/05/568902005.db2.gz RIXMSFNKTMCAOF-UHFFFAOYSA-N 0 0 431.495 3.360 50 5 IGBARN O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3Br)nn12 ZINC000001896642 568917909 /nfs/dbraw/zinc/91/79/09/568917909.db2.gz XELDHHJJVYUELE-ZROIWOOFSA-N 0 0 429.255 3.036 50 5 IGBARN COCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 ZINC000026964530 568927851 /nfs/dbraw/zinc/92/78/51/568927851.db2.gz OYVNUDWBVZUXSH-HMMYKYKNSA-N 0 0 435.436 3.388 50 5 IGBARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000006732293 568967355 /nfs/dbraw/zinc/96/73/55/568967355.db2.gz QNZOSOHNEWCYFL-VCBXAZPMSA-N 0 0 432.410 3.461 50 5 IGBARN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250292 568983809 /nfs/dbraw/zinc/98/38/09/568983809.db2.gz FFBHTSOBLBZCSQ-XMSQKQJNSA-N 0 0 442.560 3.312 50 5 IGBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCSCC1 ZINC000169681745 568992506 /nfs/dbraw/zinc/99/25/06/568992506.db2.gz FRCHUXRQHQSRHN-IRLDBZIGSA-N 0 0 438.553 3.038 50 5 IGBARN CCOC(=O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1C ZINC000170091618 569137355 /nfs/dbraw/zinc/13/73/55/569137355.db2.gz JLIQXXLQURZSKS-JOCHJYFZSA-N 0 0 436.468 3.360 50 5 IGBARN O=[N+]([O-])c1c(/C=C/c2ccccc2)nc(NCCCn2ccnc2)nc1N1CCOCC1 ZINC000071195144 569149598 /nfs/dbraw/zinc/14/95/98/569149598.db2.gz VOQIZLCBZZOCFY-BQYQJAHWSA-N 0 0 435.488 3.091 50 5 IGBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000013739169 569156902 /nfs/dbraw/zinc/15/69/02/569156902.db2.gz ZDPYMGISAFBJDY-QDUHJBTASA-N 0 0 440.484 3.274 50 5 IGBARN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 ZINC000170638850 569178646 /nfs/dbraw/zinc/17/86/46/569178646.db2.gz ATIXMRUJWLXGBI-ZIAGYGMSSA-N 0 0 430.242 3.277 50 5 IGBARN CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc12 ZINC000017529575 569189710 /nfs/dbraw/zinc/18/97/10/569189710.db2.gz AKUQIRXOIYWLCA-GOSISDBHSA-N 0 0 426.450 3.275 50 5 IGBARN Cc1cc([N+](=O)[O-])cc(C)c1C(=O)OC[C@H](CO)OC(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000002187151 569190449 /nfs/dbraw/zinc/19/04/49/569190449.db2.gz QTMCXOFGQCMENM-KRWDZBQOSA-N 0 0 446.412 3.111 50 5 IGBARN COc1ccccc1-n1c2nc3ccccc3nc2c2c1ncn(C[C@@H]1CCCO1)c2=O ZINC000002218243 569204008 /nfs/dbraw/zinc/20/40/08/569204008.db2.gz LFAOGNWRPNVLSP-HNNXBMFYSA-N 0 0 427.464 3.471 50 5 IGBARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000027527459 569263214 /nfs/dbraw/zinc/26/32/14/569263214.db2.gz IWUSWKDMBWFFOP-UHFFFAOYSA-N 0 0 430.420 3.293 50 5 IGBARN Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017988954 569283533 /nfs/dbraw/zinc/28/35/33/569283533.db2.gz FNWLZPCKWKIYAM-ROUUACIJSA-N 0 0 449.463 3.319 50 5 IGBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 ZINC000009246921 569294614 /nfs/dbraw/zinc/29/46/14/569294614.db2.gz HVZJCCVQZXNVFR-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000013012125 569306894 /nfs/dbraw/zinc/30/68/94/569306894.db2.gz HMLUTVGNNFHJRL-CYBMUJFWSA-N 0 0 442.515 3.126 50 5 IGBARN COCCOCCN(Cc1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000079096302 569325364 /nfs/dbraw/zinc/32/53/64/569325364.db2.gz KPQBYIISBXMDEJ-UHFFFAOYSA-N 0 0 438.484 3.229 50 5 IGBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000019879090 569331509 /nfs/dbraw/zinc/33/15/09/569331509.db2.gz JKAGJSGDRRPKKZ-MRXNPFEDSA-N 0 0 426.372 3.167 50 5 IGBARN Cc1c(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000020355009 569361306 /nfs/dbraw/zinc/36/13/06/569361306.db2.gz VBOOREQIDBPURD-UHFFFAOYSA-N 0 0 429.436 3.238 50 5 IGBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(CCOc2nonc2-c2ccccc2)CC1 ZINC000055433493 569405193 /nfs/dbraw/zinc/40/51/93/569405193.db2.gz AGCSZKUAUVFRIZ-UHFFFAOYSA-N 0 0 429.864 3.499 50 5 IGBARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000002650948 569414890 /nfs/dbraw/zinc/41/48/90/569414890.db2.gz QSMZBLOCXLWEBU-UHFFFAOYSA-N 0 0 425.466 3.424 50 5 IGBARN Cc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000002729552 569418055 /nfs/dbraw/zinc/41/80/55/569418055.db2.gz GFGBCRQPHVUXMW-LBPRGKRZSA-N 0 0 433.534 3.358 50 5 IGBARN CCc1c(C)sc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1C(N)=O ZINC000002794725 569421589 /nfs/dbraw/zinc/42/15/89/569421589.db2.gz PYJIPKLOYVMLEU-UHFFFAOYSA-N 0 0 427.486 3.432 50 5 IGBARN CCn1cc(Cn2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cn2)cn1 ZINC000002805354 569422245 /nfs/dbraw/zinc/42/22/45/569422245.db2.gz AKMTYKRHFKREEF-UHFFFAOYSA-N 0 0 448.487 3.170 50 5 IGBARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000002843008 569423221 /nfs/dbraw/zinc/42/32/21/569423221.db2.gz GGMCCBJVTSDJKX-UHFFFAOYSA-N 0 0 429.458 3.138 50 5 IGBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000029006005 569424210 /nfs/dbraw/zinc/42/42/10/569424210.db2.gz VOQMBARFCZAEMQ-NRFANRHFSA-N 0 0 432.436 3.285 50 5 IGBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000002986602 569433793 /nfs/dbraw/zinc/43/37/93/569433793.db2.gz YHPDPVVGNKRPQT-SXGWCWSVSA-N 0 0 432.410 3.463 50 5 IGBARN CS(=O)(=O)c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] ZINC000058005109 569444572 /nfs/dbraw/zinc/44/45/72/569444572.db2.gz WRXSLUQYOJSHBZ-UHFFFAOYSA-N 0 0 444.435 3.129 50 5 IGBARN Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000003450071 569451614 /nfs/dbraw/zinc/45/16/14/569451614.db2.gz RHUPWCBHNZTQCT-UHFFFAOYSA-N 0 0 447.447 3.482 50 5 IGBARN O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000058331071 569453195 /nfs/dbraw/zinc/45/31/95/569453195.db2.gz BSLMMAWWAUHKCK-SFHVURJKSA-N 0 0 447.329 3.154 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccc(C)c(F)c1 ZINC000058907998 569458042 /nfs/dbraw/zinc/45/80/42/569458042.db2.gz PVRTYEPTZHGASU-UHFFFAOYSA-N 0 0 442.403 3.422 50 5 IGBARN COc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000008709054 569470747 /nfs/dbraw/zinc/47/07/47/569470747.db2.gz QHFQECQJZMWWMV-UHFFFAOYSA-N 0 0 447.494 3.499 50 5 IGBARN C[C@@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008824695 569477214 /nfs/dbraw/zinc/47/72/14/569477214.db2.gz IXRMZAOAPCFAHT-CQSZACIVSA-N 0 0 429.429 3.129 50 5 IGBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000008854724 569479621 /nfs/dbraw/zinc/47/96/21/569479621.db2.gz ZDPYMGISAFBJDY-BARSGRSVSA-N 0 0 440.484 3.274 50 5 IGBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040134232 569490526 /nfs/dbraw/zinc/49/05/26/569490526.db2.gz OGSCGABYOYZYGU-JTQLQIEISA-N 0 0 427.795 3.495 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000008980918 569494400 /nfs/dbraw/zinc/49/44/00/569494400.db2.gz HSPCARNPVFWFKZ-XLIONFOSSA-N 0 0 449.573 3.485 50 5 IGBARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245256793 569501398 /nfs/dbraw/zinc/50/13/98/569501398.db2.gz SYYZSHSUUWGNRU-SDTQGNRXSA-N 0 0 445.475 3.461 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000009125274 569504583 /nfs/dbraw/zinc/50/45/83/569504583.db2.gz BSQKZZXBQSAMCW-SNVBAGLBSA-N 0 0 438.820 3.458 50 5 IGBARN Cc1[nH]c2ccccc2c1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000009128593 569505463 /nfs/dbraw/zinc/50/54/63/569505463.db2.gz CHVWHPWXJIKDJK-UHFFFAOYSA-N 0 0 443.481 3.431 50 5 IGBARN Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-] ZINC000009140184 569507243 /nfs/dbraw/zinc/50/72/43/569507243.db2.gz ACJVWVDGFGOGHN-UHFFFAOYSA-N 0 0 438.190 3.369 50 5 IGBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)c(Cl)c1 ZINC000009227431 569513387 /nfs/dbraw/zinc/51/33/87/569513387.db2.gz JXUFHUVZUQSDRA-UHFFFAOYSA-N 0 0 432.285 3.302 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000009223201 569512892 /nfs/dbraw/zinc/51/28/92/569512892.db2.gz JGWRKEKGLQIRDK-AWEZNQCLSA-N 0 0 426.853 3.217 50 5 IGBARN C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000009364301 569525988 /nfs/dbraw/zinc/52/59/88/569525988.db2.gz QELIFPSKOLQNNX-ZDUSSCGKSA-N 0 0 426.878 3.409 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnnn1-c1ccccc1 ZINC000009465630 569538000 /nfs/dbraw/zinc/53/80/00/569538000.db2.gz VJKMELOTRNAIRI-UHFFFAOYSA-N 0 0 431.377 3.015 50 5 IGBARN Nc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000009518156 569543898 /nfs/dbraw/zinc/54/38/98/569543898.db2.gz GNXKTKLQGMOVLP-UHFFFAOYSA-N 0 0 431.861 3.458 50 5 IGBARN COc1ccc(OCCCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000009544870 569546019 /nfs/dbraw/zinc/54/60/19/569546019.db2.gz GTOBXWDXEOIQEA-UHFFFAOYSA-N 0 0 432.429 3.261 50 5 IGBARN O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009635042 569554571 /nfs/dbraw/zinc/55/45/71/569554571.db2.gz CGBUBDVMELWUME-UHFFFAOYSA-N 0 0 449.419 3.299 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186913 569578508 /nfs/dbraw/zinc/57/85/08/569578508.db2.gz SJZCXZREIRPLFI-UHFFFAOYSA-N 0 0 429.907 3.349 50 5 IGBARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010336448 569581074 /nfs/dbraw/zinc/58/10/74/569581074.db2.gz BHRORXOIBWLUJY-UHFFFAOYSA-N 0 0 428.470 3.071 50 5 IGBARN COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010336454 569581114 /nfs/dbraw/zinc/58/11/14/569581114.db2.gz STQPJOUYBIPEAQ-UHFFFAOYSA-N 0 0 428.470 3.071 50 5 IGBARN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078432532 569586591 /nfs/dbraw/zinc/58/65/91/569586591.db2.gz XGLOYMWDDJIENK-UHFFFAOYSA-N 0 0 426.776 3.100 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc21 ZINC000000811025 132231011 /nfs/dbraw/zinc/23/10/11/132231011.db2.gz KGJWXVQDGVJLCR-UHFFFAOYSA-N 0 0 437.452 3.289 50 5 IGBARN COc1cccc(CNC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000009960498 132242490 /nfs/dbraw/zinc/24/24/90/132242490.db2.gz MXXMXYPTJPLBEC-UHFFFAOYSA-N 0 0 441.484 3.313 50 5 IGBARN O=C(CCc1nc(-c2ccccc2F)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008662188 132289313 /nfs/dbraw/zinc/28/93/13/132289313.db2.gz BMZZIORRMNLNEB-UHFFFAOYSA-N 0 0 425.420 3.065 50 5 IGBARN C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000008855099 132296198 /nfs/dbraw/zinc/29/61/98/132296198.db2.gz MYHATGYCPPREHL-KRWDZBQOSA-N 0 0 432.546 3.110 50 5 IGBARN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 ZINC000009008854 132300451 /nfs/dbraw/zinc/30/04/51/132300451.db2.gz ISINZYGXSGMVFQ-KRWDZBQOSA-N 0 0 428.464 3.287 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009008246 132300474 /nfs/dbraw/zinc/30/04/74/132300474.db2.gz XEZYEHBWNYQCMN-UHFFFAOYSA-N 0 0 445.541 3.075 50 5 IGBARN CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012906768 519018551 /nfs/dbraw/zinc/01/85/51/519018551.db2.gz GXGSKEGMNQWUEP-UHFFFAOYSA-N 0 0 425.485 3.295 50 5 IGBARN CC(C)C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1Cc2ccccc2C1=O ZINC000020531354 519289338 /nfs/dbraw/zinc/28/93/38/519289338.db2.gz LGSXDYQOZYALHN-JOCHJYFZSA-N 0 0 436.512 3.314 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 ZINC000012528132 519592392 /nfs/dbraw/zinc/59/23/92/519592392.db2.gz OQTJWZGGJDDIED-JKSUJKDBSA-N 0 0 442.438 3.114 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 ZINC000012528133 519592953 /nfs/dbraw/zinc/59/29/53/519592953.db2.gz OQTJWZGGJDDIED-HOTGVXAUSA-N 0 0 442.438 3.114 50 5 IGBARN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c2O1 ZINC000012893498 520584366 /nfs/dbraw/zinc/58/43/66/520584366.db2.gz JNFYBYHFHKSPTP-UHFFFAOYSA-N 0 0 434.470 3.122 50 5 IGBARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)C(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000035869098 521364452 /nfs/dbraw/zinc/36/44/52/521364452.db2.gz SEAMSICDSRWVMR-HNNXBMFYSA-N 0 0 445.472 3.076 50 5 IGBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)c(-c2ccc3c(c2)OCO3)cn1C ZINC000023432973 521413572 /nfs/dbraw/zinc/41/35/72/521413572.db2.gz HKWUAAFGFRSWJP-UHFFFAOYSA-N 0 0 427.369 3.351 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)nn1 ZINC000015880845 521687560 /nfs/dbraw/zinc/68/75/60/521687560.db2.gz UMXXLMRPYAACEV-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000016361031 521751407 /nfs/dbraw/zinc/75/14/07/521751407.db2.gz GKOCHEISAWDNRU-UHFFFAOYSA-N 0 0 440.478 3.401 50 5 IGBARN COC(=O)c1ccc2c(c1)nc(Sc1ccc([N+](=O)[O-])cn1)n(Cc1ccco1)c2=O ZINC000012527765 522185709 /nfs/dbraw/zinc/18/57/09/522185709.db2.gz HHKLEFARMXTWIS-UHFFFAOYSA-N 0 0 438.421 3.279 50 5 IGBARN COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(C)cc1[N+](=O)[O-] ZINC000012660208 522669584 /nfs/dbraw/zinc/66/95/84/522669584.db2.gz OQMWYKJFJVUDNG-UHFFFAOYSA-N 0 0 448.892 3.268 50 5 IGBARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000001141831 522899578 /nfs/dbraw/zinc/89/95/78/522899578.db2.gz PBCKZUNMSRBXEB-UHFFFAOYSA-N 0 0 438.436 3.317 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000012624880 524470127 /nfs/dbraw/zinc/47/01/27/524470127.db2.gz MMFUZPZMPBZQBD-GOSISDBHSA-N 0 0 428.470 3.044 50 5 IGBARN Cc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000015821314 524503258 /nfs/dbraw/zinc/50/32/58/524503258.db2.gz YTCUSCVTGUQNTG-UHFFFAOYSA-N 0 0 439.493 3.415 50 5 IGBARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000021868377 525241502 /nfs/dbraw/zinc/24/15/02/525241502.db2.gz GVSQXIFXLLJVBZ-NRFANRHFSA-N 0 0 432.436 3.143 50 5 IGBARN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021129671 525886335 /nfs/dbraw/zinc/88/63/35/525886335.db2.gz FQOQHJRKENRZNZ-RYUDHWBXSA-N 0 0 449.822 3.311 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000015882755 527053180 /nfs/dbraw/zinc/05/31/80/527053180.db2.gz DFLOJEBPZMPROP-UHFFFAOYSA-N 0 0 426.454 3.012 50 5 IGBARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012592048 527186883 /nfs/dbraw/zinc/18/68/83/527186883.db2.gz CSTTYEZYKPEGCD-GOSISDBHSA-N 0 0 446.916 3.400 50 5 IGBARN O=c1c2c3c(sc2nc2c4ccccc4c(NCCCN4CCOCC4)nn12)CCCC3 ZINC000012624906 527459864 /nfs/dbraw/zinc/45/98/64/527459864.db2.gz IHJDDZTZJCUCQL-UHFFFAOYSA-N 0 0 449.580 3.470 50 5 IGBARN O=C(Nc1nc2ccccc2s1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012858910 527516463 /nfs/dbraw/zinc/51/64/63/527516463.db2.gz IXBFINXAFZLSJW-MRXNPFEDSA-N 0 0 446.510 3.386 50 5 IGBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000020340908 527636514 /nfs/dbraw/zinc/63/65/14/527636514.db2.gz SZOZUWOYHZMVLT-KPKJPENVSA-N 0 0 427.438 3.318 50 5 IGBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 ZINC000032747510 556316215 /nfs/dbraw/zinc/31/62/15/556316215.db2.gz RBOYKFXQYDOZKY-CYBMUJFWSA-N 0 0 425.363 3.372 50 5 IGBARN Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3Cc3ccccc3)c(=O)n2c1 ZINC000013464893 556506460 /nfs/dbraw/zinc/50/64/60/556506460.db2.gz NRQWHSYUBXBIFC-UHFFFAOYSA-N 0 0 439.475 3.008 50 5 IGBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736367 556657934 /nfs/dbraw/zinc/65/79/34/556657934.db2.gz OHQJZGUTAFDIPH-JJRVBVJISA-N 0 0 443.765 3.352 50 5 IGBARN CC(C)COC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013564590 556697343 /nfs/dbraw/zinc/69/73/43/556697343.db2.gz YAOJLVKSVMJFBW-SRYPRDQNSA-N 0 0 449.500 3.033 50 5 IGBARN CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000034392679 556826782 /nfs/dbraw/zinc/82/67/82/556826782.db2.gz YVXVTLGIDOACBJ-GOSISDBHSA-N 0 0 441.362 3.341 50 5 in-vitro IGBARN CSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 ZINC000020029158 556968206 /nfs/dbraw/zinc/96/82/06/556968206.db2.gz AYVWYHDQZPYMFW-UHFFFAOYSA-N 0 0 442.570 3.297 50 5 IGBARN Cc1cccc(S(=O)(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1Cl ZINC000097163895 556994170 /nfs/dbraw/zinc/99/41/70/556994170.db2.gz CKCDHEZPBFWGIT-UHFFFAOYSA-N 0 0 449.920 3.334 50 5 IGBARN COc1cccc(OC)c1OC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000048288930 557054050 /nfs/dbraw/zinc/05/40/50/557054050.db2.gz PAICFRLHWIYCHW-UHFFFAOYSA-N 0 0 429.429 3.021 50 5 IGBARN CCOCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100873680 557196421 /nfs/dbraw/zinc/19/64/21/557196421.db2.gz LJSGKYPFJBIPKU-XDOYNYLZSA-N 0 0 428.470 3.347 50 5 IGBARN CCOCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000101035726 557214479 /nfs/dbraw/zinc/21/44/79/557214479.db2.gz LVYYJMYBQMQXCZ-MRCUWXFGSA-N 0 0 431.470 3.406 50 5 IGBARN CCOCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1 ZINC000101035625 557215110 /nfs/dbraw/zinc/21/51/10/557215110.db2.gz BKKZHGNYIGKMBZ-HNENSFHCSA-N 0 0 437.499 3.467 50 5 IGBARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000024934943 557244978 /nfs/dbraw/zinc/24/49/78/557244978.db2.gz JZXDCABCVUXUQC-UHFFFAOYSA-N 0 0 432.483 3.241 50 5 IGBARN CCCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c1nc1ccccn1c2=O ZINC000101154165 557257164 /nfs/dbraw/zinc/25/71/64/557257164.db2.gz MJCHNGYKPOREJP-UHFFFAOYSA-N 0 0 433.487 3.388 50 5 IGBARN CN(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000000827507 557266328 /nfs/dbraw/zinc/26/63/28/557266328.db2.gz QEZCNYUAKNLUSY-UHFFFAOYSA-N 0 0 439.493 3.449 50 5 IGBARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000023558162 557365796 /nfs/dbraw/zinc/36/57/96/557365796.db2.gz GGYRRKUMVDJFAZ-UHFFFAOYSA-N 0 0 427.354 3.480 50 5 IGBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023561389 557366824 /nfs/dbraw/zinc/36/68/24/557366824.db2.gz LANWQHLLODMWPD-FOIQADDNSA-N 0 0 433.505 3.404 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102707719 557367220 /nfs/dbraw/zinc/36/72/20/557367220.db2.gz WBDAZJPYKCQBNH-PCCBWWKXSA-N 0 0 431.404 3.352 50 5 IGBARN O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000023846512 557376016 /nfs/dbraw/zinc/37/60/16/557376016.db2.gz YDNLMHSNDKCWJT-SFHVURJKSA-N 0 0 448.401 3.068 50 5 IGBARN O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccc([N+](=O)[O-])cc1 ZINC000100354919 557400856 /nfs/dbraw/zinc/40/08/56/557400856.db2.gz VDJYROQHBGVPDA-CJNGLKHVSA-N 0 0 434.191 3.029 50 5 IGBARN O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(O)=C12)c1ccc([N+](=O)[O-])cc1 ZINC000100354917 557400926 /nfs/dbraw/zinc/40/09/26/557400926.db2.gz VDJYROQHBGVPDA-CZUORRHYSA-N 0 0 434.191 3.029 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000103528368 557438770 /nfs/dbraw/zinc/43/87/70/557438770.db2.gz NGRVVTWGWQTRJM-NMLBUPMWSA-N 0 0 446.463 3.089 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccccc1 ZINC000000850632 557830773 /nfs/dbraw/zinc/83/07/73/557830773.db2.gz WOMSHVZDJQSXIU-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000003369516 562934988 /nfs/dbraw/zinc/93/49/88/562934988.db2.gz PDZHTLVMZXEBHV-LBPRGKRZSA-N 0 0 431.499 3.344 50 5 IGBARN COc1ccc(Cn2c(CNC(=O)Cc3cccc([N+](=O)[O-])c3)nc3cccnc32)cc1 ZINC000008600638 562955118 /nfs/dbraw/zinc/95/51/18/562955118.db2.gz FPYXVEWTANRQKE-UHFFFAOYSA-N 0 0 431.452 3.255 50 5 IGBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000008626761 562960018 /nfs/dbraw/zinc/96/00/18/562960018.db2.gz ZLHTUOLIGCGECP-UHFFFAOYSA-N 0 0 435.261 3.269 50 5 IGBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCCCC1=O ZINC000015940443 563019312 /nfs/dbraw/zinc/01/93/12/563019312.db2.gz ANWFZZYFGCSACU-ZBFHGGJFSA-N 0 0 428.894 3.155 50 5 IGBARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000971272 568647334 /nfs/dbraw/zinc/64/73/34/568647334.db2.gz HCDDZWVHQRODCH-LIKPIUCQSA-N 0 0 439.427 3.132 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059328810 568792999 /nfs/dbraw/zinc/79/29/99/568792999.db2.gz RTRAKUWHDQTGAJ-AWEZNQCLSA-N 0 0 433.486 3.276 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015549004 568797962 /nfs/dbraw/zinc/79/79/62/568797962.db2.gz PSSKNYMWTBZWQZ-INIZCTEOSA-N 0 0 448.545 3.257 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000084779649 568801291 /nfs/dbraw/zinc/80/12/91/568801291.db2.gz KXXNYCTVJBNIJF-OAHLLOKOSA-N 0 0 435.502 3.055 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 ZINC000015740603 568818628 /nfs/dbraw/zinc/81/86/28/568818628.db2.gz VEKXTNTXUWXWIN-AWEZNQCLSA-N 0 0 434.518 3.158 50 5 IGBARN O=[N+]([O-])c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1 ZINC000015746291 568818742 /nfs/dbraw/zinc/81/87/42/568818742.db2.gz HIRFAAAROUCSHV-UHFFFAOYSA-N 0 0 437.423 3.135 50 5 IGBARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000015882748 568857279 /nfs/dbraw/zinc/85/72/79/568857279.db2.gz BKGNYCJWQYDJSC-UHFFFAOYSA-N 0 0 444.451 3.260 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 ZINC000015971215 568860969 /nfs/dbraw/zinc/86/09/69/568860969.db2.gz DOFNEERPAASDCH-ZHRMCQFGSA-N 0 0 428.448 3.366 50 5 IGBARN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN2CCCC2)cc1 ZINC000016286100 568875392 /nfs/dbraw/zinc/87/53/92/568875392.db2.gz WXZCCAPOYVXSER-UHFFFAOYSA-N 0 0 440.456 3.058 50 5 IGBARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000016483507 568909909 /nfs/dbraw/zinc/90/99/09/568909909.db2.gz HNJSJCSBLHSXIO-OAQYLSRUSA-N 0 0 432.484 3.195 50 5 IGBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nnc(C2CCCCC2)s1 ZINC000001904020 568918232 /nfs/dbraw/zinc/91/82/32/568918232.db2.gz HWPRGYBWRUFFQP-UHFFFAOYSA-N 0 0 429.458 3.119 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000016520487 568920777 /nfs/dbraw/zinc/92/07/77/568920777.db2.gz MKRBGHDCHSACDH-UHFFFAOYSA-N 0 0 429.420 3.120 50 5 IGBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138563422 569000693 /nfs/dbraw/zinc/00/06/93/569000693.db2.gz GOHDMJMWXUVVEM-OKZBNKHCSA-N 0 0 447.278 3.437 50 5 IGBARN CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000036383722 569092548 /nfs/dbraw/zinc/09/25/48/569092548.db2.gz CWDAOASFGJUFDO-NRFANRHFSA-N 0 0 432.546 3.340 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1(c2ccccc2)CCC1 ZINC000009910217 569150443 /nfs/dbraw/zinc/15/04/43/569150443.db2.gz VVQARISCDSBDGH-UHFFFAOYSA-N 0 0 431.514 3.150 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc21 ZINC000010218242 569153513 /nfs/dbraw/zinc/15/35/13/569153513.db2.gz RTMMXCAKLVBZFE-UHFFFAOYSA-N 0 0 435.483 3.406 50 5 IGBARN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)OC)o2)C(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000037574870 569201349 /nfs/dbraw/zinc/20/13/49/569201349.db2.gz DPGTWFBGXBSMNC-KRWDZBQOSA-N 0 0 442.424 3.328 50 5 IGBARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc1c32 ZINC000002215952 569203561 /nfs/dbraw/zinc/20/35/61/569203561.db2.gz GJXYPWXRZMCCRP-UHFFFAOYSA-N 0 0 428.422 3.087 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000013041915 569307580 /nfs/dbraw/zinc/30/75/80/569307580.db2.gz ZPIBNNPTMONINZ-CQSZACIVSA-N 0 0 442.859 3.306 50 5 IGBARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013109418 569310264 /nfs/dbraw/zinc/31/02/64/569310264.db2.gz AQTOUKOAWXACBZ-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013135513 569311378 /nfs/dbraw/zinc/31/13/78/569311378.db2.gz OIYNCAJWGKPWIE-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000079102858 569325722 /nfs/dbraw/zinc/32/57/22/569325722.db2.gz CFGPKASEMZOWND-UHFFFAOYSA-N 0 0 426.376 3.368 50 5 IGBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000020355807 569361427 /nfs/dbraw/zinc/36/14/27/569361427.db2.gz IWFDHZQZMUREGC-UHFFFAOYSA-N 0 0 444.455 3.054 50 5 IGBARN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000095441734 569366738 /nfs/dbraw/zinc/36/67/38/569366738.db2.gz NHYKLBDMKFQCSA-UHFFFAOYSA-N 0 0 429.248 3.253 50 5 IGBARN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 ZINC000095454646 569368397 /nfs/dbraw/zinc/36/83/97/569368397.db2.gz QODOQGTWTJSVRV-CYBMUJFWSA-N 0 0 447.467 3.411 50 5 IGBARN Cn1cc([C@@H](CC(=O)NCCN2CCOCC2)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000096277376 569388757 /nfs/dbraw/zinc/38/87/57/569388757.db2.gz APDDJMRHTSDLJC-FQEVSTJZSA-N 0 0 436.512 3.057 50 5 IGBARN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002786048 569421348 /nfs/dbraw/zinc/42/13/48/569421348.db2.gz BKEJERDXTIPXIH-PZJWPPBQSA-N 0 0 447.451 3.018 50 5 IGBARN O=[N+]([O-])c1cnn(CCc2nnc(-c3cc(Br)ccc3OC(F)F)o2)c1 ZINC000002790928 569421597 /nfs/dbraw/zinc/42/15/97/569421597.db2.gz GCAJQRIVJDPPGW-UHFFFAOYSA-N 0 0 430.165 3.448 50 5 IGBARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(CCn2cc([N+](=O)[O-])cn2)o1 ZINC000002803787 569422305 /nfs/dbraw/zinc/42/23/05/569422305.db2.gz QFGLKNVNWZLLPP-QMMMGPOBSA-N 0 0 446.212 3.231 50 5 IGBARN COC(=O)c1cc(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)cc([N+](=O)[O-])c1 ZINC000002814875 569422911 /nfs/dbraw/zinc/42/29/11/569422911.db2.gz TYMGTBXKPBVSHU-UHFFFAOYSA-N 0 0 428.426 3.085 50 5 IGBARN O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000057315446 569430993 /nfs/dbraw/zinc/43/09/93/569430993.db2.gz ZUMRZDHNAOPOIU-UHFFFAOYSA-N 0 0 434.283 3.391 50 5 IGBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1I ZINC000002980850 569433732 /nfs/dbraw/zinc/43/37/32/569433732.db2.gz NAUBUSXDBLAOFZ-UHFFFAOYSA-N 0 0 445.213 3.465 50 5 IGBARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CS(=O)(=O)C3)c1C ZINC000003009520 569435079 /nfs/dbraw/zinc/43/50/79/569435079.db2.gz RPNPURAGDCPJOU-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN COc1cccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn2C)c1 ZINC000029965445 569439825 /nfs/dbraw/zinc/43/98/25/569439825.db2.gz NJXDQJIDIQPUMA-QGZVFWFLSA-N 0 0 436.877 3.058 50 5 IGBARN CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000058014549 569444979 /nfs/dbraw/zinc/44/49/79/569444979.db2.gz ZZIRVDDBIKSRIN-CYBMUJFWSA-N 0 0 433.914 3.316 50 5 IGBARN CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 ZINC000003334741 569446600 /nfs/dbraw/zinc/44/66/00/569446600.db2.gz GDHCAJCIRSRARL-UHFFFAOYSA-N 0 0 429.432 3.439 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]2CN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000058157288 569449039 /nfs/dbraw/zinc/44/90/39/569449039.db2.gz KAKQGUIAUHZEBL-GOSISDBHSA-N 0 0 432.546 3.387 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000058169906 569449213 /nfs/dbraw/zinc/44/92/13/569449213.db2.gz PAEYAXHXAFJMJU-UHFFFAOYSA-N 0 0 429.420 3.211 50 5 IGBARN Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 ZINC000058219034 569450675 /nfs/dbraw/zinc/45/06/75/569450675.db2.gz VQLYZNWGFCOCLG-UHFFFAOYSA-N 0 0 433.306 3.426 50 5 IGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000058440981 569454834 /nfs/dbraw/zinc/45/48/34/569454834.db2.gz QFJRUSWPDNBDPN-AWEZNQCLSA-N 0 0 428.514 3.416 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000058907969 569458090 /nfs/dbraw/zinc/45/80/90/569458090.db2.gz HXQXBJMNWVUBLY-WMLDXEAASA-N 0 0 430.461 3.031 50 5 IGBARN CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NC(SCc3ccccc3F)=NC2=N1 ZINC000004176572 569460633 /nfs/dbraw/zinc/46/06/33/569460633.db2.gz FGHRTZCTFFIMIA-QGZVFWFLSA-N 0 0 440.460 3.014 50 5 IGBARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000008445737 569464544 /nfs/dbraw/zinc/46/45/44/569464544.db2.gz UAVVZVVJVNZLBY-UHFFFAOYSA-N 0 0 429.458 3.042 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 ZINC000008725996 569472207 /nfs/dbraw/zinc/47/22/07/569472207.db2.gz QFVBBVHQOXWPMT-UHFFFAOYSA-N 0 0 446.529 3.396 50 5 IGBARN CNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000008747032 569473094 /nfs/dbraw/zinc/47/30/94/569473094.db2.gz RMYFLIZTXRUNBE-UHFFFAOYSA-N 0 0 432.527 3.497 50 5 IGBARN O=C1N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828034 569477695 /nfs/dbraw/zinc/47/76/95/569477695.db2.gz OSOBTAOJDNLXNR-HZPDHXFCSA-N 0 0 441.387 3.226 50 5 IGBARN C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cn1cccn1 ZINC000040118900 569489365 /nfs/dbraw/zinc/48/93/65/569489365.db2.gz IYVSLZGQGAWKHI-AWEZNQCLSA-N 0 0 439.438 3.479 50 5 IGBARN CC1CCN(S(=O)(=O)c2ccc(Nc3cnn(C[C@@H]4CCCO4)c3)c([N+](=O)[O-])c2)CC1 ZINC000040139265 569490850 /nfs/dbraw/zinc/49/08/50/569490850.db2.gz NZAWZNAKZDYQAT-KRWDZBQOSA-N 0 0 449.533 3.135 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000008980931 569494355 /nfs/dbraw/zinc/49/43/55/569494355.db2.gz HSPCARNPVFWFKZ-FXAWDEMLSA-N 0 0 449.573 3.485 50 5 IGBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1 ZINC000009233699 569513938 /nfs/dbraw/zinc/51/39/38/569513938.db2.gz LDHUAYZLDGRGGJ-HYBUGGRVSA-N 0 0 448.479 3.165 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cn2cc(Cl)ccc2n1 ZINC000009245252 569515293 /nfs/dbraw/zinc/51/52/93/569515293.db2.gz KWHTVEKCIFWCLI-UHFFFAOYSA-N 0 0 436.877 3.259 50 5 IGBARN O=C1NC(=S)NC1=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009310310 569521708 /nfs/dbraw/zinc/52/17/08/569521708.db2.gz MBDVSOXLTWOOHI-RIYZIHGNSA-N 0 0 434.271 3.282 50 5 IGBARN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000009356131 569525402 /nfs/dbraw/zinc/52/54/02/569525402.db2.gz JSWBWTJODHLOKG-LBPRGKRZSA-N 0 0 441.893 3.358 50 5 IGBARN CCS(=O)(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009373539 569527007 /nfs/dbraw/zinc/52/70/07/569527007.db2.gz OSKTWUXTJZKKBY-UHFFFAOYSA-N 0 0 439.298 3.447 50 5 IGBARN COc1cc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] ZINC000009510018 569542667 /nfs/dbraw/zinc/54/26/67/569542667.db2.gz UOYUKMPJXVXJTD-UHFFFAOYSA-N 0 0 442.346 3.491 50 5 IGBARN COc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC ZINC000009540437 569545801 /nfs/dbraw/zinc/54/58/01/569545801.db2.gz QPNRMXYXRNELDM-UHFFFAOYSA-N 0 0 426.328 3.009 50 5 IGBARN O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1C[C@H]1CCCO1 ZINC000009542093 569545918 /nfs/dbraw/zinc/54/59/18/569545918.db2.gz CLBHIVKDLXVXKG-OAHLLOKOSA-N 0 0 441.447 3.191 50 5 IGBARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000009544401 569545959 /nfs/dbraw/zinc/54/59/59/569545959.db2.gz MWYDVKLIFZGTNL-UHFFFAOYSA-N 0 0 430.413 3.065 50 5 IGBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000009589216 569549951 /nfs/dbraw/zinc/54/99/51/569549951.db2.gz JAJMLDRLCAMDGC-GOSISDBHSA-N 0 0 437.239 3.307 50 5 IGBARN C[C@H](OC(=O)CSc1ncnc2sccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009592751 569550357 /nfs/dbraw/zinc/55/03/57/569550357.db2.gz NWVCENHCZGHHIE-VIFPVBQESA-N 0 0 436.446 3.401 50 5 IGBARN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000009699590 569561272 /nfs/dbraw/zinc/56/12/72/569561272.db2.gz NSOQAIGQGDYPPD-NSHDSACASA-N 0 0 427.866 3.050 50 5 IGBARN CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009982187 569576550 /nfs/dbraw/zinc/57/65/50/569576550.db2.gz PODNBVJCJLPGCB-QHCPKHFHSA-N 0 0 438.484 3.189 50 5 IGBARN Cc1c(NC(=O)CSc2nnc(N3CCCC3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000010517764 569582692 /nfs/dbraw/zinc/58/26/92/569582692.db2.gz KVQGABLDKLSDSZ-OAHLLOKOSA-N 0 0 446.533 3.005 50 5 IGBARN CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000010517653 569582710 /nfs/dbraw/zinc/58/27/10/569582710.db2.gz PHHPGCVBMJLUFD-MRXNPFEDSA-N 0 0 428.413 3.234 50 5 IGBARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009515283 132232323 /nfs/dbraw/zinc/23/23/23/132232323.db2.gz ARZBYUNFJPMCNK-UHFFFAOYSA-N 0 0 425.470 3.126 50 5 IGBARN O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN(c2ccccc2)CC1 ZINC000009519377 132233242 /nfs/dbraw/zinc/23/32/42/132233242.db2.gz TXBYYJTZIBTRJF-UHFFFAOYSA-N 0 0 435.509 3.493 50 5 IGBARN Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)cc1[N+](=O)[O-] ZINC000010186595 132242888 /nfs/dbraw/zinc/24/28/88/132242888.db2.gz LYSQRYWXLLNFNT-UHFFFAOYSA-N 0 0 432.484 3.364 50 5 IGBARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000009511960 132319921 /nfs/dbraw/zinc/31/99/21/132319921.db2.gz SNHITICWMUMPTA-UHFFFAOYSA-N 0 0 446.529 3.396 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1NCc1ccco1 ZINC000009971641 132333385 /nfs/dbraw/zinc/33/33/85/132333385.db2.gz RIUFRJMQSYQUAM-UHFFFAOYSA-N 0 0 448.526 3.372 50 5 IGBARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1C ZINC000016320022 518233524 /nfs/dbraw/zinc/23/35/24/518233524.db2.gz GCFCJVBRCCORGV-HNNXBMFYSA-N 0 0 443.456 3.007 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000032999813 519819992 /nfs/dbraw/zinc/81/99/92/519819992.db2.gz LFJRZOLGYJLFJC-RTWAWAEBSA-N 0 0 441.528 3.497 50 5 IGBARN CCOc1c(F)cccc1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095939691 520602819 /nfs/dbraw/zinc/60/28/19/520602819.db2.gz DRNQVHGLDKVNEZ-UHFFFAOYSA-N 0 0 427.436 3.361 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000241564162 520801320 /nfs/dbraw/zinc/80/13/20/520801320.db2.gz ORYKPICNNXAJIF-APWZRJJASA-N 0 0 437.493 3.077 50 5 IGBARN CC1=Nc2nnnn2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000012604346 520827053 /nfs/dbraw/zinc/82/70/53/520827053.db2.gz ZTWQIXMVRQSCEP-KRWDZBQOSA-N 0 0 426.820 3.267 50 5 IGBARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCOC)C(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000035869097 521363676 /nfs/dbraw/zinc/36/36/76/521363676.db2.gz SEAMSICDSRWVMR-OAHLLOKOSA-N 0 0 445.472 3.076 50 5 IGBARN CC[C@@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607600 521837525 /nfs/dbraw/zinc/83/75/25/521837525.db2.gz GBPWNVQEEKNMCU-AWEZNQCLSA-N 0 0 442.442 3.270 50 5 IGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024754092 521916168 /nfs/dbraw/zinc/91/61/68/521916168.db2.gz UYMOZYCZVJZFQO-UHFFFAOYSA-N 0 0 426.425 3.252 50 5 IGBARN CNc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC000012640353 522583601 /nfs/dbraw/zinc/58/36/01/522583601.db2.gz FCWDJZFYNGYQPN-UHFFFAOYSA-N 0 0 425.441 3.143 50 5 IGBARN COc1cc([C@H]2CC(=O)Oc3n[nH]c(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC ZINC000012418703 522960289 /nfs/dbraw/zinc/96/02/89/522960289.db2.gz WDSVUAIJWNILCV-CQSZACIVSA-N 0 0 425.397 3.452 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)c(=O)oc21 ZINC000001121209 522972291 /nfs/dbraw/zinc/97/22/91/522972291.db2.gz HZDFWFRAYQUXSG-UHFFFAOYSA-N 0 0 437.452 3.289 50 5 IGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000012738058 523183754 /nfs/dbraw/zinc/18/37/54/523183754.db2.gz XAUCDNGYNLXUDB-UHFFFAOYSA-N 0 0 437.905 3.233 50 5 IGBARN CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012523318 523244734 /nfs/dbraw/zinc/24/47/34/523244734.db2.gz JOJKYJHHBOWKJJ-UHFFFAOYSA-N 0 0 437.475 3.063 50 5 IGBARN COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000012361725 524919821 /nfs/dbraw/zinc/91/98/21/524919821.db2.gz IXNZOQGGLWEGFR-NRFANRHFSA-N 0 0 443.481 3.207 50 5 IGBARN Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000012561570 525058898 /nfs/dbraw/zinc/05/88/98/525058898.db2.gz BXUPVVFFYRTOFL-OAQYLSRUSA-N 0 0 438.484 3.122 50 5 IGBARN Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000009338788 525064393 /nfs/dbraw/zinc/06/43/93/525064393.db2.gz LNUGXDAEJKMSOU-UHFFFAOYSA-N 0 0 432.502 3.128 50 5 IGBARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC000012649560 525272645 /nfs/dbraw/zinc/27/26/45/525272645.db2.gz KRCBKJYYEGVVFE-UHFFFAOYSA-N 0 0 435.849 3.333 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1F ZINC000012597820 525712367 /nfs/dbraw/zinc/71/23/67/525712367.db2.gz JFDQHAIFIKQTGX-GFCCVEGCSA-N 0 0 427.429 3.067 50 5 IGBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)ccc1Cl ZINC000020896907 525892321 /nfs/dbraw/zinc/89/23/21/525892321.db2.gz XGUXDOQUHKMIRJ-SNVBAGLBSA-N 0 0 442.255 3.490 50 5 IGBARN Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c1 ZINC000012902801 526248621 /nfs/dbraw/zinc/24/86/21/526248621.db2.gz CCTPCKMPJWSUJS-UHFFFAOYSA-N 0 0 442.515 3.045 50 5 IGBARN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)OCc1nc(COc2ccc(F)cc2)no1 ZINC000032933299 526690639 /nfs/dbraw/zinc/69/06/39/526690639.db2.gz XAVSVVSWTYBWQN-UHFFFAOYSA-N 0 0 441.375 3.179 50 5 IGBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015924484 526697496 /nfs/dbraw/zinc/69/74/96/526697496.db2.gz IGKNTZFFNPRESG-UHFFFAOYSA-N 0 0 425.445 3.066 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])s1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998290 526717378 /nfs/dbraw/zinc/71/73/78/526717378.db2.gz WGWVTWCXSOHIQW-UHFFFAOYSA-N 0 0 436.490 3.384 50 5 IGBARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012754820 526857734 /nfs/dbraw/zinc/85/77/34/526857734.db2.gz AYEZDXHZKJKLPR-KRWDZBQOSA-N 0 0 434.290 3.161 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000017976012 526915678 /nfs/dbraw/zinc/91/56/78/526915678.db2.gz RVDJWRUDDQFPFI-RTBURBONSA-N 0 0 434.404 3.090 50 5 IGBARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012754826 526993527 /nfs/dbraw/zinc/99/35/27/526993527.db2.gz AYEZDXHZKJKLPR-QGZVFWFLSA-N 0 0 434.290 3.161 50 5 IGBARN O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023382221 527151173 /nfs/dbraw/zinc/15/11/73/527151173.db2.gz PTPWDUHSXCPFEJ-LIRRHRJNSA-N 0 0 435.440 3.040 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012523290 527359205 /nfs/dbraw/zinc/35/92/05/527359205.db2.gz YHSGNZAGHMJDIA-QFIPXVFZSA-N 0 0 447.560 3.406 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000012927780 527372073 /nfs/dbraw/zinc/37/20/73/527372073.db2.gz RVVAJOGBBWYOMH-UHFFFAOYSA-N 0 0 425.573 3.447 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023108200 527392607 /nfs/dbraw/zinc/39/26/07/527392607.db2.gz URUZWOAUMSPUCM-QFIPXVFZSA-N 0 0 441.509 3.100 50 5 IGBARN CC1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)CC1 ZINC000008662264 535273738 /nfs/dbraw/zinc/27/37/38/535273738.db2.gz XCVIYPBEGLUJEJ-MJGOQNOKSA-N 0 0 436.512 3.252 50 5 IGBARN COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000008916622 536734655 /nfs/dbraw/zinc/73/46/55/536734655.db2.gz RYGLCMGHYBVGIM-UHFFFAOYSA-N 0 0 434.905 3.094 50 5 IGBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000032842220 556427644 /nfs/dbraw/zinc/42/76/44/556427644.db2.gz PKBXVPORQHCTQL-AWEZNQCLSA-N 0 0 445.859 3.031 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N(CCO)Cc1ccccc1 ZINC000072272754 556447284 /nfs/dbraw/zinc/44/72/84/556447284.db2.gz QORNLHOBOQSJFA-UHFFFAOYSA-N 0 0 433.530 3.158 50 5 IGBARN C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1 ZINC000032898822 556516796 /nfs/dbraw/zinc/51/67/96/556516796.db2.gz LUOGZPIWIARORL-MRXNPFEDSA-N 0 0 426.521 3.421 50 5 IGBARN CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)c(OC)c1 ZINC000013577092 556526827 /nfs/dbraw/zinc/52/68/27/556526827.db2.gz UKYQSEMXUUTYRD-UHFFFAOYSA-N 0 0 433.508 3.461 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000013591230 556529350 /nfs/dbraw/zinc/52/93/50/556529350.db2.gz DOFNEERPAASDCH-UTSGNWPNSA-N 0 0 428.448 3.366 50 5 IGBARN Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3CCc3ccccc3)c(=O)n2c1 ZINC000015952831 556569151 /nfs/dbraw/zinc/56/91/51/556569151.db2.gz YIYWHMSXLQQLCN-UHFFFAOYSA-N 0 0 441.535 3.352 50 5 IGBARN COc1ccc(C(=O)NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000072311521 556586548 /nfs/dbraw/zinc/58/65/48/556586548.db2.gz XEYDOCHTGUOCIF-CYBMUJFWSA-N 0 0 428.363 3.083 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1C1CCCCC1)c2=O ZINC000100627842 556635101 /nfs/dbraw/zinc/63/51/01/556635101.db2.gz BGYSXUYODRVXGF-UHFFFAOYSA-N 0 0 431.496 3.465 50 5 IGBARN CSc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398877 556640841 /nfs/dbraw/zinc/64/08/41/556640841.db2.gz RXWJAGLVDLYBFM-UHFFFAOYSA-N 0 0 434.525 3.431 50 5 IGBARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc2c3ccccc3oc(=O)c12 ZINC000011726698 556647997 /nfs/dbraw/zinc/64/79/97/556647997.db2.gz XBCBDJREPWBOOZ-UHFFFAOYSA-N 0 0 437.477 3.152 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000013624260 556703882 /nfs/dbraw/zinc/70/38/82/556703882.db2.gz KLVCZFCNRQZKKU-UTSGNWPNSA-N 0 0 428.448 3.366 50 5 IGBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812252 557029558 /nfs/dbraw/zinc/02/95/58/557029558.db2.gz HBYCPTVLDSIJPK-ZDUSSCGKSA-N 0 0 429.907 3.492 50 5 IGBARN O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 ZINC000048362292 557074247 /nfs/dbraw/zinc/07/42/47/557074247.db2.gz FBKXOGISSINOMQ-HXUWFJFHSA-N 0 0 433.468 3.194 50 5 IGBARN Cc1nn(Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)c(C)c1Br ZINC000000655543 557125099 /nfs/dbraw/zinc/12/50/99/557125099.db2.gz HXQDADFVJACCCG-UHFFFAOYSA-N 0 0 433.266 3.054 50 5 IGBARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100891647 557198649 /nfs/dbraw/zinc/19/86/49/557198649.db2.gz QKJYOWDIFZIZCD-QRVBRYPASA-N 0 0 426.860 3.092 50 5 IGBARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000014756062 557200305 /nfs/dbraw/zinc/20/03/05/557200305.db2.gz PESQUIJHARZZEO-CJNGLKHVSA-N 0 0 443.504 3.365 50 5 IGBARN CCOCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000101035538 557215003 /nfs/dbraw/zinc/21/50/03/557215003.db2.gz BSTMFWCFXAUOKX-MRCUWXFGSA-N 0 0 431.470 3.406 50 5 IGBARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174358 557245568 /nfs/dbraw/zinc/24/55/68/557245568.db2.gz SAQBRLQSBSMIFM-KRWDZBQOSA-N 0 0 429.429 3.306 50 5 IGBARN CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)O[C@@H](C)C2 ZINC000018238386 557253657 /nfs/dbraw/zinc/25/36/57/557253657.db2.gz ZWEVSLYNQNDOIR-AWEZNQCLSA-N 0 0 427.457 3.406 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000101267349 557265074 /nfs/dbraw/zinc/26/50/74/557265074.db2.gz YQJUGTBAHDYTNL-QZTJIDSGSA-N 0 0 425.416 3.467 50 5 IGBARN O=C(N/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1)c1ccccc1 ZINC000000833037 557278056 /nfs/dbraw/zinc/27/80/56/557278056.db2.gz PISMNRKRNVADFO-LTGZKZEYSA-N 0 0 447.447 3.485 50 5 IGBARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102745869 557378027 /nfs/dbraw/zinc/37/80/27/557378027.db2.gz KVIPLKNZFFKCIK-IBGZPJMESA-N 0 0 442.497 3.259 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000104798383 557461976 /nfs/dbraw/zinc/46/19/76/557461976.db2.gz VUWJJSGLFGMJAT-ZTFGCOKTSA-N 0 0 443.500 3.300 50 5 IGBARN COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC(C)C)[C@@H]2C1 ZINC000104919750 557465501 /nfs/dbraw/zinc/46/55/01/557465501.db2.gz KMVKNOOGQWZODS-KNQAVFIVSA-N 0 0 438.528 3.243 50 5 IGBARN CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=S)N(C3CC3)C2=O)[C@H]1c1ccccc1 ZINC000105804051 557510826 /nfs/dbraw/zinc/51/08/26/557510826.db2.gz UONGBQDGZLDGOL-XMSQKQJNSA-N 0 0 436.493 3.132 50 5 IGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000971735 562919797 /nfs/dbraw/zinc/91/97/97/562919797.db2.gz DUUFYPAVSPYXSB-UHFFFAOYSA-N 0 0 430.262 3.487 50 5 IGBARN CCOC(=O)N1CCC(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000013136757 562985104 /nfs/dbraw/zinc/98/51/04/562985104.db2.gz SGECOPFOXDVCSN-IAGOWNOFSA-N 0 0 444.488 3.307 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000025230466 568648857 /nfs/dbraw/zinc/64/88/57/568648857.db2.gz IOYKMXGBHKKQNA-UHFFFAOYSA-N 0 0 443.478 3.278 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1C ZINC000001077732 568654761 /nfs/dbraw/zinc/65/47/61/568654761.db2.gz XQVBKCBCERJQLJ-INIZCTEOSA-N 0 0 447.513 3.260 50 5 IGBARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001089659 568656961 /nfs/dbraw/zinc/65/69/61/568656961.db2.gz DFSULXPUACWGSZ-UHFFFAOYSA-N 0 0 448.497 3.445 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015206623 568732124 /nfs/dbraw/zinc/73/21/24/568732124.db2.gz BUXFBUILTWMCGA-UHFFFAOYSA-N 0 0 448.545 3.147 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000001359565 568781694 /nfs/dbraw/zinc/78/16/94/568781694.db2.gz QSMXJCXQZOLALN-AWEZNQCLSA-N 0 0 432.433 3.352 50 5 IGBARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 ZINC000019171559 568782345 /nfs/dbraw/zinc/78/23/45/568782345.db2.gz GOHDMJMWXUVVEM-KSZLIROESA-N 0 0 447.278 3.437 50 5 IGBARN CCOC(=O)COc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000001392336 568785326 /nfs/dbraw/zinc/78/53/26/568785326.db2.gz DUURHYDAKAXMGL-UHFFFAOYSA-N 0 0 438.227 3.486 50 5 IGBARN Cn1cc(O)c(=O)cc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000084314098 568797024 /nfs/dbraw/zinc/79/70/24/568797024.db2.gz IGFSVAFGPDXOMM-UHFFFAOYSA-N 0 0 429.816 3.375 50 5 IGBARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1 ZINC000015609903 568799482 /nfs/dbraw/zinc/79/94/82/568799482.db2.gz XNKPLTUGLQYZDF-UHFFFAOYSA-N 0 0 431.445 3.355 50 5 IGBARN Cc1cccn2c1nc1c(cc(S(=O)(=O)c3ccccc3)c(=N)n1C1CCCC1)c2=O ZINC000100633065 568838927 /nfs/dbraw/zinc/83/89/27/568838927.db2.gz JVYCSTGTBAUIRV-UHFFFAOYSA-N 0 0 434.521 3.385 50 5 IGBARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000015827982 568841109 /nfs/dbraw/zinc/84/11/09/568841109.db2.gz SLSOMFWHJQENAV-LJQANCHMSA-N 0 0 427.457 3.014 50 5 IGBARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000015832937 568842148 /nfs/dbraw/zinc/84/21/48/568842148.db2.gz JBABLNUGHIWBNM-LJQANCHMSA-N 0 0 444.469 3.183 50 5 IGBARN O=[N+]([O-])c1cccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)c1 ZINC000016293195 568875566 /nfs/dbraw/zinc/87/55/66/568875566.db2.gz GCHMJLQTFAESRK-UHFFFAOYSA-N 0 0 437.423 3.135 50 5 IGBARN NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 ZINC000016400355 568887819 /nfs/dbraw/zinc/88/78/19/568887819.db2.gz CUFBUAUQJDIWIO-UHFFFAOYSA-N 0 0 439.902 3.083 50 5 IGBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cc(Cl)ccc3OC)C[C@@H]12 ZINC000169677403 568989774 /nfs/dbraw/zinc/98/97/74/568989774.db2.gz HEJUSBYOZKGKKY-PXNSSMCTSA-N 0 0 444.919 3.260 50 5 IGBARN Cc1cccc(C(=O)OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] ZINC000013159871 569125795 /nfs/dbraw/zinc/12/57/95/569125795.db2.gz DIKUXODIPCMEJA-FQEVSTJZSA-N 0 0 428.441 3.345 50 5 IGBARN COc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000170593928 569141305 /nfs/dbraw/zinc/14/13/05/569141305.db2.gz TZAZYJNZLCLWHB-INIZCTEOSA-N 0 0 438.362 3.327 50 5 IGBARN COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])c(OC)c1OC ZINC000170596482 569142063 /nfs/dbraw/zinc/14/20/63/569142063.db2.gz XEDRUOIHEINSHD-AWEZNQCLSA-N 0 0 447.463 3.106 50 5 IGBARN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000170608089 569144908 /nfs/dbraw/zinc/14/49/08/569144908.db2.gz TYWFVVUIZQZVHS-IYBDPMFKSA-N 0 0 446.423 3.002 50 5 IGBARN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013574180 569155766 /nfs/dbraw/zinc/15/57/66/569155766.db2.gz QACNQRKXFQMKEN-UHFFFAOYSA-N 0 0 445.522 3.331 50 5 IGBARN CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1CCC ZINC000016956750 569167178 /nfs/dbraw/zinc/16/71/78/569167178.db2.gz ICQQHMIHKDXIRX-GCJKJVERSA-N 0 0 430.505 3.399 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(CO)c3ccccc3C2c2ccccc21 ZINC000027528479 569263600 /nfs/dbraw/zinc/26/36/00/569263600.db2.gz SUKDBOLEVYOVQC-QQNJPBSNSA-N 0 0 440.455 3.446 50 5 IGBARN Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000017986886 569283436 /nfs/dbraw/zinc/28/34/36/569283436.db2.gz MQTOUGPJKRLEGM-IAGOWNOFSA-N 0 0 448.431 3.399 50 5 IGBARN CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1[N+](=O)[O-] ZINC000009426884 569296201 /nfs/dbraw/zinc/29/62/01/569296201.db2.gz CEMNQPCMLJLECE-UHFFFAOYSA-N 0 0 441.469 3.157 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000009846600 569298181 /nfs/dbraw/zinc/29/81/81/569298181.db2.gz ALZCEBDACOHEDU-IBGZPJMESA-N 0 0 436.428 3.131 50 5 IGBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013000342 569306060 /nfs/dbraw/zinc/30/60/60/569306060.db2.gz NHOUNKIQUUVKKI-UHFFFAOYSA-N 0 0 441.465 3.002 50 5 IGBARN CC(C)CCn1cnc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2Cc1ccccc1 ZINC000013072448 569308769 /nfs/dbraw/zinc/30/87/69/569308769.db2.gz MILGVKYFHTVRTQ-UHFFFAOYSA-N 0 0 447.495 3.411 50 5 IGBARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000020103548 569333838 /nfs/dbraw/zinc/33/38/38/569333838.db2.gz LGYRVEIOFODPMV-HXUWFJFHSA-N 0 0 442.435 3.456 50 5 IGBARN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000096010177 569379651 /nfs/dbraw/zinc/37/96/51/569379651.db2.gz FGMXKJBOQNIGBM-HNNXBMFYSA-N 0 0 438.665 3.324 50 5 IGBARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000096277377 569388759 /nfs/dbraw/zinc/38/87/59/569388759.db2.gz APDDJMRHTSDLJC-HXUWFJFHSA-N 0 0 436.512 3.057 50 5 IGBARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000096997401 569402831 /nfs/dbraw/zinc/40/28/31/569402831.db2.gz QVXJUJYTTPWJCR-IBGZPJMESA-N 0 0 431.876 3.310 50 5 IGBARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002617420 569410411 /nfs/dbraw/zinc/41/04/11/569410411.db2.gz QWTHWCAKWXZHGV-UHFFFAOYSA-N 0 0 440.309 3.284 50 5 IGBARN O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809479 569422357 /nfs/dbraw/zinc/42/23/57/569422357.db2.gz PCOVXDZAPLGBPR-UHFFFAOYSA-N 0 0 437.847 3.385 50 5 IGBARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000002856053 569423458 /nfs/dbraw/zinc/42/34/58/569423458.db2.gz JABPNOGPUYUMEC-INIZCTEOSA-N 0 0 428.426 3.006 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)cc1 ZINC000003008557 569435108 /nfs/dbraw/zinc/43/51/08/569435108.db2.gz KDFPPBDGCRHFFP-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CS(=O)(=O)C3)c(C)c1 ZINC000003009661 569435142 /nfs/dbraw/zinc/43/51/42/569435142.db2.gz AHHUVHSNHXGSGF-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057466752 569435540 /nfs/dbraw/zinc/43/55/40/569435540.db2.gz VBFPNNNUSHVOQL-INIZCTEOSA-N 0 0 435.484 3.301 50 5 IGBARN O=C(NCc1ccccn1)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020362 569435952 /nfs/dbraw/zinc/43/59/52/569435952.db2.gz VQLIVFHYVQPFSJ-UHFFFAOYSA-N 0 0 431.857 3.406 50 5 IGBARN CC(=O)N1CCC[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000029895790 569438113 /nfs/dbraw/zinc/43/81/13/569438113.db2.gz RJRHOVKOSFUZDG-GHTZIAJQSA-N 0 0 439.468 3.385 50 5 IGBARN Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000003262028 569443320 /nfs/dbraw/zinc/44/33/20/569443320.db2.gz WONFVGMSHRNPJM-UHFFFAOYSA-N 0 0 440.239 3.122 50 5 IGBARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000058160255 569448843 /nfs/dbraw/zinc/44/88/43/569448843.db2.gz UNGSGILGSVILEO-UHFFFAOYSA-N 0 0 437.269 3.257 50 5 IGBARN CCOc1ccc(NC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1OCC ZINC000003431168 569450814 /nfs/dbraw/zinc/45/08/14/569450814.db2.gz TZYWLMMUHKPGBM-UHFFFAOYSA-N 0 0 444.473 3.319 50 5 IGBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003509125 569452908 /nfs/dbraw/zinc/45/29/08/569452908.db2.gz NMFYECAUMCEKNJ-UHFFFAOYSA-N 0 0 439.862 3.024 50 5 IGBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000031744170 569457206 /nfs/dbraw/zinc/45/72/06/569457206.db2.gz CWBBGMBHMGXPIV-UHFFFAOYSA-N 0 0 443.213 3.452 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(-c2ccco2)no1 ZINC000058907911 569458044 /nfs/dbraw/zinc/45/80/44/569458044.db2.gz VICFUQFWSDIBSB-UHFFFAOYSA-N 0 0 425.357 3.179 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004157418 569460466 /nfs/dbraw/zinc/46/04/66/569460466.db2.gz XJACHFFQDNQMHZ-GQSCTRQFSA-N 0 0 448.431 3.170 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004157385 569460476 /nfs/dbraw/zinc/46/04/76/569460476.db2.gz CLOUJLCDLCKLFV-RWFYYTQISA-N 0 0 448.431 3.170 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21 ZINC000229858307 569461946 /nfs/dbraw/zinc/46/19/46/569461946.db2.gz IOOAFZCJSSRLCE-YRPNKDGESA-N 0 0 446.463 3.089 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000008449441 569464545 /nfs/dbraw/zinc/46/45/45/569464545.db2.gz LMPLCZLZKDYKHQ-GQSCTRQFSA-N 0 0 448.431 3.170 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(OC)c2[N+](=O)[O-])N3)C1 ZINC000008920771 569486530 /nfs/dbraw/zinc/48/65/30/569486530.db2.gz NWNJBZWPUTZAES-MRXNPFEDSA-N 0 0 448.457 3.314 50 5 IGBARN COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C(F)(F)F)c1 ZINC000040121820 569489563 /nfs/dbraw/zinc/48/95/63/569489563.db2.gz OTLUXZVNWFYVAP-UHFFFAOYSA-N 0 0 425.367 3.371 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2ccccc2)no1 ZINC000009054690 569498911 /nfs/dbraw/zinc/49/89/11/569498911.db2.gz BNPKLNCRLFFLOP-UHFFFAOYSA-N 0 0 430.442 3.008 50 5 IGBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009144432 569507308 /nfs/dbraw/zinc/50/73/08/569507308.db2.gz KAZHBJBPWSGGBG-UHFFFAOYSA-N 0 0 430.895 3.132 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)o2)c([N+](=O)[O-])c1 ZINC000009252393 569516011 /nfs/dbraw/zinc/51/60/11/569516011.db2.gz NNPIACPEHYIUSO-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000009295513 569520340 /nfs/dbraw/zinc/52/03/40/569520340.db2.gz VHUKCVQEIMQASY-MNDMWVCDSA-N 0 0 431.445 3.134 50 5 IGBARN COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009357952 569525607 /nfs/dbraw/zinc/52/56/07/569525607.db2.gz FGVZXIXKJOHUSK-HNNXBMFYSA-N 0 0 438.889 3.086 50 5 IGBARN Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009403717 569529536 /nfs/dbraw/zinc/52/95/36/569529536.db2.gz RSXVMBLPQRQAKD-UHFFFAOYSA-N 0 0 436.346 3.454 50 5 IGBARN CN1C2=C(C(=O)N(c3ccc(Br)cc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000009430460 569533946 /nfs/dbraw/zinc/53/39/46/569533946.db2.gz XRCALDUFKDBYDZ-KRWDZBQOSA-N 0 0 443.257 3.354 50 5 IGBARN CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000009439691 569535056 /nfs/dbraw/zinc/53/50/56/569535056.db2.gz KQAIGZLYSJMFPJ-UHFFFAOYSA-N 0 0 425.894 3.425 50 5 IGBARN CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000009507460 569542058 /nfs/dbraw/zinc/54/20/58/569542058.db2.gz KQBXPRAXZJTELI-UHFFFAOYSA-N 0 0 434.880 3.464 50 5 IGBARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000009584831 569549419 /nfs/dbraw/zinc/54/94/19/569549419.db2.gz MWKMOUTUWQFELP-UHFFFAOYSA-N 0 0 443.953 3.345 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)nn1 ZINC000009626914 569553562 /nfs/dbraw/zinc/55/35/62/569553562.db2.gz OYRWGSKLUKNGNF-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C ZINC000009630713 569553646 /nfs/dbraw/zinc/55/36/46/569553646.db2.gz UXONALWDUHMXKC-UHFFFAOYSA-N 0 0 443.456 3.356 50 5 IGBARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000009660333 569556750 /nfs/dbraw/zinc/55/67/50/569556750.db2.gz FHMWUKYXPHMTHN-UHFFFAOYSA-N 0 0 441.400 3.150 50 5 IGBARN Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000009662631 569557165 /nfs/dbraw/zinc/55/71/65/569557165.db2.gz QOGOPFMJFGZNLC-UHFFFAOYSA-N 0 0 427.457 3.112 50 5 IGBARN COc1ccccc1NC(=O)CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn21 ZINC000009829062 569569908 /nfs/dbraw/zinc/56/99/08/569569908.db2.gz QHKXIVMQGKVEFD-UHFFFAOYSA-N 0 0 436.453 3.439 50 5 IGBARN COc1cccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn32)c1 ZINC000009829063 569569929 /nfs/dbraw/zinc/56/99/29/569569929.db2.gz ZXXMZQQLDITRDO-UHFFFAOYSA-N 0 0 436.453 3.439 50 5 IGBARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000010187229 569578577 /nfs/dbraw/zinc/57/85/77/569578577.db2.gz ASQDRFCUWNNNEP-GFCCVEGCSA-N 0 0 445.906 3.110 50 5 IGBARN Cc1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000000653576 193873551 /nfs/dbraw/zinc/87/35/51/193873551.db2.gz ZZZXJIMGMZNNAV-SFHVURJKSA-N 0 0 445.325 3.496 50 5 IGBARN COc1ccccc1N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1 ZINC000002965726 132259740 /nfs/dbraw/zinc/25/97/40/132259740.db2.gz HRWHBOQPNNXHGR-UHFFFAOYSA-N 0 0 448.910 3.472 50 5 IGBARN CCCCc1nn2c(nc(N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)cc2=O)s1 ZINC000005946683 132275710 /nfs/dbraw/zinc/27/57/10/132275710.db2.gz JQCVSCWLIXKBHK-UHFFFAOYSA-N 0 0 448.936 3.382 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ncccc12 ZINC000008916677 132298013 /nfs/dbraw/zinc/29/80/13/132298013.db2.gz YXYQONJSBWQZRA-UHFFFAOYSA-N 0 0 432.889 3.307 50 5 IGBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009008841 132300409 /nfs/dbraw/zinc/30/04/09/132300409.db2.gz MBTWNFNHVVVXDF-GFCCVEGCSA-N 0 0 440.865 3.056 50 5 IGBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000009208752 132308612 /nfs/dbraw/zinc/30/86/12/132308612.db2.gz RDZAVAKNPGVDPM-ZDUSSCGKSA-N 0 0 438.406 3.468 50 5 IGBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1C1CCCCC1 ZINC000009240793 132310339 /nfs/dbraw/zinc/31/03/39/132310339.db2.gz MYVMCYHPBXIZEG-AUSIDOKSSA-N 0 0 440.500 3.297 50 5 IGBARN CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000009434979 132317467 /nfs/dbraw/zinc/31/74/67/132317467.db2.gz PWUQXQPAEXLTPK-UHFFFAOYSA-N 0 0 428.514 3.221 50 5 IGBARN Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)nc2c3ccccc3oc(=O)c12 ZINC000009561607 132321547 /nfs/dbraw/zinc/32/15/47/132321547.db2.gz INSKMUKURSUETR-UHFFFAOYSA-N 0 0 428.492 3.410 50 5 IGBARN CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000009846625 132330012 /nfs/dbraw/zinc/33/00/12/132330012.db2.gz KIRHDAVSZBKJKY-UHFFFAOYSA-N 0 0 448.932 3.484 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000012590570 519593266 /nfs/dbraw/zinc/59/32/66/519593266.db2.gz GLSZFJVSPZEMPU-CQSZACIVSA-N 0 0 430.892 3.408 50 5 IGBARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021090807 519638605 /nfs/dbraw/zinc/63/86/05/519638605.db2.gz KHFYBFSWLMBSDX-QGZVFWFLSA-N 0 0 434.202 3.325 50 5 IGBARN CCOC(=O)CCN(Cc1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020665132 520677397 /nfs/dbraw/zinc/67/73/97/520677397.db2.gz UWHFRSBMWRKPTM-UHFFFAOYSA-N 0 0 426.878 3.392 50 5 IGBARN COC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])c1 ZINC000022222712 522142577 /nfs/dbraw/zinc/14/25/77/522142577.db2.gz PTXGGZRLMDQXHN-UHFFFAOYSA-N 0 0 427.182 3.301 50 5 IGBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1OC ZINC000017096443 523261566 /nfs/dbraw/zinc/26/15/66/523261566.db2.gz VAIXYZKMFOPABE-UHFFFAOYSA-N 0 0 429.458 3.138 50 5 IGBARN C[C@H](Cn1ccnc1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000040088282 524783753 /nfs/dbraw/zinc/78/37/53/524783753.db2.gz DOAFOZYXIAJULB-CYBMUJFWSA-N 0 0 425.411 3.231 50 5 IGBARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 ZINC000015934646 525245410 /nfs/dbraw/zinc/24/54/10/525245410.db2.gz QZSARQDVUCHZBL-UHFFFAOYSA-N 0 0 426.454 3.480 50 5 IGBARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000021868381 525406165 /nfs/dbraw/zinc/40/61/65/525406165.db2.gz GVSQXIFXLLJVBZ-OAQYLSRUSA-N 0 0 432.436 3.143 50 5 IGBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1Cl ZINC000012597681 525712678 /nfs/dbraw/zinc/71/26/78/525712678.db2.gz NNWFFNDOJVDCEM-CYBMUJFWSA-N 0 0 425.894 3.442 50 5 IGBARN Cc1c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] ZINC000012857756 525834276 /nfs/dbraw/zinc/83/42/76/525834276.db2.gz CSWNPZGKZYATPA-UHFFFAOYSA-N 0 0 437.422 3.468 50 5 IGBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012783952 526681166 /nfs/dbraw/zinc/68/11/66/526681166.db2.gz GNVWYJXWWUOZDR-UHFFFAOYSA-N 0 0 433.877 3.318 50 5 IGBARN O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000002318324 527186444 /nfs/dbraw/zinc/18/64/44/527186444.db2.gz UQWSOOSKVWVFLY-CQSZACIVSA-N 0 0 430.467 3.067 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2nonc21 ZINC000020615350 527362079 /nfs/dbraw/zinc/36/20/79/527362079.db2.gz DUOULSCVLXOXDB-UHFFFAOYSA-N 0 0 438.322 3.385 50 5 IGBARN C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O ZINC000003781738 555946570 /nfs/dbraw/zinc/94/65/70/555946570.db2.gz UIARLYUEJFELEN-LROUJFHJSA-N 0 0 439.471 3.474 50 5 world IGBARN CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032860281 556447100 /nfs/dbraw/zinc/44/71/00/556447100.db2.gz GWDYBJABHFCLKI-CYBMUJFWSA-N 0 0 435.864 3.218 50 5 IGBARN CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032860282 556447272 /nfs/dbraw/zinc/44/72/72/556447272.db2.gz GWDYBJABHFCLKI-ZDUSSCGKSA-N 0 0 435.864 3.218 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1cnn(-c2ccccc2)c1 ZINC000032891533 556519134 /nfs/dbraw/zinc/51/91/34/556519134.db2.gz QQAQETWBNBOGLE-UHFFFAOYSA-N 0 0 441.513 3.220 50 5 IGBARN Cc1c(F)cc(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000072303740 556548237 /nfs/dbraw/zinc/54/82/37/556548237.db2.gz DXKAJFZSPPFVIU-UHFFFAOYSA-N 0 0 430.841 3.371 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NCCCN2CCOCC2)c(C)c1 ZINC000033012200 556660686 /nfs/dbraw/zinc/66/06/86/556660686.db2.gz XFRCMYOSPFYCEI-UHFFFAOYSA-N 0 0 448.545 3.147 50 5 IGBARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033920128 556731406 /nfs/dbraw/zinc/73/14/06/556731406.db2.gz YAOJLVKSVMJFBW-VAWZGJIGSA-N 0 0 449.500 3.033 50 5 IGBARN O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013881477 556748406 /nfs/dbraw/zinc/74/84/06/556748406.db2.gz DMICTWXCJHMGHV-UHFFFAOYSA-N 0 0 428.239 3.388 50 5 IGBARN COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1OC(F)F ZINC000023009360 556842970 /nfs/dbraw/zinc/84/29/70/556842970.db2.gz MQAAZWAJCUEXIS-UHFFFAOYSA-N 0 0 438.383 3.398 50 5 IGBARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000013946286 556974301 /nfs/dbraw/zinc/97/43/01/556974301.db2.gz JWZWJMDEOUBTIG-UHFFFAOYSA-N 0 0 442.497 3.499 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732516 556980704 /nfs/dbraw/zinc/98/07/04/556980704.db2.gz KLVCZFCNRQZKKU-JLGINSKQSA-N 0 0 428.448 3.366 50 5 IGBARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000010701659 557019721 /nfs/dbraw/zinc/01/97/21/557019721.db2.gz PDBOROIVHLUPHG-UHFFFAOYSA-N 0 0 439.472 3.228 50 5 IGBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023154946 557027747 /nfs/dbraw/zinc/02/77/47/557027747.db2.gz IXQAGSAANIGYKR-QFIPXVFZSA-N 0 0 442.491 3.137 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCN1CCOCC1)C1CCCC1 ZINC000048290577 557055033 /nfs/dbraw/zinc/05/50/33/557055033.db2.gz VHVBNJSEYWFDOZ-UHFFFAOYSA-N 0 0 433.552 3.258 50 5 IGBARN CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000048326286 557065370 /nfs/dbraw/zinc/06/53/70/557065370.db2.gz ZXNIDVCDTIZJFR-BBWFWOEESA-N 0 0 425.551 3.267 50 5 IGBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1CCCN1CCOCC1 ZINC000023409214 557091067 /nfs/dbraw/zinc/09/10/67/557091067.db2.gz NOPQAGBBKXSBQH-UHFFFAOYSA-N 0 0 440.525 3.319 50 5 IGBARN COc1ccccc1N(CCC(N)=O)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000024831646 557165340 /nfs/dbraw/zinc/16/53/40/557165340.db2.gz YHMKBFLTYUDYQL-UHFFFAOYSA-N 0 0 440.500 3.362 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000014239630 557327741 /nfs/dbraw/zinc/32/77/41/557327741.db2.gz MURSDDJRLHSPON-UHFFFAOYSA-N 0 0 430.313 3.408 50 5 IGBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12)N1CCSCC1 ZINC000104915699 557464362 /nfs/dbraw/zinc/46/43/62/557464362.db2.gz FRCHUXRQHQSRHN-IFMALSPDSA-N 0 0 438.553 3.038 50 5 IGBARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc3cccnc32)c1 ZINC000047146528 557518029 /nfs/dbraw/zinc/51/80/29/557518029.db2.gz OEKYTZVBBDIWSW-UHFFFAOYSA-N 0 0 437.481 3.175 50 5 IGBARN CNS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000024988347 557807029 /nfs/dbraw/zinc/80/70/29/557807029.db2.gz ALDYIQSWGHFNRZ-UHFFFAOYSA-N 0 0 431.499 3.112 50 5 IGBARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024988619 557830012 /nfs/dbraw/zinc/83/00/12/557830012.db2.gz DLHUCZGDWCRYDL-HNNXBMFYSA-N 0 0 449.916 3.238 50 5 IGBARN O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000025008840 557831792 /nfs/dbraw/zinc/83/17/92/557831792.db2.gz FTOUDCCNCPPEKT-UHFFFAOYSA-N 0 0 444.438 3.071 50 5 IGBARN CCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1 ZINC000002845527 562930287 /nfs/dbraw/zinc/93/02/87/562930287.db2.gz KMTLJRVAEHGFMD-UHFFFAOYSA-N 0 0 433.420 3.238 50 5 aggregator IGBARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000009053820 562966777 /nfs/dbraw/zinc/96/67/77/562966777.db2.gz IXCXKTJQLRBPDE-CVEARBPZSA-N 0 0 447.513 3.024 50 5 IGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000018994152 568631310 /nfs/dbraw/zinc/63/13/10/568631310.db2.gz MBFVQNVZRMECKD-UHFFFAOYSA-N 0 0 444.509 3.228 50 5 IGBARN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1cccc2nsnc21 ZINC000019078298 568638042 /nfs/dbraw/zinc/63/80/42/568638042.db2.gz CSCXOLISYCVSKB-UHFFFAOYSA-N 0 0 437.231 3.158 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000001049405 568653963 /nfs/dbraw/zinc/65/39/63/568653963.db2.gz DNLHATKWALJOSA-UHFFFAOYSA-N 0 0 448.284 3.315 50 5 IGBARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000001074509 568654728 /nfs/dbraw/zinc/65/47/28/568654728.db2.gz IINQIUSJVLFIFN-UHFFFAOYSA-N 0 0 441.513 3.366 50 5 IGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1 ZINC000001073229 568657681 /nfs/dbraw/zinc/65/76/81/568657681.db2.gz HFKHGZYXVQPCOU-UHFFFAOYSA-N 0 0 437.172 3.424 50 5 IGBARN CN1OC[C@@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000034738619 568737538 /nfs/dbraw/zinc/73/75/38/568737538.db2.gz XHOIVMYTQUIHTM-IAGOWNOFSA-N 0 0 445.419 3.020 50 5 IGBARN COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=S)N2C)cc2c1OCO2 ZINC000034915808 568739554 /nfs/dbraw/zinc/73/95/54/568739554.db2.gz INRPWTOTFCDVLI-VIZOYTHASA-N 0 0 427.438 3.245 50 5 IGBARN Cc1cc(=O)c(C(=O)Nc2ccnc(-c3ccccc3)n2)nn1-c1ccccc1[N+](=O)[O-] ZINC000084072181 568791509 /nfs/dbraw/zinc/79/15/09/568791509.db2.gz YZZKJKIOFKXTSH-UHFFFAOYSA-N 0 0 428.408 3.158 50 5 IGBARN CC(=O)Oc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c(OC(C)=O)c1 ZINC000001515649 568839616 /nfs/dbraw/zinc/83/96/16/568839616.db2.gz VHKKUMMSASDARP-IDUWFGFVSA-N 0 0 444.783 3.443 50 5 IGBARN CCN(CC)S(=O)(=O)c1cccc(C2N=NC(=S)N2c2ccc([N+](=O)[O-])cc2)c1 ZINC000006146743 568845196 /nfs/dbraw/zinc/84/51/96/568845196.db2.gz FTJCEMDTXLKLPT-UHFFFAOYSA-N 0 0 433.515 3.162 50 5 IGBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000016045623 568867989 /nfs/dbraw/zinc/86/79/89/568867989.db2.gz VPXDKLKXAXHASZ-MRXNPFEDSA-N 0 0 430.461 3.460 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016381682 568886372 /nfs/dbraw/zinc/88/63/72/568886372.db2.gz VNYRAHKWZBGQAV-UHFFFAOYSA-N 0 0 429.454 3.016 50 5 IGBARN CCOC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 ZINC000016447471 568902546 /nfs/dbraw/zinc/90/25/46/568902546.db2.gz GWIPRPZDNCOIOW-KRWDZBQOSA-N 0 0 430.457 3.067 50 5 IGBARN CCOC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 ZINC000016447473 568902788 /nfs/dbraw/zinc/90/27/88/568902788.db2.gz GWIPRPZDNCOIOW-QGZVFWFLSA-N 0 0 430.457 3.067 50 5 IGBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cc(Cl)ccc3OC)C[C@@H]12 ZINC000169677402 568989659 /nfs/dbraw/zinc/98/96/59/568989659.db2.gz HEJUSBYOZKGKKY-XLIONFOSSA-N 0 0 444.919 3.260 50 5 IGBARN COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@]32CSC(=O)N2)cc1OC ZINC000016768107 569161385 /nfs/dbraw/zinc/16/13/85/569161385.db2.gz WFDBUFCDVRPJEF-MGPUTAFESA-N 0 0 442.453 3.266 50 5 IGBARN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000002078629 569172269 /nfs/dbraw/zinc/17/22/69/569172269.db2.gz NVQWPHHPVPTVDN-UHFFFAOYSA-N 0 0 446.510 3.332 50 5 IGBARN COc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(C[C@H]2CCCO2)c3=O)cc1 ZINC000002258105 569215455 /nfs/dbraw/zinc/21/54/55/569215455.db2.gz POKCOEHBFIRZHG-QGZVFWFLSA-N 0 0 427.464 3.471 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000043730793 569257873 /nfs/dbraw/zinc/25/78/73/569257873.db2.gz SVKPQABTYLBYBG-JKHABCDFSA-N 0 0 428.448 3.366 50 5 IGBARN O=C(CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253429057 569267659 /nfs/dbraw/zinc/26/76/59/569267659.db2.gz MGXNBJCFFSQUSS-INIZCTEOSA-N 0 0 445.907 3.335 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000008767338 569290278 /nfs/dbraw/zinc/29/02/78/569290278.db2.gz WKESRGZKGZNWSI-UHFFFAOYSA-N 0 0 434.211 3.009 50 5 IGBARN CC(C)c1ccc(CNc2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])cc1 ZINC000008781015 569290550 /nfs/dbraw/zinc/29/05/50/569290550.db2.gz SBVATGUJBUMCLS-UHFFFAOYSA-N 0 0 432.546 3.412 50 5 IGBARN Cc1nccn1CCCNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000225422695 569299662 /nfs/dbraw/zinc/29/96/62/569299662.db2.gz OCLHVIGFZMQZMP-UHFFFAOYSA-N 0 0 435.550 3.459 50 5 IGBARN COc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] ZINC000012991709 569305949 /nfs/dbraw/zinc/30/59/49/569305949.db2.gz MHECWPLRXHJHGN-HXUWFJFHSA-N 0 0 436.486 3.440 50 5 IGBARN CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000018217954 569316046 /nfs/dbraw/zinc/31/60/46/569316046.db2.gz GRSMBQRPAXEJKJ-UHFFFAOYSA-N 0 0 429.502 3.122 50 5 IGBARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cccnc12 ZINC000020103873 569334095 /nfs/dbraw/zinc/33/40/95/569334095.db2.gz DEEXVKSNKFKDTJ-UHFFFAOYSA-N 0 0 442.497 3.053 50 5 IGBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1I ZINC000096190099 569386219 /nfs/dbraw/zinc/38/62/19/569386219.db2.gz PUYKPDZRIRTPDT-UHFFFAOYSA-N 0 0 445.213 3.465 50 5 IGBARN Cc1nc(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096316933 569392990 /nfs/dbraw/zinc/39/29/90/569392990.db2.gz QXDRLJCWFMVZOS-UHFFFAOYSA-N 0 0 426.521 3.211 50 5 IGBARN COc1ccc(Oc2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc([N+](=O)[O-])c2)cc1 ZINC000002808107 569422421 /nfs/dbraw/zinc/42/24/21/569422421.db2.gz IDPYTTUKKPRKFS-CQSZACIVSA-N 0 0 449.485 3.006 50 5 IGBARN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000002873625 569423854 /nfs/dbraw/zinc/42/38/54/569423854.db2.gz CCHVJSYTBLVXNW-ZDUSSCGKSA-N 0 0 425.470 3.189 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000030497061 569442864 /nfs/dbraw/zinc/44/28/64/569442864.db2.gz MACPPWRBAOTMKS-INIZCTEOSA-N 0 0 434.470 3.291 50 5 IGBARN O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000030902147 569450800 /nfs/dbraw/zinc/45/08/00/569450800.db2.gz VDUCHJADHZJDLG-FQEVSTJZSA-N 0 0 442.435 3.456 50 5 IGBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cn2ccsc2n1 ZINC000058305340 569452760 /nfs/dbraw/zinc/45/27/60/569452760.db2.gz VOCOLGLRVNZECX-HNNXBMFYSA-N 0 0 435.893 3.028 50 5 IGBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000058440982 569454851 /nfs/dbraw/zinc/45/48/51/569454851.db2.gz QFJRUSWPDNBDPN-CQSZACIVSA-N 0 0 428.514 3.416 50 5 IGBARN CC(=O)Nc1nonc1N1C(=N)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000003868486 569456725 /nfs/dbraw/zinc/45/67/25/569456725.db2.gz YBCWVUNCHGOQDK-JJUMJEJVSA-N 0 0 440.397 3.252 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004111602 569459384 /nfs/dbraw/zinc/45/93/84/569459384.db2.gz KJUOOIWMFCZXRI-JFNLIGNMSA-N 0 0 449.500 3.318 50 5 IGBARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000008445738 569464518 /nfs/dbraw/zinc/46/45/18/569464518.db2.gz IADGOTLAVCMVFA-UHFFFAOYSA-N 0 0 429.458 3.042 50 5 IGBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000008868268 569480405 /nfs/dbraw/zinc/48/04/05/569480405.db2.gz NAZNEZJZKGBRBN-OAHLLOKOSA-N 0 0 442.877 3.230 50 5 IGBARN O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000040060983 569484879 /nfs/dbraw/zinc/48/48/79/569484879.db2.gz SRDLXGVCYFKVFY-UHFFFAOYSA-N 0 0 430.486 3.471 50 5 IGBARN C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cn1cccn1 ZINC000040118901 569489339 /nfs/dbraw/zinc/48/93/39/569489339.db2.gz IYVSLZGQGAWKHI-CQSZACIVSA-N 0 0 439.438 3.479 50 5 IGBARN O=[N+]([O-])c1ccc2nc(N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)ccc2c1 ZINC000040153602 569493639 /nfs/dbraw/zinc/49/36/39/569493639.db2.gz YXPYKMDSLGDYGV-UHFFFAOYSA-N 0 0 430.461 3.229 50 5 IGBARN Cc1ccc(P(=Nc2cc([N+](=O)[O-])ccc2C)(N2CCOCC2)N2CCOCC2)n1C ZINC000009090591 569501104 /nfs/dbraw/zinc/50/11/04/569501104.db2.gz UHDDRZPNQQKJCV-UHFFFAOYSA-N 0 0 447.476 3.203 50 5 IGBARN O=c1c2cc(Br)cc(Br)c2oc2nc3n(c(=O)c12)CCS3 ZINC000009108994 569501917 /nfs/dbraw/zinc/50/19/17/569501917.db2.gz ZBFSITYPZRWOCD-UHFFFAOYSA-N 0 0 430.077 3.134 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325261 569503322 /nfs/dbraw/zinc/50/33/22/569503322.db2.gz DNKZQXNZKRSEHO-FOZYCNAUSA-N 0 0 434.452 3.230 50 5 IGBARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000009119443 569503517 /nfs/dbraw/zinc/50/35/17/569503517.db2.gz BMEOUVDAGGFPRW-INIZCTEOSA-N 0 0 425.441 3.000 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)o1 ZINC000009252394 569516030 /nfs/dbraw/zinc/51/60/30/569516030.db2.gz LKMRLDCLZGNUCU-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN CNS(=O)(=O)c1ccc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])c1 ZINC000009462662 569537314 /nfs/dbraw/zinc/53/73/14/569537314.db2.gz OQTKMBLBBYJVEA-UHFFFAOYSA-N 0 0 447.513 3.198 50 5 IGBARN Cn1cnnc1Sc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000009466129 569538117 /nfs/dbraw/zinc/53/81/17/569538117.db2.gz SBYYAOHBESVLCS-UHFFFAOYSA-N 0 0 438.425 3.282 50 5 IGBARN Cn1c(=O)c2c(SCc3cccc([N+](=O)[O-])c3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000009517477 569543618 /nfs/dbraw/zinc/54/36/18/569543618.db2.gz WUQGYRXASYIRPE-UHFFFAOYSA-N 0 0 441.513 3.275 50 5 IGBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000009589215 569549975 /nfs/dbraw/zinc/54/99/75/569549975.db2.gz JAJMLDRLCAMDGC-SFHVURJKSA-N 0 0 437.239 3.307 50 5 IGBARN C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000009745460 569565641 /nfs/dbraw/zinc/56/56/41/569565641.db2.gz FVBPBUVRGAINIA-SNVBAGLBSA-N 0 0 425.417 3.203 50 5 IGBARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000010185172 569578277 /nfs/dbraw/zinc/57/82/77/569578277.db2.gz LBOXBSLRLVSSHE-CYBMUJFWSA-N 0 0 428.445 3.178 50 5 IGBARN CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009980965 132242750 /nfs/dbraw/zinc/24/27/50/132242750.db2.gz FARLMDXXHNSOBO-UHFFFAOYSA-N 0 0 428.441 3.390 50 5 IGBARN O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000004144144 132270839 /nfs/dbraw/zinc/27/08/39/132270839.db2.gz HSEVOGCGAIHSOE-UHFFFAOYSA-N 0 0 430.892 3.047 50 5 IGBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000004162532 132270846 /nfs/dbraw/zinc/27/08/46/132270846.db2.gz PHCKSQDWFOMUGX-GOSISDBHSA-N 0 0 444.557 3.485 50 5 IGBARN O=C(NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000008626609 132288829 /nfs/dbraw/zinc/28/88/29/132288829.db2.gz NDOPBJALGCKDCN-UHFFFAOYSA-N 0 0 440.353 3.425 50 5 IGBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000009123006 132305029 /nfs/dbraw/zinc/30/50/29/132305029.db2.gz KFFPHOXYTVQCGS-ZNSVGSLASA-N 0 0 448.479 3.021 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000009313198 132313609 /nfs/dbraw/zinc/31/36/09/132313609.db2.gz OIORLXPSOMXBAL-UHFFFAOYSA-N 0 0 433.383 3.264 50 5 IGBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000009509699 132319842 /nfs/dbraw/zinc/31/98/42/132319842.db2.gz KWRDHWOUIBJXDL-UHFFFAOYSA-N 0 0 446.529 3.396 50 5 IGBARN COc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000009721005 132327453 /nfs/dbraw/zinc/32/74/53/132327453.db2.gz OPWZBHVRNXGYJF-UHFFFAOYSA-N 0 0 427.482 3.268 50 5 IGBARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000012379737 519735026 /nfs/dbraw/zinc/73/50/26/519735026.db2.gz JKWWOYQFKAURNB-UHFFFAOYSA-N 0 0 441.469 3.252 50 5 IGBARN CC(=O)Oc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000012364663 519759773 /nfs/dbraw/zinc/75/97/73/519759773.db2.gz SGLVTEUAESZBDH-UHFFFAOYSA-N 0 0 427.442 3.046 50 5 IGBARN CCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C ZINC000012522459 521620400 /nfs/dbraw/zinc/62/04/00/521620400.db2.gz RPQPUQUOWBUUOW-UHFFFAOYSA-N 0 0 429.473 3.299 50 5 IGBARN COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016045555 523357864 /nfs/dbraw/zinc/35/78/64/523357864.db2.gz LYCMKWFJGWKFSY-JTQLQIEISA-N 0 0 434.865 3.352 50 5 IGBARN CC[C@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607601 523775601 /nfs/dbraw/zinc/77/56/01/523775601.db2.gz GBPWNVQEEKNMCU-CQSZACIVSA-N 0 0 442.442 3.270 50 5 IGBARN COc1ccc(CCN(C)c2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1OC ZINC000020740707 523940806 /nfs/dbraw/zinc/94/08/06/523940806.db2.gz QSZLQJWLOINNCU-UHFFFAOYSA-N 0 0 427.457 3.334 50 5 IGBARN C[C@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F ZINC000012418095 524666352 /nfs/dbraw/zinc/66/63/52/524666352.db2.gz FCMXHQXIHXQTBS-HNNXBMFYSA-N 0 0 446.454 3.061 50 5 IGBARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000012818200 524912769 /nfs/dbraw/zinc/91/27/69/524912769.db2.gz GTCIUTZLCYZILU-GOSISDBHSA-N 0 0 427.457 3.014 50 5 IGBARN Cc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012564013 525119490 /nfs/dbraw/zinc/11/94/90/525119490.db2.gz NAZUGGILSROTLY-UHFFFAOYSA-N 0 0 433.512 3.232 50 5 IGBARN CSc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000012762813 525966934 /nfs/dbraw/zinc/96/69/34/525966934.db2.gz LOZMZFQHQYDLMN-UHFFFAOYSA-N 0 0 449.554 3.421 50 5 IGBARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014470749 526442788 /nfs/dbraw/zinc/44/27/88/526442788.db2.gz PRJQCFLRDNFRAU-UHFFFAOYSA-N 0 0 443.389 3.310 50 5 IGBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000022907603 526493920 /nfs/dbraw/zinc/49/39/20/526493920.db2.gz ZSJUETKXLNTFAU-FQEVSTJZSA-N 0 0 434.452 3.042 50 5 IGBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12)N1CCC(Cc2ccccc2)CC1 ZINC000035870815 526569711 /nfs/dbraw/zinc/56/97/11/526569711.db2.gz HZQPPRSDQZJCDN-LADGPHEKSA-N 0 0 435.524 3.454 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 ZINC000015391645 526714485 /nfs/dbraw/zinc/71/44/85/526714485.db2.gz WYMSOMAWPHNFAV-UHFFFAOYSA-N 0 0 444.923 3.381 50 5 IGBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000017988926 526778613 /nfs/dbraw/zinc/77/86/13/526778613.db2.gz GUVIHPBJVPOERZ-HDICACEKSA-N 0 0 425.416 3.467 50 5 IGBARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 ZINC000023411272 527100665 /nfs/dbraw/zinc/10/06/65/527100665.db2.gz REZGKVRWSNLLFE-HXUWFJFHSA-N 0 0 442.435 3.456 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 ZINC000022907196 527375413 /nfs/dbraw/zinc/37/54/13/527375413.db2.gz UZLYQAIWRXXCJX-HXUWFJFHSA-N 0 0 427.482 3.266 50 5 IGBARN O=c1c2cccnc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1c[nH]c2ccccc12 ZINC000020356848 527468947 /nfs/dbraw/zinc/46/89/47/527468947.db2.gz CLDVKVMBABUECW-UHFFFAOYSA-N 0 0 441.447 3.239 50 5 IGBARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2(CO)c2ccccc21 ZINC000004510964 556368175 /nfs/dbraw/zinc/36/81/75/556368175.db2.gz RHLNRSGMTBMLNN-NFJKTXFASA-N 0 0 426.428 3.138 50 5 IGBARN Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)ccc1[N+](=O)[O-] ZINC000015191174 556510482 /nfs/dbraw/zinc/51/04/82/556510482.db2.gz ASZANFYKABFOAG-UHFFFAOYSA-N 0 0 429.498 3.281 50 5 IGBARN O=C(CNc1c(F)cc([N+](=O)[O-])cc1Br)N1CCN(c2ccccc2)CC1 ZINC000072301820 556525130 /nfs/dbraw/zinc/52/51/30/556525130.db2.gz UJKKXRPLLRTUCA-UHFFFAOYSA-N 0 0 437.269 3.257 50 5 IGBARN C[C@](O)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 ZINC000072304244 556548476 /nfs/dbraw/zinc/54/84/76/556548476.db2.gz LFFPTSHUCSTGJT-IBGZPJMESA-N 0 0 441.406 3.447 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000032906108 556551804 /nfs/dbraw/zinc/55/18/04/556551804.db2.gz ZCUXWXCZRPOLSG-UHFFFAOYSA-N 0 0 443.478 3.278 50 5 IGBARN O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100551999 556617439 /nfs/dbraw/zinc/61/74/39/556617439.db2.gz OCNGPWPZLIULOE-GOSISDBHSA-N 0 0 449.294 3.356 50 5 IGBARN CC[C@H](C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000016752255 556637871 /nfs/dbraw/zinc/63/78/71/556637871.db2.gz MALLSJZYWQHKAK-KRWDZBQOSA-N 0 0 429.524 3.381 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[S@](=O)C3)cc1 ZINC000011726335 556648859 /nfs/dbraw/zinc/64/88/59/556648859.db2.gz UUTBCSKSSVEJMX-SSEXGKCCSA-N 0 0 446.872 3.457 50 5 IGBARN CCCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccccn1c2=O ZINC000100707406 556655558 /nfs/dbraw/zinc/65/55/58/556655558.db2.gz DJEKFFKUAUDRJJ-UHFFFAOYSA-N 0 0 436.537 3.460 50 5 IGBARN O=C(O[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000013015788 556675867 /nfs/dbraw/zinc/67/58/67/556675867.db2.gz LJZFUWPUXHMQRC-HXUWFJFHSA-N 0 0 426.450 3.471 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000013524438 556677952 /nfs/dbraw/zinc/67/79/52/556677952.db2.gz KCOCKEKWWPKCBR-SFHVURJKSA-N 0 0 428.470 3.044 50 5 IGBARN COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(C)=O)c(C)cc1[N+](=O)[O-] ZINC000013777038 556729782 /nfs/dbraw/zinc/72/97/82/556729782.db2.gz DPMUTYNODWNDAB-MBDNFAEBSA-N 0 0 447.447 3.016 50 5 IGBARN Cc1ccc(CNC(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1F ZINC000048274215 557051584 /nfs/dbraw/zinc/05/15/84/557051584.db2.gz PIBVSLXBUBJIQS-UHFFFAOYSA-N 0 0 425.464 3.378 50 5 IGBARN CCOC(=O)C1=C(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccco1 ZINC000024863527 557172763 /nfs/dbraw/zinc/17/27/63/557172763.db2.gz FKANSJXSQHVHSN-BFUOFWGJSA-N 0 0 428.445 3.052 50 5 IGBARN C[C@H](NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N)c1ccccc1 ZINC000100627282 557266410 /nfs/dbraw/zinc/26/64/10/557266410.db2.gz WBIIQCOUPMPNLG-INIZCTEOSA-N 0 0 439.475 3.261 50 5 IGBARN N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 ZINC000100633121 557267029 /nfs/dbraw/zinc/26/70/29/557267029.db2.gz QVGODTZBXPDHQX-UHFFFAOYSA-N 0 0 434.521 3.467 50 5 IGBARN O=C(CS[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2F)C1=O)Nc1ccc(Cl)cc1 ZINC000102407394 557321045 /nfs/dbraw/zinc/32/10/45/557321045.db2.gz XHTFTOHCILTUQJ-OAHLLOKOSA-N 0 0 437.836 3.391 50 5 IGBARN Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1C ZINC000014360755 557335638 /nfs/dbraw/zinc/33/56/38/557335638.db2.gz VCCBULORFCBVKO-UHFFFAOYSA-N 0 0 442.424 3.128 50 5 IGBARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014390872 557336986 /nfs/dbraw/zinc/33/69/86/557336986.db2.gz MSWSOKXRGRZVGA-UHFFFAOYSA-N 0 0 446.891 3.174 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000023456159 557356051 /nfs/dbraw/zinc/35/60/51/557356051.db2.gz HNPMVDQJABDQAD-UHFFFAOYSA-N 0 0 431.246 3.404 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccccc3)c(=N)n1C1CCCC1)c2=O ZINC000102622059 557359956 /nfs/dbraw/zinc/35/99/56/557359956.db2.gz BRPHOFHNTGNOQW-UHFFFAOYSA-N 0 0 427.508 3.482 50 5 IGBARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102745137 557377611 /nfs/dbraw/zinc/37/76/11/557377611.db2.gz MMGIJJQEZNYLKV-LJQANCHMSA-N 0 0 442.497 3.402 50 5 IGBARN Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000102757035 557384092 /nfs/dbraw/zinc/38/40/92/557384092.db2.gz IKDDKLDLWXZRND-PCCBWWKXSA-N 0 0 430.420 3.349 50 5 IGBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1 ZINC000000840689 557599652 /nfs/dbraw/zinc/59/96/52/557599652.db2.gz XNXXQIRQGOQBNN-UHFFFAOYSA-N 0 0 425.466 3.107 50 5 IGBARN Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000018707119 557855377 /nfs/dbraw/zinc/85/53/77/557855377.db2.gz UFOFUEQLZVXRPS-UHFFFAOYSA-N 0 0 436.877 3.155 50 5 IGBARN CCCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1c(C)cccn1c2=O ZINC000001770411 562924533 /nfs/dbraw/zinc/92/45/33/562924533.db2.gz PYHLSPAFPBPMKW-UHFFFAOYSA-N 0 0 436.537 3.460 50 5 IGBARN CCOP(=O)(OCC)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000003219072 562932998 /nfs/dbraw/zinc/93/29/98/562932998.db2.gz NEFNHDKUCIZDQT-LBPRGKRZSA-N 0 0 429.244 3.387 50 5 IGBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008636687 562960055 /nfs/dbraw/zinc/96/00/55/562960055.db2.gz DAUFZPZNKSHRSS-UHFFFAOYSA-N 0 0 443.437 3.295 50 5 IGBARN COc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 ZINC000008660879 562960258 /nfs/dbraw/zinc/96/02/58/562960258.db2.gz GPNYCXPDHUAUSS-LLVKDONJSA-N 0 0 434.246 3.358 50 5 IGBARN COc1ccc(CCN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC ZINC000008687786 562963074 /nfs/dbraw/zinc/96/30/74/562963074.db2.gz 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0 0 440.433 3.435 50 5 IGBARN CCOc1ccccc1CN(C[C@H](C)O)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000084810994 568801740 /nfs/dbraw/zinc/80/17/40/568801740.db2.gz LWDXBRHNLLTLFP-INIZCTEOSA-N 0 0 438.484 3.345 50 5 IGBARN COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000015881285 568855050 /nfs/dbraw/zinc/85/50/50/568855050.db2.gz GPFSDEGCBIWZKZ-UHFFFAOYSA-N 0 0 437.437 3.320 50 5 IGBARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000015882749 568857194 /nfs/dbraw/zinc/85/71/94/568857194.db2.gz TVFXRXCRAPJDBW-UHFFFAOYSA-N 0 0 444.451 3.260 50 5 IGBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3Br)nn12 ZINC000026533838 568880158 /nfs/dbraw/zinc/88/01/58/568880158.db2.gz RSEGDDSFDXNTGL-NTEUORMPSA-N 0 0 429.255 3.036 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000137585174 568880353 /nfs/dbraw/zinc/88/03/53/568880353.db2.gz GZEQEFZTLJYHLO-FDFHNCONSA-N 0 0 445.431 3.347 50 5 IGBARN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(N)cc1 ZINC000006286645 568881806 /nfs/dbraw/zinc/88/18/06/568881806.db2.gz YMTVIEISZOIDEV-UHFFFAOYSA-N 0 0 428.474 3.195 50 5 IGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000016399434 568887949 /nfs/dbraw/zinc/88/79/49/568887949.db2.gz PNSSDGKCNINLIH-ROUUACIJSA-N 0 0 440.500 3.020 50 5 IGBARN COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000001886160 568917555 /nfs/dbraw/zinc/91/75/55/568917555.db2.gz XIZKTWOGQHTTJY-UHFFFAOYSA-N 0 0 445.482 3.438 50 5 IGBARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O ZINC000006491950 568925581 /nfs/dbraw/zinc/92/55/81/568925581.db2.gz YHPDPVVGNKRPQT-CXUHLZMHSA-N 0 0 432.410 3.463 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000013137162 569125616 /nfs/dbraw/zinc/12/56/16/569125616.db2.gz CRXLYMUWXKPWER-AWEZNQCLSA-N 0 0 433.486 3.276 50 5 IGBARN COc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000017044968 569171395 /nfs/dbraw/zinc/17/13/95/569171395.db2.gz HOMJHZYQMNVLEA-HNNXBMFYSA-N 0 0 427.457 3.390 50 5 IGBARN COc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)cc1Cl ZINC000017099227 569173328 /nfs/dbraw/zinc/17/33/28/569173328.db2.gz ASEWPWGJSCBSTG-UHFFFAOYSA-N 0 0 434.880 3.026 50 5 IGBARN CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000002072194 569176989 /nfs/dbraw/zinc/17/69/89/569176989.db2.gz XTEBRCQTVMENNX-UHFFFAOYSA-N 0 0 441.469 3.236 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc([N+](=O)[O-])n1)C[C@@H](C(C)(C)C)CC2 ZINC000002081463 569177288 /nfs/dbraw/zinc/17/72/88/569177288.db2.gz WJEXOVQBBJSHOX-NSHDSACASA-N 0 0 435.506 3.214 50 5 IGBARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000014865211 569182977 /nfs/dbraw/zinc/18/29/77/569182977.db2.gz JDABZZIJFDHXNY-UHFFFAOYSA-N 0 0 438.253 3.275 50 5 IGBARN COc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000010132061 569197752 /nfs/dbraw/zinc/19/77/52/569197752.db2.gz OJUYECBQHMJRII-UHFFFAOYSA-N 0 0 448.357 3.485 50 5 IGBARN COc1cccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1 ZINC000027527444 569263180 /nfs/dbraw/zinc/26/31/80/569263180.db2.gz VMPFVFMNGIIDLS-RBUKOAKNSA-N 0 0 449.444 3.418 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000009136575 569293986 /nfs/dbraw/zinc/29/39/86/569293986.db2.gz RVUMNMMWTZOIRW-MDWZMJQESA-N 0 0 433.486 3.286 50 5 IGBARN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000009202726 569294218 /nfs/dbraw/zinc/29/42/18/569294218.db2.gz NNDLEORSZGJQFV-UHFFFAOYSA-N 0 0 442.424 3.225 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012980424 569305660 /nfs/dbraw/zinc/30/56/60/569305660.db2.gz ZKDWPSYCGANDQL-INIZCTEOSA-N 0 0 434.470 3.291 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013370736 569314341 /nfs/dbraw/zinc/31/43/41/569314341.db2.gz RRLRTYLZAZPELC-ZHSNQQFMSA-N 0 0 449.500 3.318 50 5 IGBARN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000018285062 569316221 /nfs/dbraw/zinc/31/62/21/569316221.db2.gz HCDDZWVHQRODCH-JQBYJRRVSA-N 0 0 439.427 3.132 50 5 IGBARN CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000078968178 569320853 /nfs/dbraw/zinc/32/08/53/569320853.db2.gz KCXDJOKVOFQXEC-LJQANCHMSA-N 0 0 433.530 3.329 50 5 IGBARN CCOC(=O)c1ccc(-n2c(CN3CCCCC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000020155203 569353761 /nfs/dbraw/zinc/35/37/61/569353761.db2.gz IMXPOLHAZAZMIA-UHFFFAOYSA-N 0 0 436.468 3.457 50 5 IGBARN COc1ccc(Cn2nc(C)c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c2C)cc1OC ZINC000002729782 569418188 /nfs/dbraw/zinc/41/81/88/569418188.db2.gz FEYVDIOIEPQDAW-UHFFFAOYSA-N 0 0 442.476 3.044 50 5 IGBARN CCCCN1C(=O)C(=Cc2ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c2)NC1=S ZINC000002794132 569422015 /nfs/dbraw/zinc/42/20/15/569422015.db2.gz JYSULGJDFIWCFI-BOPFTXTBSA-N 0 0 443.529 3.323 50 5 IGBARN Cc1c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000002855521 569423501 /nfs/dbraw/zinc/42/35/01/569423501.db2.gz BRGDMYWDONKNHG-UHFFFAOYSA-N 0 0 442.291 3.070 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c(C)c1 ZINC000003009662 569435162 /nfs/dbraw/zinc/43/51/62/569435162.db2.gz UDXOEGBVTKWDIG-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN CCOC(=O)CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003028422 569436475 /nfs/dbraw/zinc/43/64/75/569436475.db2.gz CGDWOZAQLKXCLP-UHFFFAOYSA-N 0 0 426.878 3.392 50 5 IGBARN Cc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057574231 569439916 /nfs/dbraw/zinc/43/99/16/569439916.db2.gz JWDSJCPNDFBHNA-SFHVURJKSA-N 0 0 433.512 3.278 50 5 IGBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000003309609 569445422 /nfs/dbraw/zinc/44/54/22/569445422.db2.gz OSWLXERBIOVXLF-UHFFFAOYSA-N 0 0 426.303 3.196 50 5 IGBARN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000030836284 569449140 /nfs/dbraw/zinc/44/91/40/569449140.db2.gz BTFBGTMKXWCJFB-UHFFFAOYSA-N 0 0 446.481 3.055 50 5 IGBARN O=C(NC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000058162254 569449299 /nfs/dbraw/zinc/44/92/99/569449299.db2.gz GYCUIZQYRGTHBW-KRWDZBQOSA-N 0 0 428.405 3.225 50 5 IGBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000004176459 569460597 /nfs/dbraw/zinc/46/05/97/569460597.db2.gz WAYAYDFSZHQNKI-UHFFFAOYSA-N 0 0 425.898 3.211 50 5 IGBARN Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000004158160 569460556 /nfs/dbraw/zinc/46/05/56/569460556.db2.gz CSARUOJGJVIWOB-UHFFFAOYSA-N 0 0 438.871 3.429 50 5 IGBARN Cc1cc(=O)c(C(=O)NCc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000008724447 569471981 /nfs/dbraw/zinc/47/19/81/569471981.db2.gz HNJLXUVATRHKKM-UHFFFAOYSA-N 0 0 432.358 3.398 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008790480 569476035 /nfs/dbraw/zinc/47/60/35/569476035.db2.gz YTONEQLRUHBJSV-UHFFFAOYSA-N 0 0 434.499 3.487 50 5 IGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040043391 569483670 /nfs/dbraw/zinc/48/36/70/569483670.db2.gz GZQOFXVARLXONI-WWKNUYBVSA-N 0 0 440.544 3.330 50 5 IGBARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000009128539 569505441 /nfs/dbraw/zinc/50/54/41/569505441.db2.gz VGVHIRMLVKKBGL-UHFFFAOYSA-N 0 0 445.419 3.482 50 5 IGBARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000009141033 569507273 /nfs/dbraw/zinc/50/72/73/569507273.db2.gz IYHSBBAZXYFSLF-UHFFFAOYSA-N 0 0 447.469 3.090 50 5 IGBARN O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000009307508 569521413 /nfs/dbraw/zinc/52/14/13/569521413.db2.gz KKNSIXWYGAZWKF-UHFFFAOYSA-N 0 0 429.388 3.364 50 5 IGBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000009363702 569525933 /nfs/dbraw/zinc/52/59/33/569525933.db2.gz HYQDKGJBCWFZIU-UHFFFAOYSA-N 0 0 434.411 3.045 50 5 IGBARN CS(=O)(=O)N(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009373518 569527039 /nfs/dbraw/zinc/52/70/39/569527039.db2.gz PKSIVADZXQHJDY-UHFFFAOYSA-N 0 0 425.271 3.057 50 5 IGBARN COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1OC ZINC000009441386 569535360 /nfs/dbraw/zinc/53/53/60/569535360.db2.gz IMDJPUARBHELMC-UHFFFAOYSA-N 0 0 449.529 3.423 50 5 IGBARN CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009495079 569541005 /nfs/dbraw/zinc/54/10/05/569541005.db2.gz CKBJVYGDRFVWBO-LJQANCHMSA-N 0 0 430.486 3.444 50 5 IGBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009497797 569541302 /nfs/dbraw/zinc/54/13/02/569541302.db2.gz QEKQCKQHKRFGOM-UHFFFAOYSA-N 0 0 428.404 3.174 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C ZINC000009499523 569541407 /nfs/dbraw/zinc/54/14/07/569541407.db2.gz CHDUWEKDXAPJPO-ZDUSSCGKSA-N 0 0 427.486 3.442 50 5 IGBARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009510276 569542719 /nfs/dbraw/zinc/54/27/19/569542719.db2.gz NNHQXMWNWAGUDI-UHFFFAOYSA-N 0 0 448.815 3.164 50 5 IGBARN CCn1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 ZINC000009587733 569549853 /nfs/dbraw/zinc/54/98/53/569549853.db2.gz ACOLRUVBIVQRBW-UHFFFAOYSA-N 0 0 444.831 3.082 50 5 IGBARN CC(C)(C)c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000009589543 569549974 /nfs/dbraw/zinc/54/99/74/569549974.db2.gz LUHIDUWXTIHOTM-UHFFFAOYSA-N 0 0 434.514 3.492 50 5 IGBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000009630766 569553658 /nfs/dbraw/zinc/55/36/58/569553658.db2.gz ZSDAAUMAOZKVHF-UHFFFAOYSA-N 0 0 436.420 3.053 50 5 IGBARN O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000009662108 569557112 /nfs/dbraw/zinc/55/71/12/569557112.db2.gz SVOCIPYGGLQAEX-UHFFFAOYSA-N 0 0 443.290 3.083 50 5 IGBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000009963493 569575778 /nfs/dbraw/zinc/57/57/78/569575778.db2.gz JEGZOACMBNJIGS-CYBMUJFWSA-N 0 0 425.894 3.442 50 5 IGBARN CN(CC(=O)Nc1cccc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000010037213 569577418 /nfs/dbraw/zinc/57/74/18/569577418.db2.gz OXQKENOEJQRVJT-UHFFFAOYSA-N 0 0 435.355 3.102 50 5 IGBARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187986 569578734 /nfs/dbraw/zinc/57/87/34/569578734.db2.gz KQPFZRRZMPBKBW-UHFFFAOYSA-N 0 0 436.424 3.024 50 5 IGBARN Cc1c(NC(=O)CSc2nnc(N3CCCC3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000010517763 569582686 /nfs/dbraw/zinc/58/26/86/569582686.db2.gz KVQGABLDKLSDSZ-HNNXBMFYSA-N 0 0 446.533 3.005 50 5 IGBARN Cc1c(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)cccc1[N+](=O)[O-] ZINC000010186601 132243176 /nfs/dbraw/zinc/24/31/76/132243176.db2.gz KISOBFBTUANYCM-UHFFFAOYSA-N 0 0 432.484 3.364 50 5 IGBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@H](C)O1 ZINC000005164574 132275021 /nfs/dbraw/zinc/27/50/21/132275021.db2.gz SLBGURDKOXNUOG-HOTGVXAUSA-N 0 0 426.521 3.040 50 5 IGBARN CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009128697 132305590 /nfs/dbraw/zinc/30/55/90/132305590.db2.gz HRDMZMVSFJTYTR-XXBNENTESA-N 0 0 436.468 3.021 50 5 IGBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1C1CCCCC1 ZINC000009240798 132310320 /nfs/dbraw/zinc/31/03/20/132310320.db2.gz MYVMCYHPBXIZEG-CVDCTZTESA-N 0 0 440.500 3.297 50 5 IGBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000009562897 132321724 /nfs/dbraw/zinc/32/17/24/132321724.db2.gz FDKHVVPONXOLMU-CQSZACIVSA-N 0 0 441.440 3.355 50 5 IGBARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000012909534 519803236 /nfs/dbraw/zinc/80/32/36/519803236.db2.gz ATWQAAQIKJQUBD-KMFMINBZSA-N 0 0 441.502 3.159 50 5 IGBARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N21 ZINC000012411599 520568905 /nfs/dbraw/zinc/56/89/05/520568905.db2.gz BTSRRGSWKWPTFT-OAHLLOKOSA-N 0 0 431.396 3.006 50 5 IGBARN CCN(CCCNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000032913358 521025261 /nfs/dbraw/zinc/02/52/61/521025261.db2.gz IWYKBZBZXKVLSX-UHFFFAOYSA-N 0 0 444.554 3.341 50 5 IGBARN CNc1ccc([N+](=O)[O-])cc1-n1cc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C ZINC000020867761 522643114 /nfs/dbraw/zinc/64/31/14/522643114.db2.gz SPRYJJOITXMXHM-UHFFFAOYSA-N 0 0 439.859 3.298 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)c(=O)oc21 ZINC000012418927 522972718 /nfs/dbraw/zinc/97/27/18/522972718.db2.gz MGAUIWYLWMILQS-UHFFFAOYSA-N 0 0 442.468 3.425 50 5 IGBARN Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 ZINC000023246035 524521435 /nfs/dbraw/zinc/52/14/35/524521435.db2.gz MNOLBURWXCQODI-SFHVURJKSA-N 0 0 435.912 3.022 50 5 IGBARN Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C ZINC000022028673 524567746 /nfs/dbraw/zinc/56/77/46/524567746.db2.gz WLAJDMGWVCIMJO-HZPDHXFCSA-N 0 0 425.441 3.135 50 5 IGBARN C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NCCN5CCOCC5)nn4c(=O)c32)C1 ZINC000021548821 524726122 /nfs/dbraw/zinc/72/61/22/524726122.db2.gz CHPARBDWAZNSEQ-OAHLLOKOSA-N 0 0 449.580 3.326 50 5 IGBARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000012361728 524900879 /nfs/dbraw/zinc/90/08/79/524900879.db2.gz IXNZOQGGLWEGFR-OAQYLSRUSA-N 0 0 443.481 3.207 50 5 IGBARN COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000012361633 525281678 /nfs/dbraw/zinc/28/16/78/525281678.db2.gz RCMCFGLBSIEDRB-OAQYLSRUSA-N 0 0 443.481 3.207 50 5 IGBARN C[C@@H]1Cc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2N1S(C)(=O)=O ZINC000012777639 525517882 /nfs/dbraw/zinc/51/78/82/525517882.db2.gz HYQFXVGLAOWTOB-GFCCVEGCSA-N 0 0 437.905 3.231 50 5 IGBARN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]34)cc2NC1=O ZINC000023129904 525612268 /nfs/dbraw/zinc/61/22/68/525612268.db2.gz PUVFPCQBSMPODY-ZLXGRDSLSA-N 0 0 436.468 3.484 50 5 IGBARN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022098357 525878172 /nfs/dbraw/zinc/87/81/72/525878172.db2.gz ILMRLCQIZDKMAJ-HNNXBMFYSA-N 0 0 440.456 3.409 50 5 IGBARN Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)on1 ZINC000020581362 526041538 /nfs/dbraw/zinc/04/15/38/526041538.db2.gz UIOYXMWGGPVZJA-UHFFFAOYSA-N 0 0 434.499 3.131 50 5 IGBARN O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035870318 526768274 /nfs/dbraw/zinc/76/82/74/526768274.db2.gz BOYGYZQPTTYSTJ-UPVQGACJSA-N 0 0 443.507 3.174 50 5 IGBARN Cc1nnc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc2)[nH]1 ZINC000069530819 527070804 /nfs/dbraw/zinc/07/08/04/527070804.db2.gz NMLRJNCVCWHTSX-LJQANCHMSA-N 0 0 442.501 3.007 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccncc21 ZINC000012557624 527362273 /nfs/dbraw/zinc/36/22/73/527362273.db2.gz KEKKUWQKBKPNQG-UHFFFAOYSA-N 0 0 432.889 3.307 50 5 IGBARN O=C(Nc1nc2ccccc2s1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012858903 527516520 /nfs/dbraw/zinc/51/65/20/527516520.db2.gz IXBFINXAFZLSJW-INIZCTEOSA-N 0 0 446.510 3.386 50 5 IGBARN COC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000006288212 556083881 /nfs/dbraw/zinc/08/38/81/556083881.db2.gz SZKQPTYUUMJYOR-UHFFFAOYSA-N 0 0 427.413 3.021 50 5 IGBARN COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000008445310 556179648 /nfs/dbraw/zinc/17/96/48/556179648.db2.gz LVGLADRVUHWVQN-INIZCTEOSA-N 0 0 446.769 3.026 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000032754357 556323490 /nfs/dbraw/zinc/32/34/90/556323490.db2.gz LQTUUUAFINQOAM-LBPRGKRZSA-N 0 0 426.495 3.446 50 5 IGBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1 ZINC000229959853 556412483 /nfs/dbraw/zinc/41/24/83/556412483.db2.gz LDHUAYZLDGRGGJ-GBXCKJPGSA-N 0 0 448.479 3.369 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000011025906 556436291 /nfs/dbraw/zinc/43/62/91/556436291.db2.gz DCKMWQUOGRQHPG-UHFFFAOYSA-N 0 0 441.874 3.279 50 5 IGBARN N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 ZINC000013464942 556506784 /nfs/dbraw/zinc/50/67/84/556506784.db2.gz LEABGADKSLIYJL-UHFFFAOYSA-N 0 0 427.508 3.216 50 5 IGBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295978 556520808 /nfs/dbraw/zinc/52/08/08/556520808.db2.gz NQVZPVZZKFXDBW-OAQYLSRUSA-N 0 0 436.449 3.325 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013659156 556707760 /nfs/dbraw/zinc/70/77/60/556707760.db2.gz HELTVISIBNMGKY-NJDAHSKKSA-N 0 0 431.404 3.352 50 5 IGBARN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000013845210 556744934 /nfs/dbraw/zinc/74/49/34/556744934.db2.gz NSOQAIGQGDYPPD-LLVKDONJSA-N 0 0 427.866 3.050 50 5 IGBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000003300128 556811235 /nfs/dbraw/zinc/81/12/35/556811235.db2.gz YJJVTGKMYJNCQG-UHFFFAOYSA-N 0 0 427.196 3.484 50 5 IGBARN O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998505 556841096 /nfs/dbraw/zinc/84/10/96/556841096.db2.gz OQIAAOCNSBPHDE-UHFFFAOYSA-N 0 0 430.461 3.323 50 5 IGBARN COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013940851 556974590 /nfs/dbraw/zinc/97/45/90/556974590.db2.gz DWGRSUCAJDJZFB-UHFFFAOYSA-N 0 0 436.873 3.484 50 5 IGBARN O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 ZINC000048289175 557054543 /nfs/dbraw/zinc/05/45/43/557054543.db2.gz NMBGHJVOEHLLHQ-HXUWFJFHSA-N 0 0 433.468 3.194 50 5 IGBARN COc1ccc(Br)cc1CN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048355824 557074327 /nfs/dbraw/zinc/07/43/27/557074327.db2.gz VJCLWVVQAZMNSG-UHFFFAOYSA-N 0 0 429.292 3.328 50 5 IGBARN Cc1nc2ccccc2n1CCNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000018061659 557234623 /nfs/dbraw/zinc/23/46/23/557234623.db2.gz NHJJFQOTPABZEW-UHFFFAOYSA-N 0 0 429.502 3.150 50 5 IGBARN O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101189341 557262759 /nfs/dbraw/zinc/26/27/59/557262759.db2.gz IVTYULKILJKVRZ-HDICACEKSA-N 0 0 440.500 3.020 50 5 IGBARN CCCn1c(=N)c(C(=O)Nc2ccc(OCC)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000100894325 557277941 /nfs/dbraw/zinc/27/79/41/557277941.db2.gz CFXVUQTVUBRCIM-UHFFFAOYSA-N 0 0 431.496 3.498 50 5 IGBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000014186210 557313604 /nfs/dbraw/zinc/31/36/04/557313604.db2.gz XXXGFHHODOEDOK-LZLYRXPVSA-N 0 0 429.498 3.095 50 5 IGBARN O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011689685 557367857 /nfs/dbraw/zinc/36/78/57/557367857.db2.gz VQBDZRKKCKPIMC-UHFFFAOYSA-N 0 0 430.438 3.350 50 5 IGBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000000845114 557428867 /nfs/dbraw/zinc/42/88/67/557428867.db2.gz AGMMBDKQINDIBF-UHFFFAOYSA-N 0 0 445.295 3.356 50 5 IGBARN O=c1[nH]c2c(s1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2 ZINC000136844374 557460068 /nfs/dbraw/zinc/46/00/68/557460068.db2.gz UZYQQRHVDXDQNW-OFQRWUPVSA-N 0 0 439.474 3.140 50 5 IGBARN COc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000870057 557831965 /nfs/dbraw/zinc/83/19/65/557831965.db2.gz VEABDALYZOUWDY-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002873787 562930357 /nfs/dbraw/zinc/93/03/57/562930357.db2.gz NRWLZCHMKPJWTO-UHFFFAOYSA-N 0 0 441.893 3.205 50 5 IGBARN COc1ccc(CCNC(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)cc1OC ZINC000002965722 562931279 /nfs/dbraw/zinc/93/12/79/562931279.db2.gz LDNOXSFQPRQMQR-UHFFFAOYSA-N 0 0 437.883 3.491 50 5 IGBARN CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002986995 562931442 /nfs/dbraw/zinc/93/14/42/562931442.db2.gz SAAOFNWYRQBAFU-UHFFFAOYSA-N 0 0 427.413 3.006 50 5 IGBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009284140 562968908 /nfs/dbraw/zinc/96/89/08/562968908.db2.gz PDSYKFOSJWHDFT-UHFFFAOYSA-N 0 0 447.494 3.063 50 5 IGBARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015391727 563017897 /nfs/dbraw/zinc/01/78/97/563017897.db2.gz CIRUEDXDNPPZSX-UHFFFAOYSA-N 0 0 435.436 3.124 50 5 IGBARN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000019929094 563023210 /nfs/dbraw/zinc/02/32/10/563023210.db2.gz SCXJEKNRLAKEEN-UHFFFAOYSA-N 0 0 434.905 3.207 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000951457 568645058 /nfs/dbraw/zinc/64/50/58/568645058.db2.gz OYUYVOHAGCEZPF-HXUWFJFHSA-N 0 0 445.431 3.449 50 5 IGBARN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001046027 568653868 /nfs/dbraw/zinc/65/38/68/568653868.db2.gz CPXXHFJIPHRYME-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001144112 568661117 /nfs/dbraw/zinc/66/11/17/568661117.db2.gz GBKITDSMLXFCLH-UHFFFAOYSA-N 0 0 439.493 3.467 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000001129944 568661216 /nfs/dbraw/zinc/66/12/16/568661216.db2.gz JAPBWIBROPQJOL-UHFFFAOYSA-N 0 0 442.291 3.070 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000001162334 568664299 /nfs/dbraw/zinc/66/42/99/568664299.db2.gz IDTLTYZJXKJUOV-SFHVURJKSA-N 0 0 428.470 3.044 50 5 IGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000015276471 568754292 /nfs/dbraw/zinc/75/42/92/568754292.db2.gz QYIAURVNNDKFEZ-INIZCTEOSA-N 0 0 442.877 3.230 50 5 IGBARN C[C@H](OC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025703360 568775541 /nfs/dbraw/zinc/77/55/41/568775541.db2.gz IPGMRNFDBNHGFM-AWEZNQCLSA-N 0 0 447.875 3.264 50 5 IGBARN C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000025789288 568780389 /nfs/dbraw/zinc/78/03/89/568780389.db2.gz YZSBSFXLZZOLQS-JTQLQIEISA-N 0 0 425.413 3.265 50 5 IGBARN CCOc1ccccc1CN(C[C@@H](C)O)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000084810993 568801732 /nfs/dbraw/zinc/80/17/32/568801732.db2.gz LWDXBRHNLLTLFP-MRXNPFEDSA-N 0 0 438.484 3.345 50 5 IGBARN O=C1COc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cc2N1 ZINC000012821298 568830732 /nfs/dbraw/zinc/83/07/32/568830732.db2.gz ARANRWKWMJLAKO-UHFFFAOYSA-N 0 0 432.435 3.422 50 5 IGBARN Cc1nn(CC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000016014587 568862547 /nfs/dbraw/zinc/86/25/47/568862547.db2.gz YOYBDYJKVVGZFP-UHFFFAOYSA-N 0 0 430.852 3.303 50 5 IGBARN CCOC(=O)c1c(N)n(CCOC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc12 ZINC000001838740 568916271 /nfs/dbraw/zinc/91/62/71/568916271.db2.gz GPYDKEQFWLPBRI-UHFFFAOYSA-N 0 0 449.423 3.109 50 5 IGBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002025835 568931380 /nfs/dbraw/zinc/93/13/80/568931380.db2.gz AWGZARMCOZVZOI-UHFFFAOYSA-N 0 0 432.483 3.241 50 5 IGBARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000036083457 568947060 /nfs/dbraw/zinc/94/70/60/568947060.db2.gz YMIWESSSJOYTGQ-HXUWFJFHSA-N 0 0 441.440 3.196 50 5 IGBARN CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006776837 568983613 /nfs/dbraw/zinc/98/36/13/568983613.db2.gz FRGXVJJPLNUXLP-NRFANRHFSA-N 0 0 427.505 3.156 50 5 IGBARN CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] ZINC000239038745 569138387 /nfs/dbraw/zinc/13/83/87/569138387.db2.gz DVPFLIMJWPWIAV-XMTFNYHQSA-N 0 0 445.388 3.205 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 ZINC000010220700 569153017 /nfs/dbraw/zinc/15/30/17/569153017.db2.gz AQLRCUBUXITEEJ-UHFFFAOYSA-N 0 0 445.453 3.269 50 5 IGBARN CCOc1cc2c(cc1OCC)CN(C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000010300406 569154355 /nfs/dbraw/zinc/15/43/55/569154355.db2.gz MDUZKJFQSIGQGG-UHFFFAOYSA-N 0 0 441.484 3.015 50 5 IGBARN Cc1nc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000089708967 569161892 /nfs/dbraw/zinc/16/18/92/569161892.db2.gz BXFZPKZMOZRHRL-OAHLLOKOSA-N 0 0 447.561 3.469 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H]1COc2ccccc2O1 ZINC000089866456 569166375 /nfs/dbraw/zinc/16/63/75/569166375.db2.gz WRXJCVZATJJADZ-HNNXBMFYSA-N 0 0 433.486 3.021 50 5 IGBARN O=[N+]([O-])c1cnc(N2CCOC[C@H]2c2nnc(-c3ccccc3)o2)c(Br)c1 ZINC000241121784 569197829 /nfs/dbraw/zinc/19/78/29/569197829.db2.gz JDVVPZPRODWATK-AWEZNQCLSA-N 0 0 432.234 3.380 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1C ZINC000009891832 569298370 /nfs/dbraw/zinc/29/83/70/569298370.db2.gz JYUKWBAIGPTEAD-UHFFFAOYSA-N 0 0 444.557 3.323 50 5 IGBARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000027814449 569300637 /nfs/dbraw/zinc/30/06/37/569300637.db2.gz RPVIBWSDVIMDQQ-UHFFFAOYSA-N 0 0 434.832 3.213 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000013027996 569307379 /nfs/dbraw/zinc/30/73/79/569307379.db2.gz CPMVLTXSOJBYFH-VIFPVBQESA-N 0 0 448.526 3.015 50 5 IGBARN C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013130889 569311235 /nfs/dbraw/zinc/31/12/35/569311235.db2.gz SEJUIEKSALSTOW-AWEZNQCLSA-N 0 0 439.921 3.006 50 5 IGBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013149188 569312011 /nfs/dbraw/zinc/31/20/11/569312011.db2.gz CCRAIPKDNFRHOT-UHFFFAOYSA-N 0 0 433.486 3.095 50 5 IGBARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000078900031 569320101 /nfs/dbraw/zinc/32/01/01/569320101.db2.gz ULDUOLCGUONPAM-UHFFFAOYSA-N 0 0 438.465 3.468 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(-n3ccc(=O)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000078968070 569320836 /nfs/dbraw/zinc/32/08/36/569320836.db2.gz XVJYZCHWDPNFJR-UHFFFAOYSA-N 0 0 444.425 3.072 50 5 IGBARN COc1cc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc(OC)c1OC ZINC000019826577 569329929 /nfs/dbraw/zinc/32/99/29/569329929.db2.gz UUWKRTRZUVBNFV-UHFFFAOYSA-N 0 0 427.442 3.237 50 5 IGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019852386 569330386 /nfs/dbraw/zinc/33/03/86/569330386.db2.gz VCFFJGMDYZSIIT-UHFFFAOYSA-N 0 0 429.420 3.120 50 5 IGBARN CCc1nc(N)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000095443949 569366860 /nfs/dbraw/zinc/36/68/60/569366860.db2.gz VQHHPGSLBUEXIO-ZETCQYMHSA-N 0 0 432.380 3.399 50 5 IGBARN NC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000095979971 569377916 /nfs/dbraw/zinc/37/79/16/569377916.db2.gz YKRPHCZTQZOGJD-JOCHJYFZSA-N 0 0 447.451 3.384 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000028173535 569408539 /nfs/dbraw/zinc/40/85/39/569408539.db2.gz SOVRVGADRHXZKV-HSZRJFAPSA-N 0 0 437.452 3.273 50 5 IGBARN O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028193641 569408967 /nfs/dbraw/zinc/40/89/67/569408967.db2.gz NVNPRUVURZSOSX-OAHLLOKOSA-N 0 0 443.403 3.194 50 5 IGBARN COc1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000002682768 569416737 /nfs/dbraw/zinc/41/67/37/569416737.db2.gz YZAXVYHJMWNGBM-GFCCVEGCSA-N 0 0 443.740 3.358 50 5 IGBARN Cc1cc(C(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000002749119 569420021 /nfs/dbraw/zinc/42/00/21/569420021.db2.gz GVLWLSTXVOVOJW-UHFFFAOYSA-N 0 0 426.429 3.108 50 5 IGBARN Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c1 ZINC000003009180 569435262 /nfs/dbraw/zinc/43/52/62/569435262.db2.gz PJBHUSWVQXJXLJ-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN CCOC(=O)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003028379 569436430 /nfs/dbraw/zinc/43/64/30/569436430.db2.gz BASJSBZDLYTEAV-UHFFFAOYSA-N 0 0 426.878 3.392 50 5 IGBARN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057574371 569439900 /nfs/dbraw/zinc/43/99/00/569439900.db2.gz HHRDNWDMHRBPSU-SFHVURJKSA-N 0 0 433.512 3.485 50 5 IGBARN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000003105452 569440208 /nfs/dbraw/zinc/44/02/08/569440208.db2.gz XFMYTBARQCLKRB-UHFFFAOYSA-N 0 0 447.513 3.260 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000003332200 569446504 /nfs/dbraw/zinc/44/65/04/569446504.db2.gz OIKUIAOLPHETBT-UHFFFAOYSA-N 0 0 445.387 3.191 50 5 IGBARN O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003416649 569450250 /nfs/dbraw/zinc/45/02/50/569450250.db2.gz WXOKAMKGVCGPRE-UHFFFAOYSA-N 0 0 434.832 3.368 50 5 IGBARN COc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000003445707 569451408 /nfs/dbraw/zinc/45/14/08/569451408.db2.gz JEQVBIIODAWZEC-UHFFFAOYSA-N 0 0 441.362 3.098 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031813347 569457811 /nfs/dbraw/zinc/45/78/11/569457811.db2.gz DODQELDFWSQTEP-HNNXBMFYSA-N 0 0 426.820 3.337 50 5 IGBARN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C ZINC000008623684 569469485 /nfs/dbraw/zinc/46/94/85/569469485.db2.gz KMRCYCZOZHCMMR-FQEVSTJZSA-N 0 0 430.848 3.271 50 5 IGBARN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008825129 569477270 /nfs/dbraw/zinc/47/72/70/569477270.db2.gz AQMVISBDCWILGP-PXRHCINRSA-N 0 0 435.498 3.329 50 5 IGBARN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 ZINC000008825876 569477479 /nfs/dbraw/zinc/47/74/79/569477479.db2.gz ZAQYMQNHAYKUMK-UHFFFAOYSA-N 0 0 447.201 3.203 50 5 IGBARN O=C1N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828032 569477740 /nfs/dbraw/zinc/47/77/40/569477740.db2.gz OSOBTAOJDNLXNR-JKSUJKDBSA-N 0 0 441.387 3.226 50 5 IGBARN O=C1N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828341 569477858 /nfs/dbraw/zinc/47/78/58/569477858.db2.gz LZKKIFRJBZMUPV-HZPDHXFCSA-N 0 0 441.387 3.226 50 5 IGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000040043389 569483664 /nfs/dbraw/zinc/48/36/64/569483664.db2.gz GZQOFXVARLXONI-MHZGPWMTSA-N 0 0 440.544 3.330 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(OC)c2[N+](=O)[O-])N3)C1 ZINC000008920765 569486522 /nfs/dbraw/zinc/48/65/22/569486522.db2.gz NWNJBZWPUTZAES-INIZCTEOSA-N 0 0 448.457 3.314 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 ZINC000008921410 569486801 /nfs/dbraw/zinc/48/68/01/569486801.db2.gz YDQZASDIFITNCK-PTZVLDCSSA-N 0 0 428.470 3.366 50 5 IGBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000040148898 569492432 /nfs/dbraw/zinc/49/24/32/569492432.db2.gz UEBRGVBIBLQHGL-CQSZACIVSA-N 0 0 447.289 3.172 50 5 IGBARN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)n1 ZINC000009234280 569513956 /nfs/dbraw/zinc/51/39/56/569513956.db2.gz ARQCTSGZTDGSCV-QGCDCVKKSA-N 0 0 428.489 3.328 50 5 IGBARN CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000009322895 569522722 /nfs/dbraw/zinc/52/27/22/569522722.db2.gz BRJMANFYBIXSRK-UHFFFAOYSA-N 0 0 437.865 3.161 50 5 IGBARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000009339274 569523725 /nfs/dbraw/zinc/52/37/25/569523725.db2.gz ASBWWWGTAITXEJ-UHFFFAOYSA-N 0 0 430.770 3.441 50 5 IGBARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] ZINC000009352297 569524904 /nfs/dbraw/zinc/52/49/04/569524904.db2.gz PNBNQCCNJWDEQT-UHFFFAOYSA-N 0 0 429.248 3.238 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc21 ZINC000009404080 569529622 /nfs/dbraw/zinc/52/96/22/569529622.db2.gz JPCZJENCCLOBOV-UHFFFAOYSA-N 0 0 426.410 3.119 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[S@@](=O)C3)cc1 ZINC000009413755 569531808 /nfs/dbraw/zinc/53/18/08/569531808.db2.gz IIHYMUWRXGRVRF-PMERELPUSA-N 0 0 446.872 3.457 50 5 IGBARN O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1C[C@@H]1CCCO1 ZINC000009461736 569537129 /nfs/dbraw/zinc/53/71/29/569537129.db2.gz CLBHIVKDLXVXKG-HNNXBMFYSA-N 0 0 441.447 3.191 50 5 IGBARN CCc1cccc2c(C(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c[nH]c21 ZINC000009630649 569553640 /nfs/dbraw/zinc/55/36/40/569553640.db2.gz VEUNARRNXPNSEB-UHFFFAOYSA-N 0 0 430.438 3.082 50 5 IGBARN CC(C)(C)c1ccc(-n2c3nc(-c4ccccc4[N+](=O)[O-])nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000009738916 569564962 /nfs/dbraw/zinc/56/49/62/569564962.db2.gz XEENNPPBVGWZQP-UHFFFAOYSA-N 0 0 432.440 3.080 50 5 IGBARN COc1ccc(NC(=O)COc2ncnc3ccc(Br)cc32)c([N+](=O)[O-])c1 ZINC000009956636 569574725 /nfs/dbraw/zinc/57/47/25/569574725.db2.gz VGOOKOBJGNCQHA-UHFFFAOYSA-N 0 0 433.218 3.327 50 5 IGBARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000985223 132236760 /nfs/dbraw/zinc/23/67/60/132236760.db2.gz HFJKOSOATXHZIB-UHFFFAOYSA-N 0 0 435.436 3.428 50 5 IGBARN C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O ZINC000009122778 132304968 /nfs/dbraw/zinc/30/49/68/132304968.db2.gz RMCDXTYIXGQFFN-QQQUVDROSA-N 0 0 448.479 3.336 50 5 IGBARN CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1CCC ZINC000009266796 132311903 /nfs/dbraw/zinc/31/19/03/132311903.db2.gz ICQQHMIHKDXIRX-PGRDOPGGSA-N 0 0 430.505 3.399 50 5 IGBARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000009509947 132319905 /nfs/dbraw/zinc/31/99/05/132319905.db2.gz FOWCRZJUUWYJDX-UHFFFAOYSA-N 0 0 432.502 3.088 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccc2)CC1 ZINC000009713788 132327124 /nfs/dbraw/zinc/32/71/24/132327124.db2.gz WWWTVPGFRYGYPK-UHFFFAOYSA-N 0 0 430.530 3.096 50 5 IGBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000014215181 132356763 /nfs/dbraw/zinc/35/67/63/132356763.db2.gz KEYRNHLWSWWTPE-UHFFFAOYSA-N 0 0 427.774 3.031 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000012563795 519592656 /nfs/dbraw/zinc/59/26/56/519592656.db2.gz GPCXGPAGRBBIDV-CQSZACIVSA-N 0 0 430.892 3.408 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012558186 519733048 /nfs/dbraw/zinc/73/30/48/519733048.db2.gz NHNBEQPCACMPQQ-OAQYLSRUSA-N 0 0 433.530 3.232 50 5 IGBARN COC(=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000012370013 522343099 /nfs/dbraw/zinc/34/30/99/522343099.db2.gz UGDKRDDOWMKEPL-UHFFFAOYSA-N 0 0 441.347 3.233 50 5 IGBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)C(C)C ZINC000012381939 522720089 /nfs/dbraw/zinc/72/00/89/522720089.db2.gz KMTIGNUXHNEVSB-UHFFFAOYSA-N 0 0 442.472 3.287 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc21 ZINC000012401883 522972399 /nfs/dbraw/zinc/97/23/99/522972399.db2.gz BHGXJWFUAKETPO-ZDUSSCGKSA-N 0 0 434.408 3.387 50 5 IGBARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1OC ZINC000017096442 523262187 /nfs/dbraw/zinc/26/21/87/523262187.db2.gz WKPRTCXSQIXYJB-UHFFFAOYSA-N 0 0 429.458 3.138 50 5 IGBARN C[C@@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012751750 524355111 /nfs/dbraw/zinc/35/51/11/524355111.db2.gz YKUJIVRURUHOEV-OKILXGFUSA-N 0 0 443.953 3.438 50 5 IGBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc(Br)cc1 ZINC000012522942 525891029 /nfs/dbraw/zinc/89/10/29/525891029.db2.gz READJJRPSGXDIM-NSHDSACASA-N 0 0 437.246 3.190 50 5 IGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023561392 525988905 /nfs/dbraw/zinc/98/89/05/525988905.db2.gz LANWQHLLODMWPD-MGPUTAFESA-N 0 0 433.505 3.404 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000015882780 527053838 /nfs/dbraw/zinc/05/38/38/527053838.db2.gz XKFNUFUKFPCXPP-UHFFFAOYSA-N 0 0 426.454 3.012 50 5 IGBARN O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023411321 527152394 /nfs/dbraw/zinc/15/23/94/527152394.db2.gz FADJKTMUTREEAW-FQEVSTJZSA-N 0 0 442.435 3.456 50 5 IGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000020615348 527328063 /nfs/dbraw/zinc/32/80/63/527328063.db2.gz YFTMHKVPXCZSKZ-UHFFFAOYSA-N 0 0 438.322 3.385 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012514748 527339681 /nfs/dbraw/zinc/33/96/81/527339681.db2.gz NKXFEQFJUUVFOL-CHWSQXEVSA-N 0 0 437.440 3.149 50 5 IGBARN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022090430 527356092 /nfs/dbraw/zinc/35/60/92/527356092.db2.gz YQHUFERLDHZYHZ-UHFFFAOYSA-N 0 0 434.905 3.492 50 5 IGBARN Nn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1ccccc1Br ZINC000020508416 527584637 /nfs/dbraw/zinc/58/46/37/527584637.db2.gz AQEXKPDCMGGBGN-UHFFFAOYSA-N 0 0 446.290 3.498 50 5 IGBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1 ZINC000229959843 556412527 /nfs/dbraw/zinc/41/25/27/556412527.db2.gz LDHUAYZLDGRGGJ-RDPSFJRHSA-N 0 0 448.479 3.369 50 5 IGBARN COc1cc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000011024731 556433008 /nfs/dbraw/zinc/43/30/08/556433008.db2.gz LAWJCXVXEJCIHP-UHFFFAOYSA-N 0 0 431.470 3.366 50 5 IGBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000032858170 556434532 /nfs/dbraw/zinc/43/45/32/556434532.db2.gz PORDBUFTNUUACG-UHFFFAOYSA-N 0 0 448.435 3.369 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000013591306 556529365 /nfs/dbraw/zinc/52/93/65/556529365.db2.gz MCWBHPUGSASSAT-UTSGNWPNSA-N 0 0 428.448 3.366 50 5 IGBARN CC(=O)Nc1ccc(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)cc1 ZINC000038829442 556620800 /nfs/dbraw/zinc/62/08/00/556620800.db2.gz SBQBJLNXHFNVPD-UHFFFAOYSA-N 0 0 437.459 3.102 50 5 IGBARN COC(=O)c1cn(C)c(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C(=O)OC ZINC000032925944 556655192 /nfs/dbraw/zinc/65/51/92/556655192.db2.gz DWFJFQHAIFDLGT-UHFFFAOYSA-N 0 0 437.408 3.426 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000248250190 556677673 /nfs/dbraw/zinc/67/76/73/556677673.db2.gz IOOAFZCJSSRLCE-WTGUMLROSA-N 0 0 446.463 3.089 50 5 IGBARN COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1 ZINC000022997523 556838618 /nfs/dbraw/zinc/83/86/18/556838618.db2.gz UTVKQSQRCQFADD-UHFFFAOYSA-N 0 0 446.485 3.175 50 5 IGBARN O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022998278 556840825 /nfs/dbraw/zinc/84/08/25/556840825.db2.gz UOXMVILBGZUVJV-UHFFFAOYSA-N 0 0 430.461 3.323 50 5 IGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812260 557029439 /nfs/dbraw/zinc/02/94/39/557029439.db2.gz KLHMIETYFJIRNO-ZDUSSCGKSA-N 0 0 429.907 3.492 50 5 IGBARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000023177610 557035202 /nfs/dbraw/zinc/03/52/02/557035202.db2.gz DQOWIOMKLQXSBE-RTWAWAEBSA-N 0 0 443.525 3.332 50 5 IGBARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000048326235 557067394 /nfs/dbraw/zinc/06/73/94/557067394.db2.gz UHRYYRJPQXPWGG-UHFFFAOYSA-N 0 0 425.363 3.398 50 5 IGBARN Cc1c2ccccc2oc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000017368937 557068409 /nfs/dbraw/zinc/06/84/09/557068409.db2.gz SZMVZRYRXVHWJP-UHFFFAOYSA-N 0 0 443.481 3.015 50 5 IGBARN COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000014932865 557122709 /nfs/dbraw/zinc/12/27/09/557122709.db2.gz IFJYFLXZJIAXQW-ZDUSSCGKSA-N 0 0 438.937 3.463 50 5 IGBARN C[C@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100063892 557220385 /nfs/dbraw/zinc/22/03/85/557220385.db2.gz SQGZYCYQDLUUIW-NSHDSACASA-N 0 0 439.812 3.364 50 5 IGBARN O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000014678694 557352088 /nfs/dbraw/zinc/35/20/88/557352088.db2.gz HYWYXVYPOZLDJQ-UHFFFAOYSA-N 0 0 444.167 3.349 50 5 IGBARN C[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccc(Cl)cc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000102784414 557387817 /nfs/dbraw/zinc/38/78/17/557387817.db2.gz DEOADKIAIVZQSV-HNNXBMFYSA-N 0 0 442.903 3.470 50 5 IGBARN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000110327277 557513040 /nfs/dbraw/zinc/51/30/40/557513040.db2.gz WNOVVFABBDUNFQ-KRWDZBQOSA-N 0 0 433.411 3.426 50 5 IGBARN CC(=O)Oc1cc(OC(C)=O)c(C(=O)CCc2ccc([N+](=O)[O-])cc2)c(OC(C)=O)c1 ZINC000003125013 557842155 /nfs/dbraw/zinc/84/21/55/557842155.db2.gz UHNPDUILOJXGLV-UHFFFAOYSA-N 0 0 429.381 3.186 50 5 IGBARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000008927536 562966167 /nfs/dbraw/zinc/96/61/67/562966167.db2.gz HKAYHRPMGRETGB-HXUWFJFHSA-N 0 0 426.425 3.262 50 5 IGBARN Cc1sc2nc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C ZINC000009713753 562975819 /nfs/dbraw/zinc/97/58/19/562975819.db2.gz DRYIHVYWNKEEMT-UHFFFAOYSA-N 0 0 428.470 3.467 50 5 aggregator IGBARN O=C(COC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1ccccc1 ZINC000001054220 568653802 /nfs/dbraw/zinc/65/38/02/568653802.db2.gz BCJJNNMCWMPJCE-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000025373433 568653993 /nfs/dbraw/zinc/65/39/93/568653993.db2.gz ZDCYKGPTLJEFRY-UHFFFAOYSA-N 0 0 437.905 3.271 50 5 IGBARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000025356671 568654254 /nfs/dbraw/zinc/65/42/54/568654254.db2.gz QTRROGZLWGLQAO-SNVBAGLBSA-N 0 0 438.820 3.458 50 5 IGBARN Cc1nc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1I ZINC000001066534 568655571 /nfs/dbraw/zinc/65/55/71/568655571.db2.gz WBOPIPZBOSPWKL-UHFFFAOYSA-N 0 0 442.238 3.030 50 5 IGBARN COc1ccccc1C(=O)NC(NC(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000001182041 568735858 /nfs/dbraw/zinc/73/58/58/568735858.db2.gz VHZBCIRMICFDHP-UHFFFAOYSA-N 0 0 435.436 3.471 50 5 IGBARN CCOC(=O)c1cccc(COC(=O)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000016320033 568876850 /nfs/dbraw/zinc/87/68/50/568876850.db2.gz QWPRFKIGIJRESR-UHFFFAOYSA-N 0 0 430.413 3.242 50 5 IGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O ZINC000016394029 568887314 /nfs/dbraw/zinc/88/73/14/568887314.db2.gz GGGZREATRDDMKV-UHFFFAOYSA-N 0 0 436.468 3.365 50 5 IGBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@H](C(=O)OC)CC2 ZINC000001744126 568901014 /nfs/dbraw/zinc/90/10/14/568901014.db2.gz VTHYDVMQCWLZEO-YSKGHYERSA-N 0 0 430.438 3.298 50 5 IGBARN CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000006821291 569077862 /nfs/dbraw/zinc/07/78/62/569077862.db2.gz NPGAYBDFBQBWHP-HNNXBMFYSA-N 0 0 435.502 3.022 50 5 IGBARN C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2C1 ZINC000170594826 569141573 /nfs/dbraw/zinc/14/15/73/569141573.db2.gz GZICDCWGBKCXIZ-CQSZACIVSA-N 0 0 441.509 3.405 50 5 IGBARN COCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000170595756 569141718 /nfs/dbraw/zinc/14/17/18/569141718.db2.gz MAUQWCICVKPIKW-UHFFFAOYSA-N 0 0 435.864 3.202 50 5 IGBARN Cc1nn(CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000009910920 569150528 /nfs/dbraw/zinc/15/05/28/569150528.db2.gz YKVCGAVZQSILOT-UHFFFAOYSA-N 0 0 449.533 3.000 50 5 IGBARN COc1ccc(OC)c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000013972421 569157433 /nfs/dbraw/zinc/15/74/33/569157433.db2.gz KFGFWLOEMLDELM-UHFFFAOYSA-N 0 0 449.466 3.154 50 5 IGBARN C[C@@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014334622 569158587 /nfs/dbraw/zinc/15/85/87/569158587.db2.gz JXQFKOZOVHXGHH-OKILXGFUSA-N 0 0 446.470 3.420 50 5 IGBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc2c(c(Br)c1)OCO2 ZINC000089807743 569165057 /nfs/dbraw/zinc/16/50/57/569165057.db2.gz VSJAOAAXIVFPFQ-UHFFFAOYSA-N 0 0 432.230 3.357 50 5 IGBARN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 ZINC000170638851 569178655 /nfs/dbraw/zinc/17/86/55/569178655.db2.gz ATIXMRUJWLXGBI-KGLIPLIRSA-N 0 0 430.242 3.277 50 5 IGBARN CC(C)n1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccc(F)c(F)c2)c1=O ZINC000037560218 569201100 /nfs/dbraw/zinc/20/11/00/569201100.db2.gz DRVJFORBMXSDJT-UHFFFAOYSA-N 0 0 441.394 3.165 50 5 IGBARN O=C(c1ccco1)N(C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1)C1CCCC1 ZINC000037610232 569203084 /nfs/dbraw/zinc/20/30/84/569203084.db2.gz PXVAUVUWXDHMFG-IBGZPJMESA-N 0 0 427.457 3.114 50 5 IGBARN COCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000002302254 569271608 /nfs/dbraw/zinc/27/16/08/569271608.db2.gz CAKPPGPPGLMTMV-UHFFFAOYSA-N 0 0 429.480 3.388 50 5 IGBARN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1Cl ZINC000009525984 569297189 /nfs/dbraw/zinc/29/71/89/569297189.db2.gz MIBDIMYUQRSBSJ-ZDUSSCGKSA-N 0 0 431.832 3.091 50 5 IGBARN Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009591897 569297329 /nfs/dbraw/zinc/29/73/29/569297329.db2.gz KXWROHFMBCNONS-UHFFFAOYSA-N 0 0 443.415 3.440 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000010060092 569299278 /nfs/dbraw/zinc/29/92/78/569299278.db2.gz WERXXQCILSXQBI-LJQANCHMSA-N 0 0 436.428 3.131 50 5 IGBARN Cc1nn(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000012976171 569305538 /nfs/dbraw/zinc/30/55/38/569305538.db2.gz LBHZKRRYARYUQN-UHFFFAOYSA-N 0 0 447.801 3.177 50 5 IGBARN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013071685 569308772 /nfs/dbraw/zinc/30/87/72/569308772.db2.gz WHTGWVFEOMWCRU-UHFFFAOYSA-N 0 0 429.864 3.254 50 5 IGBARN C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013130890 569311267 /nfs/dbraw/zinc/31/12/67/569311267.db2.gz SEJUIEKSALSTOW-CQSZACIVSA-N 0 0 439.921 3.006 50 5 IGBARN CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000328592911 569317301 /nfs/dbraw/zinc/31/73/01/569317301.db2.gz VQWSIIKZMIVONS-FUHWJXTLSA-N 0 0 427.429 3.193 50 5 IGBARN Cc1cc(C2=CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966576 569320560 /nfs/dbraw/zinc/32/05/60/569320560.db2.gz OJCBKCVREAEZSO-QFIPXVFZSA-N 0 0 436.512 3.002 50 5 IGBARN CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000078968173 569320765 /nfs/dbraw/zinc/32/07/65/569320765.db2.gz KCXDJOKVOFQXEC-IBGZPJMESA-N 0 0 433.530 3.329 50 5 IGBARN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)n(C)c21 ZINC000079111701 569326150 /nfs/dbraw/zinc/32/61/50/569326150.db2.gz TURKMHVYOGHZFD-UHFFFAOYSA-N 0 0 429.502 3.187 50 5 IGBARN O=c1c2cccnc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCc1c[nH]c2ccccc12 ZINC000020356846 569361106 /nfs/dbraw/zinc/36/11/06/569361106.db2.gz OPVLKYFRPXOEQY-UHFFFAOYSA-N 0 0 441.447 3.239 50 5 IGBARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002636465 569412969 /nfs/dbraw/zinc/41/29/69/569412969.db2.gz ITZBQFKUYCOTFV-OAHLLOKOSA-N 0 0 440.408 3.486 50 5 IGBARN O=C(CS[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2F)C1=O)Nc1ccc(Cl)cc1 ZINC000002728213 569418060 /nfs/dbraw/zinc/41/80/60/569418060.db2.gz XHTFTOHCILTUQJ-HNNXBMFYSA-N 0 0 437.836 3.391 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000002881055 569423951 /nfs/dbraw/zinc/42/39/51/569423951.db2.gz KUJFQRWADZQGNH-UHFFFAOYSA-N 0 0 447.391 3.027 50 5 IGBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CS(=O)(=O)C2 ZINC000003008483 569435074 /nfs/dbraw/zinc/43/50/74/569435074.db2.gz KERKXIQCIHNKNZ-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN CC[C@H](C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccccc1 ZINC000003009196 569435276 /nfs/dbraw/zinc/43/52/76/569435276.db2.gz UWJGIEKJQMJZRX-KRWDZBQOSA-N 0 0 440.481 3.341 50 5 IGBARN CC(=O)Oc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O ZINC000003173701 569441283 /nfs/dbraw/zinc/44/12/83/569441283.db2.gz JXOYQNYNMDKAMU-VIZOYTHASA-N 0 0 444.783 3.443 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1I ZINC000003321923 569446043 /nfs/dbraw/zinc/44/60/43/569446043.db2.gz NWPYDOXPVFHHBC-UHFFFAOYSA-N 0 0 441.177 3.423 50 5 IGBARN O=c1c2ccccc2ncn1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058165806 569449197 /nfs/dbraw/zinc/44/91/97/569449197.db2.gz JEKBNDGTPDFQHL-UHFFFAOYSA-N 0 0 433.390 3.103 50 5 IGBARN Nc1cc([N+](=O)[O-])c(CCNC(=O)c2ccccc2)cc1CCNC(=O)c1ccccc1 ZINC000003845104 569456659 /nfs/dbraw/zinc/45/66/59/569456659.db2.gz DUVWZNOGXWOPJF-UHFFFAOYSA-N 0 0 432.480 3.122 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N(CC)c1ccccc1 ZINC000058908010 569458089 /nfs/dbraw/zinc/45/80/89/569458089.db2.gz LRSRVWOPZQONHA-UHFFFAOYSA-N 0 0 438.440 3.389 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004157388 569460504 /nfs/dbraw/zinc/46/05/04/569460504.db2.gz CLOUJLCDLCKLFV-YQMDMEMYSA-N 0 0 448.431 3.170 50 5 IGBARN CC(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008710324 569470877 /nfs/dbraw/zinc/47/08/77/569470877.db2.gz MCFPTPGHKUVIDN-LJQANCHMSA-N 0 0 430.486 3.300 50 5 IGBARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000008722154 569471778 /nfs/dbraw/zinc/47/17/78/569471778.db2.gz XBKJSDHHZMFCDJ-MRXNPFEDSA-N 0 0 446.441 3.329 50 5 IGBARN COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000008741468 569472836 /nfs/dbraw/zinc/47/28/36/569472836.db2.gz IZEUOUANXZFUSF-UHFFFAOYSA-N 0 0 442.472 3.287 50 5 IGBARN CCOc1ccc(NC(=S)NC(=O)c2nn(CC)cc2Br)c([N+](=O)[O-])c1 ZINC000008782549 569475849 /nfs/dbraw/zinc/47/58/49/569475849.db2.gz PUKNLHKWHKXKMX-UHFFFAOYSA-N 0 0 442.295 3.099 50 5 IGBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000008868280 569480367 /nfs/dbraw/zinc/48/03/67/569480367.db2.gz FACHAKSWPLDFJU-QGZVFWFLSA-N 0 0 436.486 3.193 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000040116240 569489257 /nfs/dbraw/zinc/48/92/57/569489257.db2.gz DEXZGVVRPALBHK-AWEZNQCLSA-N 0 0 430.490 3.112 50 5 IGBARN COc1cc(CCNC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000040141600 569491709 /nfs/dbraw/zinc/49/17/09/569491709.db2.gz QGPPNQBSFTYSJF-UHFFFAOYSA-N 0 0 428.363 3.369 50 5 IGBARN Cc1ccc(P(=Nc2cc([N+](=O)[O-])ccc2C)(N2CCOCC2)N2CCOCC2)o1 ZINC000009086687 569500683 /nfs/dbraw/zinc/50/06/83/569500683.db2.gz DLGWGQBRXHVVRC-UHFFFAOYSA-N 0 0 434.433 3.457 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000009223200 569512883 /nfs/dbraw/zinc/51/28/83/569512883.db2.gz JGWRKEKGLQIRDK-CQSZACIVSA-N 0 0 426.853 3.217 50 5 IGBARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009331629 569523056 /nfs/dbraw/zinc/52/30/56/569523056.db2.gz FSIMUIITLVUBGL-URFJDIBFSA-N 0 0 449.500 3.033 50 5 IGBARN COc1cc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC ZINC000009334822 569523217 /nfs/dbraw/zinc/52/32/17/569523217.db2.gz KQFDPKHNJIZYPD-UHFFFAOYSA-N 0 0 428.401 3.242 50 5 IGBARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009348888 569524612 /nfs/dbraw/zinc/52/46/12/569524612.db2.gz YAOJLVKSVMJFBW-URFJDIBFSA-N 0 0 449.500 3.033 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCCC1 ZINC000009356411 569525418 /nfs/dbraw/zinc/52/54/18/569525418.db2.gz SAJUQFANNUUSGS-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN NC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000009581204 569549155 /nfs/dbraw/zinc/54/91/55/569549155.db2.gz UGWBSZRNNNVCJP-UHFFFAOYSA-N 0 0 448.435 3.101 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 ZINC000009631383 569553792 /nfs/dbraw/zinc/55/37/92/569553792.db2.gz CMMNLQFEZFTXJV-UHFFFAOYSA-N 0 0 430.398 3.113 50 5 IGBARN COC(=O)c1ccc2c(c1)nc1c(Cl)cc(C(=O)c3cc(OC)ccc3O)cn1c2=O ZINC000009684716 569560537 /nfs/dbraw/zinc/56/05/37/569560537.db2.gz LOSICVDEZKQGQH-UHFFFAOYSA-N 0 0 438.823 3.233 50 5 IGBARN Cc1ccc(NC(=O)COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C ZINC000009705571 569561442 /nfs/dbraw/zinc/56/14/42/569561442.db2.gz LOYATFRRBSJTFK-UHFFFAOYSA-N 0 0 427.413 3.082 50 5 IGBARN O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn21)N1CCc2ccccc21 ZINC000009829071 569569903 /nfs/dbraw/zinc/56/99/03/569569903.db2.gz QMJNRHSVRRMBNJ-UHFFFAOYSA-N 0 0 432.465 3.381 50 5 IGBARN Cc1nc2c3ccccc3n3c(CCCC(=O)NCCc4ccc(C)cc4)nnc3n2n1 ZINC000009860223 569571818 /nfs/dbraw/zinc/57/18/18/569571818.db2.gz SYEIVIZWDYEZCA-UHFFFAOYSA-N 0 0 427.512 3.224 50 5 IGBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000009948190 569574174 /nfs/dbraw/zinc/57/41/74/569574174.db2.gz QPXWPAPNQYGTFO-AWEZNQCLSA-N 0 0 425.441 3.035 50 5 IGBARN CCc1nnc(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)s1 ZINC000010275783 569580414 /nfs/dbraw/zinc/58/04/14/569580414.db2.gz GZWYGKLHXRUEJI-UHFFFAOYSA-N 0 0 448.482 3.337 50 5 IGBARN O=C(c1ccc(I)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009805882 132225411 /nfs/dbraw/zinc/22/54/11/132225411.db2.gz ODGYRDJWWDJLGV-UHFFFAOYSA-N 0 0 437.237 3.162 50 5 IGBARN Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)sc3nc12 ZINC000004789462 132274227 /nfs/dbraw/zinc/27/42/27/132274227.db2.gz KMTDRZQUSMBYNA-UHFFFAOYSA-N 0 0 449.492 3.088 50 5 IGBARN CC(C)c1nn2c(nc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc2=O)s1 ZINC000005945216 132275708 /nfs/dbraw/zinc/27/57/08/132275708.db2.gz BDVHTXAJCZNAHG-UHFFFAOYSA-N 0 0 434.909 3.163 50 5 IGBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Br)cc1 ZINC000008814632 132294669 /nfs/dbraw/zinc/29/46/69/132294669.db2.gz BBACBASEUUGDOI-UHFFFAOYSA-N 0 0 449.330 3.194 50 5 IGBARN O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000009015875 132300795 /nfs/dbraw/zinc/30/07/95/132300795.db2.gz HDFBWUPOURTZNP-GOSISDBHSA-N 0 0 448.401 3.068 50 5 IGBARN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000009065530 132301736 /nfs/dbraw/zinc/30/17/36/132301736.db2.gz UBXCHRCQEZBZAJ-LJQANCHMSA-N 0 0 428.464 3.287 50 5 IGBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000009208756 132308617 /nfs/dbraw/zinc/30/86/17/132308617.db2.gz RDZAVAKNPGVDPM-CYBMUJFWSA-N 0 0 438.406 3.468 50 5 IGBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1C1CCCCC1 ZINC000009240794 132310335 /nfs/dbraw/zinc/31/03/35/132310335.db2.gz MYVMCYHPBXIZEG-XXBNENTESA-N 0 0 440.500 3.297 50 5 IGBARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000010428378 132335756 /nfs/dbraw/zinc/33/57/56/132335756.db2.gz NBZGNLRTTLXRRU-UHFFFAOYSA-N 0 0 444.875 3.464 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 ZINC000012561528 519593003 /nfs/dbraw/zinc/59/30/03/519593003.db2.gz ZGWZZIMLRDWVFB-ZDUSSCGKSA-N 0 0 432.427 3.033 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000012606244 519593069 /nfs/dbraw/zinc/59/30/69/519593069.db2.gz MIBRKDJCODDOGF-UHFFFAOYSA-N 0 0 430.892 3.189 50 5 IGBARN CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-] ZINC000016361859 520610188 /nfs/dbraw/zinc/61/01/88/520610188.db2.gz TURWPYXWMGFTRW-KRWDZBQOSA-N 0 0 426.429 3.274 50 5 IGBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000012619159 520809373 /nfs/dbraw/zinc/80/93/73/520809373.db2.gz SWQXIIVHAJZJRE-MRXNPFEDSA-N 0 0 431.792 3.423 50 5 IGBARN CCOC(=O)CSc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000020664118 520811256 /nfs/dbraw/zinc/81/12/56/520811256.db2.gz JQAYYJYZHPJIEF-UHFFFAOYSA-N 0 0 448.497 3.240 50 5 IGBARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000012564098 521273201 /nfs/dbraw/zinc/27/32/01/521273201.db2.gz MGBMZIQXQYZTJF-LJQANCHMSA-N 0 0 426.429 3.269 50 5 IGBARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 ZINC000016671465 522122450 /nfs/dbraw/zinc/12/24/50/522122450.db2.gz QTEKJJCGXRXMBB-UHFFFAOYSA-N 0 0 445.387 3.434 50 5 IGBARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)o2)c1 ZINC000012173567 522839224 /nfs/dbraw/zinc/83/92/24/522839224.db2.gz WYKGPOWWOWPJKK-UHFFFAOYSA-N 0 0 446.441 3.401 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000016046030 522978561 /nfs/dbraw/zinc/97/85/61/522978561.db2.gz NATKUGAZASMHAQ-UHFFFAOYSA-N 0 0 433.218 3.327 50 5 IGBARN COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCCCC2)=N1 ZINC000012417433 524007606 /nfs/dbraw/zinc/00/76/06/524007606.db2.gz OFGQHDCQIUIJQA-MRXNPFEDSA-N 0 0 443.407 3.150 50 5 IGBARN Cc1ccc2sc(N3CCN(CCNC(=O)c4ccc([N+](=O)[O-])s4)CC3)nc2c1C ZINC000012342240 524100684 /nfs/dbraw/zinc/10/06/84/524100684.db2.gz JDKMDMARLOKJNT-UHFFFAOYSA-N 0 0 445.570 3.435 50 5 IGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3nccn3C(F)F)c([N+](=O)[O-])c2)C1 ZINC000012544541 524101452 /nfs/dbraw/zinc/10/14/52/524101452.db2.gz GCJQPOCOIQQYHG-ZDUSSCGKSA-N 0 0 443.476 3.243 50 5 IGBARN Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c(C)c1 ZINC000012523149 524289220 /nfs/dbraw/zinc/28/92/20/524289220.db2.gz HLQGQDVSIAGMID-UHFFFAOYSA-N 0 0 446.529 3.355 50 5 IGBARN C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(Br)Br ZINC000012384399 525193744 /nfs/dbraw/zinc/19/37/44/525193744.db2.gz AXZVLSUWLUWFQV-CQSZACIVSA-N 0 0 447.127 3.140 50 5 IGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012926521 526082896 /nfs/dbraw/zinc/08/28/96/526082896.db2.gz BZSXOTRUXASZAK-ONOODXEBSA-N 0 0 429.498 3.368 50 5 IGBARN C[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccc(Cl)cc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000020740650 526214782 /nfs/dbraw/zinc/21/47/82/526214782.db2.gz DEOADKIAIVZQSV-OAHLLOKOSA-N 0 0 442.903 3.470 50 5 IGBARN Cc1cc(C(=O)N(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)C)c(C)o1 ZINC000035809462 526231295 /nfs/dbraw/zinc/23/12/95/526231295.db2.gz VHRNNUGKMTZUMU-UHFFFAOYSA-N 0 0 442.516 3.394 50 5 IGBARN Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000012871039 526249683 /nfs/dbraw/zinc/24/96/83/526249683.db2.gz PIXPXKPJASBVJF-UHFFFAOYSA-N 0 0 442.515 3.045 50 5 IGBARN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024544493 526506043 /nfs/dbraw/zinc/50/60/43/526506043.db2.gz QUZVWMGDYGTMLK-UHFFFAOYSA-N 0 0 432.480 3.217 50 5 IGBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl ZINC000012564745 527315831 /nfs/dbraw/zinc/31/58/31/527315831.db2.gz QWVAVQOIIJOFKD-LBPRGKRZSA-N 0 0 428.704 3.008 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012523289 527358975 /nfs/dbraw/zinc/35/89/75/527358975.db2.gz YHSGNZAGHMJDIA-JOCHJYFZSA-N 0 0 447.560 3.406 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000020614086 527375520 /nfs/dbraw/zinc/37/55/20/527375520.db2.gz LAYPYYBVPRJGJH-UHFFFAOYSA-N 0 0 430.313 3.408 50 5 IGBARN O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1 ZINC000022852826 527478807 /nfs/dbraw/zinc/47/88/07/527478807.db2.gz BBKDVFGXZNDPPO-UHFFFAOYSA-N 0 0 435.480 3.445 50 5 IGBARN CC1(C)OC(=O)C2(Cc3c(ccc([N+](=O)[O-])c3N3CCCCC3)N3CCCC[C@@H]32)C(=O)O1 ZINC000008738345 534985606 /nfs/dbraw/zinc/98/56/06/534985606.db2.gz OGIPQENSAODRFJ-GOSISDBHSA-N 0 0 443.500 3.323 50 5 IGBARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032797287 556363530 /nfs/dbraw/zinc/36/35/30/556363530.db2.gz QZHKPBRHCFOAAZ-FQEVSTJZSA-N 0 0 434.456 3.102 50 5 IGBARN O=C1NC2(CCCC2)C(=O)N1CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032829073 556413443 /nfs/dbraw/zinc/41/34/43/556413443.db2.gz UNTZANIPZFDHKW-UHFFFAOYSA-N 0 0 445.354 3.188 50 5 IGBARN O=C(CC1CCCC1)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000029333171 556472670 /nfs/dbraw/zinc/47/26/70/556472670.db2.gz JCHAIDCPDFZPOR-UHFFFAOYSA-N 0 0 431.536 3.406 50 5 IGBARN C[C@@](O)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 ZINC000072304243 556548490 /nfs/dbraw/zinc/54/84/90/556548490.db2.gz LFFPTSHUCSTGJT-LJQANCHMSA-N 0 0 441.406 3.447 50 5 IGBARN O=C(c1ccccc1)N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000032927105 556656114 /nfs/dbraw/zinc/65/61/14/556656114.db2.gz TYISCAJCWSHHPJ-UHFFFAOYSA-N 0 0 437.237 3.162 50 5 IGBARN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccccc2C(=S)N2CCOCC2)cc1[N+](=O)[O-] ZINC000013590268 556700467 /nfs/dbraw/zinc/70/04/67/556700467.db2.gz AISMRJDXVLPAOY-UHFFFAOYSA-N 0 0 431.426 3.038 50 5 IGBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000061942381 556762463 /nfs/dbraw/zinc/76/24/63/556762463.db2.gz LQKIQMYNVLNVGJ-UHFFFAOYSA-N 0 0 433.516 3.210 50 5 IGBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000024628241 557073236 /nfs/dbraw/zinc/07/32/36/557073236.db2.gz KHLSNDLGPMXCKJ-AWEZNQCLSA-N 0 0 426.878 3.288 50 5 IGBARN COc1ccc(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1[N+](=O)[O-] ZINC000011359002 557110887 /nfs/dbraw/zinc/11/08/87/557110887.db2.gz WTTRPYHPNMUBBK-UHFFFAOYSA-N 0 0 435.392 3.312 50 5 IGBARN CCOc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000011378577 557129896 /nfs/dbraw/zinc/12/98/96/557129896.db2.gz RFCAMKPPWDEWQY-OAQYLSRUSA-N 0 0 437.412 3.011 50 5 IGBARN Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057524776 557137659 /nfs/dbraw/zinc/13/76/59/557137659.db2.gz XBDLFYJUPNIOEF-GOSISDBHSA-N 0 0 433.512 3.451 50 5 IGBARN Cc1ccc(CNC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000727034 557151267 /nfs/dbraw/zinc/15/12/67/557151267.db2.gz LOWFALSFHFMHSZ-QFIPXVFZSA-N 0 0 443.459 3.427 50 5 IGBARN COCCNC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000025048347 557191001 /nfs/dbraw/zinc/19/10/01/557191001.db2.gz MYOGPDUKRJRJDR-UHFFFAOYSA-N 0 0 429.476 3.170 50 5 IGBARN N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 ZINC000100924074 557202344 /nfs/dbraw/zinc/20/23/44/557202344.db2.gz ZUAJBEDDPHTVIW-UHFFFAOYSA-N 0 0 449.514 3.149 50 5 IGBARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024900943 557205245 /nfs/dbraw/zinc/20/52/45/557205245.db2.gz GEEYSOOIGAJDEX-OAHLLOKOSA-N 0 0 427.457 3.390 50 5 IGBARN O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2 ZINC000102690979 557364280 /nfs/dbraw/zinc/36/42/80/557364280.db2.gz UZYQQRHVDXDQNW-IIAWOOMASA-N 0 0 439.474 3.140 50 5 IGBARN CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCC)[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000102745745 557377980 /nfs/dbraw/zinc/37/79/80/557377980.db2.gz RMBMDRRAVRFHAM-SFHVURJKSA-N 0 0 430.486 3.259 50 5 IGBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000102783272 557387649 /nfs/dbraw/zinc/38/76/49/557387649.db2.gz LPVNYCMLEMZXQI-NHCUHLMSSA-N 0 0 446.507 3.373 50 5 IGBARN C[C@@H]1CC(=O)N(c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000102785490 557388172 /nfs/dbraw/zinc/38/81/72/557388172.db2.gz XLAFFMXUIKCFEY-CQSZACIVSA-N 0 0 428.876 3.474 50 5 IGBARN CCc1nc(CC(C)C)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096317943 557451555 /nfs/dbraw/zinc/45/15/55/557451555.db2.gz TVDAYXVICDENQD-UHFFFAOYSA-N 0 0 425.533 3.405 50 5 IGBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014801343 557456964 /nfs/dbraw/zinc/45/69/64/557456964.db2.gz GJBIDUSRXYMXPT-UHFFFAOYSA-N 0 0 444.447 3.439 50 5 IGBARN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002101669 562925841 /nfs/dbraw/zinc/92/58/41/562925841.db2.gz SDLBNJCXSZNGDR-SECBINFHSA-N 0 0 441.227 3.358 50 5 IGBARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000009496052 562972292 /nfs/dbraw/zinc/97/22/92/562972292.db2.gz BRABPUOPWSCJOP-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009806330 562977025 /nfs/dbraw/zinc/97/70/25/562977025.db2.gz ZBCIQGTYGSVRSZ-LJQANCHMSA-N 0 0 431.514 3.103 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccccc1C(F)(F)F ZINC000009962393 562978074 /nfs/dbraw/zinc/97/80/74/562978074.db2.gz ZFOPXOBZFDHOIN-UHFFFAOYSA-N 0 0 446.403 3.214 50 5 IGBARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000034872087 568738685 /nfs/dbraw/zinc/73/86/85/568738685.db2.gz PESQUIJHARZZEO-XJKSGUPXSA-N 0 0 443.504 3.365 50 5 IGBARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000003401068 568748469 /nfs/dbraw/zinc/74/84/69/568748469.db2.gz SUQFBVCLGCISSB-ZDUSSCGKSA-N 0 0 434.445 3.277 50 5 IGBARN COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC ZINC000012571439 568750625 /nfs/dbraw/zinc/75/06/25/568750625.db2.gz IAPISRDXLSHTLB-UHFFFAOYSA-N 0 0 439.218 3.170 50 5 IGBARN CS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004144983 568781912 /nfs/dbraw/zinc/78/19/12/568781912.db2.gz ZBCRYHYDHKGZEG-UHFFFAOYSA-N 0 0 430.438 3.369 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137377772 568821362 /nfs/dbraw/zinc/82/13/62/568821362.db2.gz HELTVISIBNMGKY-PWRODBHTSA-N 0 0 431.404 3.352 50 5 IGBARN CC(=O)Oc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC(C)=O ZINC000001515651 568839587 /nfs/dbraw/zinc/83/95/87/568839587.db2.gz MYUSNXZZONXBAI-APSNUPSMSA-N 0 0 444.783 3.443 50 5 IGBARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)nn1 ZINC000015880784 568854271 /nfs/dbraw/zinc/85/42/71/568854271.db2.gz IAAQHLXTTZFRAM-UHFFFAOYSA-N 0 0 432.845 3.361 50 5 IGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989838 568861846 /nfs/dbraw/zinc/86/18/46/568861846.db2.gz GUDLRFKUINIPKG-MLHJIOFPSA-N 0 0 438.827 3.326 50 5 IGBARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012939628 568868715 /nfs/dbraw/zinc/86/87/15/568868715.db2.gz VJVTVJHOBOGEOZ-QGZVFWFLSA-N 0 0 425.413 3.055 50 5 IGBARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000016285722 568875342 /nfs/dbraw/zinc/87/53/42/568875342.db2.gz VMGFYSIRYRYHET-UHFFFAOYSA-N 0 0 433.486 3.223 50 5 IGBARN CCOc1cc2c(cc1CNC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000026386933 568877311 /nfs/dbraw/zinc/87/73/11/568877311.db2.gz FUUZDYTVNRGMST-OAHLLOKOSA-N 0 0 441.484 3.084 50 5 IGBARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000016384511 568886366 /nfs/dbraw/zinc/88/63/66/568886366.db2.gz HOTBTTIBYZDSOG-UHFFFAOYSA-N 0 0 442.497 3.483 50 5 IGBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000016399436 568887567 /nfs/dbraw/zinc/88/75/67/568887567.db2.gz PNSSDGKCNINLIH-HDICACEKSA-N 0 0 440.500 3.020 50 5 IGBARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC2 ZINC000013007959 568899503 /nfs/dbraw/zinc/89/95/03/568899503.db2.gz VABBFNZFFAOKOK-UHFFFAOYSA-N 0 0 426.878 3.321 50 5 IGBARN COC(=O)c1ccc(OC(=O)C=S([O-])c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000006580074 568931597 /nfs/dbraw/zinc/93/15/97/568931597.db2.gz DQWCKRMSORCXIS-LJAQVGFWSA-N 0 0 431.344 3.113 50 5 IGBARN COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000016676220 568937340 /nfs/dbraw/zinc/93/73/40/568937340.db2.gz MHWIMXMFLDLOJC-QGOAFFKASA-N 0 0 439.468 3.395 50 5 IGBARN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000017101416 569173534 /nfs/dbraw/zinc/17/35/34/569173534.db2.gz CSLOSYSXYMJDGA-UHFFFAOYSA-N 0 0 437.500 3.116 50 5 IGBARN Cc1ccccc1-n1c2ncn(Cc3cccc([N+](=O)[O-])c3)c2c(=O)n(CC(C)C)c1=O ZINC000037558517 569200762 /nfs/dbraw/zinc/20/07/62/569200762.db2.gz XTCOJTRUVUKLRN-UHFFFAOYSA-N 0 0 433.468 3.270 50 5 IGBARN COc1ccccc1-n1c2nc3ccccc3nc2c2c1ncn(C[C@H]1CCCO1)c2=O ZINC000002218241 569204042 /nfs/dbraw/zinc/20/40/42/569204042.db2.gz LFAOGNWRPNVLSP-OAHLLOKOSA-N 0 0 427.464 3.471 50 5 IGBARN COc1cc2c(cc1OC)-c1cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc(=O)n1CC2 ZINC000002357504 569285924 /nfs/dbraw/zinc/28/59/24/569285924.db2.gz XAYCZCUTUIQSPL-UHFFFAOYSA-N 0 0 440.368 3.092 50 5 IGBARN COCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(OC)cc2)c1=O ZINC000002375015 569289291 /nfs/dbraw/zinc/28/92/91/569289291.db2.gz CZLIUEQHJOZUKZ-UHFFFAOYSA-N 0 0 429.480 3.306 50 5 IGBARN O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F ZINC000009236643 569294697 /nfs/dbraw/zinc/29/46/97/569294697.db2.gz HOPSYIIWQAAEET-UHFFFAOYSA-N 0 0 425.347 3.117 50 5 IGBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 ZINC000009304975 569295196 /nfs/dbraw/zinc/29/51/96/569295196.db2.gz YXBPVGDBYUCOPR-UHFFFAOYSA-N 0 0 429.458 3.138 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000010060093 569299284 /nfs/dbraw/zinc/29/92/84/569299284.db2.gz MFOWQTXZPYKFLH-IBGZPJMESA-N 0 0 436.428 3.131 50 5 IGBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000002438289 569303926 /nfs/dbraw/zinc/30/39/26/569303926.db2.gz CHRKBUZXWDDVIR-UHFFFAOYSA-N 0 0 435.480 3.351 50 5 IGBARN COC(=O)c1c2cc(-c3ccco3)ncn2c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OC ZINC000019798675 569329828 /nfs/dbraw/zinc/32/98/28/569329828.db2.gz XCFYZWVIDZUCHA-UHFFFAOYSA-N 0 0 449.375 3.307 50 5 IGBARN O=C(NCc1nccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000095989287 569378231 /nfs/dbraw/zinc/37/82/31/569378231.db2.gz KIFXKACHSFYBDL-UHFFFAOYSA-N 0 0 449.511 3.191 50 5 IGBARN COc1cc(OC)c(C2=CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C)CC2)c(OC)c1 ZINC000027966944 569404833 /nfs/dbraw/zinc/40/48/33/569404833.db2.gz NYKPKSROAJCIFR-UHFFFAOYSA-N 0 0 448.497 3.407 50 5 IGBARN O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028193640 569408957 /nfs/dbraw/zinc/40/89/57/569408957.db2.gz NVNPRUVURZSOSX-HNNXBMFYSA-N 0 0 443.403 3.194 50 5 IGBARN O=C(CSc1nnc(NCc2ccccc2)s1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002618683 569410451 /nfs/dbraw/zinc/41/04/51/569410451.db2.gz SQHDVYSSNMTLQJ-UHFFFAOYSA-N 0 0 429.483 3.107 50 5 IGBARN COCCCNC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000002668420 569416033 /nfs/dbraw/zinc/41/60/33/569416033.db2.gz PZQNXXBBBQVQGD-UHFFFAOYSA-N 0 0 447.513 3.319 50 5 IGBARN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002778975 569421106 /nfs/dbraw/zinc/42/11/06/569421106.db2.gz UKAGBZPBUFMVHL-UHFFFAOYSA-N 0 0 434.806 3.134 50 5 IGBARN Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 ZINC000002792106 569421522 /nfs/dbraw/zinc/42/15/22/569421522.db2.gz ZZLFEXLZQWPOTQ-NSHDSACASA-N 0 0 426.458 3.397 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000002873115 569423862 /nfs/dbraw/zinc/42/38/62/569423862.db2.gz DMPFJZVQFACWFX-UHFFFAOYSA-N 0 0 429.454 3.161 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000029321059 569429564 /nfs/dbraw/zinc/42/95/64/569429564.db2.gz YADYBTMOJQHZOO-UHFFFAOYSA-N 0 0 443.478 3.278 50 5 IGBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc1[N+](=O)[O-] ZINC000003009000 569435080 /nfs/dbraw/zinc/43/50/80/569435080.db2.gz MUYULACJCBXBPU-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CS(=O)(=O)C2 ZINC000003008487 569435090 /nfs/dbraw/zinc/43/50/90/569435090.db2.gz LYVNQBAUROTDFU-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccccc1[N+](=O)[O-] ZINC000003008973 569435118 /nfs/dbraw/zinc/43/51/18/569435118.db2.gz CQBPIGLXSNHSQX-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000058160417 569448876 /nfs/dbraw/zinc/44/88/76/569448876.db2.gz FIJQUMVIXMAPTD-UHFFFAOYSA-N 0 0 437.269 3.257 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]2CN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000058157289 569449049 /nfs/dbraw/zinc/44/90/49/569449049.db2.gz KAKQGUIAUHZEBL-SFHVURJKSA-N 0 0 432.546 3.387 50 5 IGBARN COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000058160389 569449174 /nfs/dbraw/zinc/44/91/74/569449174.db2.gz FLVWNKYTVWSPSL-UHFFFAOYSA-N 0 0 449.305 3.127 50 5 IGBARN O=C(CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC000058172378 569449669 /nfs/dbraw/zinc/44/96/69/569449669.db2.gz LHESMMILGYYZBO-UHFFFAOYSA-N 0 0 437.269 3.257 50 5 IGBARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000030902145 569450772 /nfs/dbraw/zinc/45/07/72/569450772.db2.gz VDUCHJADHZJDLG-HXUWFJFHSA-N 0 0 442.435 3.456 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000058305051 569452761 /nfs/dbraw/zinc/45/27/61/569452761.db2.gz OOIUVNOZHJFVLB-CYBMUJFWSA-N 0 0 429.351 3.184 50 5 IGBARN O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000058313921 569452895 /nfs/dbraw/zinc/45/28/95/569452895.db2.gz 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COc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c(C)cc1[N+](=O)[O-] ZINC000009492057 569540493 /nfs/dbraw/zinc/54/04/93/569540493.db2.gz RJPDAKGNQVVPGV-UHFFFAOYSA-N 0 0 432.502 3.143 50 5 IGBARN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCCO2 ZINC000009492674 569540627 /nfs/dbraw/zinc/54/06/27/569540627.db2.gz XQGZENKQQWNBDT-UHFFFAOYSA-N 0 0 440.330 3.223 50 5 IGBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009509686 569542629 /nfs/dbraw/zinc/54/26/29/569542629.db2.gz CPZAQHPMFNBEEQ-UHFFFAOYSA-N 0 0 444.296 3.048 50 5 IGBARN COc1ccc(NC(=O)CCCn2nc([N+](=O)[O-])c(Br)c2C)cc1OC ZINC000009597966 569551004 /nfs/dbraw/zinc/55/10/04/569551004.db2.gz XZFOOEOUHCIXCP-UHFFFAOYSA-N 0 0 427.255 3.298 50 5 IGBARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000009980931 569576527 /nfs/dbraw/zinc/57/65/27/569576527.db2.gz SQCNWFXWHNXYCF-UHFFFAOYSA-N 0 0 428.397 3.279 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000010452741 569582313 /nfs/dbraw/zinc/58/23/13/569582313.db2.gz XMKFNPAUYGYOME-QGZVFWFLSA-N 0 0 426.816 3.381 50 5 IGBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)n1C1CC1 ZINC000009964017 132242837 /nfs/dbraw/zinc/24/28/37/132242837.db2.gz TVBLUKACTHQVTE-UHFFFAOYSA-N 0 0 427.457 3.224 50 5 IGBARN NC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000008997268 132300241 /nfs/dbraw/zinc/30/02/41/132300241.db2.gz BWMCRTJMEQZZSZ-UHFFFAOYSA-N 0 0 444.513 3.113 50 5 IGBARN CCCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 ZINC000009933570 132331916 /nfs/dbraw/zinc/33/19/16/132331916.db2.gz BYGSQWKVJOESKT-UHFFFAOYSA-N 0 0 443.456 3.016 50 5 IGBARN CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1[N+](=O)[O-] ZINC000013946133 132355569 /nfs/dbraw/zinc/35/55/69/132355569.db2.gz RVWHPVXCMUVKLO-UHFFFAOYSA-N 0 0 426.473 3.304 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 ZINC000012561791 519592361 /nfs/dbraw/zinc/59/23/61/519592361.db2.gz MRSVQTXFVZGBKG-CYBMUJFWSA-N 0 0 432.427 3.033 50 5 IGBARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023080901 519656898 /nfs/dbraw/zinc/65/68/98/519656898.db2.gz WBHKXMWHLOIJEB-UHFFFAOYSA-N 0 0 441.484 3.025 50 5 IGBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012528212 521553622 /nfs/dbraw/zinc/55/36/22/521553622.db2.gz QGIIZMQVFFMDNN-UHFFFAOYSA-N 0 0 440.500 3.231 50 5 IGBARN CCSc1ccccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000012587574 521771748 /nfs/dbraw/zinc/77/17/48/521771748.db2.gz ADWLGSKWWNADKG-UHFFFAOYSA-N 0 0 449.554 3.073 50 5 IGBARN COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001157462 522175133 /nfs/dbraw/zinc/17/51/33/522175133.db2.gz YPOMCWYFXDGECR-UHFFFAOYSA-N 0 0 436.873 3.484 50 5 IGBARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000021421533 522663936 /nfs/dbraw/zinc/66/39/36/522663936.db2.gz DDRGYFANXWXISH-ZDUSSCGKSA-N 0 0 432.429 3.031 50 5 IGBARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000012654394 523285346 /nfs/dbraw/zinc/28/53/46/523285346.db2.gz YLXNFYLMJIFWOP-UHFFFAOYSA-N 0 0 432.458 3.253 50 5 IGBARN CN(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000015769259 523325465 /nfs/dbraw/zinc/32/54/65/523325465.db2.gz YUQIZRBRNVBIGE-UHFFFAOYSA-N 0 0 439.493 3.449 50 5 IGBARN COCCNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1 ZINC000035709188 523922013 /nfs/dbraw/zinc/92/20/13/523922013.db2.gz VOFXFRCBSZFBCA-UHFFFAOYSA-N 0 0 446.891 3.477 50 5 IGBARN C[C@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012751756 524183907 /nfs/dbraw/zinc/18/39/07/524183907.db2.gz YKUJIVRURUHOEV-KBPBESRZSA-N 0 0 443.953 3.438 50 5 IGBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847602 524260442 /nfs/dbraw/zinc/26/04/42/524260442.db2.gz OMNJIWAUAAFJPA-AWEZNQCLSA-N 0 0 446.891 3.122 50 5 IGBARN COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC(C)C)[C@H]2C1 ZINC000035894528 524566820 /nfs/dbraw/zinc/56/68/20/524566820.db2.gz KMVKNOOGQWZODS-DENIHFKCSA-N 0 0 438.528 3.243 50 5 IGBARN Cc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000012805182 524858303 /nfs/dbraw/zinc/85/83/03/524858303.db2.gz IAMAOULIMYBLQQ-UHFFFAOYSA-N 0 0 435.477 3.390 50 5 IGBARN Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000009667886 525836520 /nfs/dbraw/zinc/83/65/20/525836520.db2.gz AJTFOWDRCCGCEW-UHFFFAOYSA-N 0 0 433.486 3.095 50 5 IGBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc(Br)cc1 ZINC000012522941 525892284 /nfs/dbraw/zinc/89/22/84/525892284.db2.gz READJJRPSGXDIM-LLVKDONJSA-N 0 0 437.246 3.190 50 5 IGBARN C[C@@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000016320208 525892659 /nfs/dbraw/zinc/89/26/59/525892659.db2.gz IXHYVNYBRHBLKV-OAHLLOKOSA-N 0 0 439.468 3.104 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000012754609 526084477 /nfs/dbraw/zinc/08/44/77/526084477.db2.gz QUAAFZFTSWAVIE-QGZVFWFLSA-N 0 0 445.541 3.224 50 5 IGBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000024628236 526213112 /nfs/dbraw/zinc/21/31/12/526213112.db2.gz KHLSNDLGPMXCKJ-CQSZACIVSA-N 0 0 426.878 3.288 50 5 IGBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000036056654 526678501 /nfs/dbraw/zinc/67/85/01/526678501.db2.gz OHQJZGUTAFDIPH-VBQJREDUSA-N 0 0 443.765 3.352 50 5 IGBARN O=C(c1ccc(F)cc1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000012429013 526689760 /nfs/dbraw/zinc/68/97/60/526689760.db2.gz XHWOWCBEASDOBM-KRWDZBQOSA-N 0 0 446.454 3.426 50 5 IGBARN O=C(c1ccccc1)c1ccc(NCCNS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012825269 526797888 /nfs/dbraw/zinc/79/78/88/526797888.db2.gz NABMZEFRGZNVSJ-UHFFFAOYSA-N 0 0 425.466 3.216 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000012732981 527339732 /nfs/dbraw/zinc/33/97/32/527339732.db2.gz BANYOCPGSNIMCB-UHFFFAOYSA-N 0 0 431.499 3.316 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nc2ccccc2s1 ZINC000012604605 527339995 /nfs/dbraw/zinc/33/99/95/527339995.db2.gz XPVVGRWCHYFJDC-UHFFFAOYSA-N 0 0 437.524 3.377 50 5 IGBARN O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(S(=O)(=O)N2CCCC2)c1 ZINC000012523060 527366640 /nfs/dbraw/zinc/36/66/40/527366640.db2.gz CQBSKBGQCFFTMY-UHFFFAOYSA-N 0 0 441.513 3.236 50 5 IGBARN O=c1c(Br)c(NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000009891960 527451274 /nfs/dbraw/zinc/45/12/74/527451274.db2.gz RHEXJVZSNKLTFE-UHFFFAOYSA-N 0 0 430.262 3.427 50 5 IGBARN Cc1nn(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C)c1[N+](=O)[O-] ZINC000012883647 527701370 /nfs/dbraw/zinc/70/13/70/527701370.db2.gz CDGXSGOKXQFNGB-UHFFFAOYSA-N 0 0 441.410 3.303 50 5 IGBARN O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008399257 556165313 /nfs/dbraw/zinc/16/53/13/556165313.db2.gz UOUZOAYEVARIEB-UHFFFAOYSA-N 0 0 430.270 3.351 50 5 IGBARN COc1cc(CCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000032788456 556350756 /nfs/dbraw/zinc/35/07/56/556350756.db2.gz SUMFDOLEKNAWNO-NRFANRHFSA-N 0 0 443.500 3.034 50 5 IGBARN Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c1 ZINC000229901361 556406635 /nfs/dbraw/zinc/40/66/35/556406635.db2.gz QKPDXHQQDFESEK-WMZHIEFXSA-N 0 0 434.452 3.088 50 5 IGBARN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000032854578 556432662 /nfs/dbraw/zinc/43/26/62/556432662.db2.gz QKMCHGNJDYTAGT-UHFFFAOYSA-N 0 0 429.429 3.008 50 5 IGBARN COc1cc(C(=O)NCc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c(OC)c1OC ZINC000072298047 556523292 /nfs/dbraw/zinc/52/32/92/556523292.db2.gz MBRLKOMWXNFGBV-UHFFFAOYSA-N 0 0 430.392 3.080 50 5 IGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000032909961 556578056 /nfs/dbraw/zinc/57/80/56/556578056.db2.gz PGPLOVWNOQUGNM-UHFFFAOYSA-N 0 0 443.437 3.404 50 5 IGBARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000032934445 556677516 /nfs/dbraw/zinc/67/75/16/556677516.db2.gz ZOMWAGKUCMFJIR-HXUWFJFHSA-N 0 0 443.891 3.087 50 5 IGBARN O=C(N/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1CCOCC1)c1ccccc1 ZINC000013552128 556696673 /nfs/dbraw/zinc/69/66/73/556696673.db2.gz XGNRFSSYOIPXAQ-SILNSSARSA-N 0 0 447.447 3.485 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013550588 556696679 /nfs/dbraw/zinc/69/66/79/556696679.db2.gz KJUOOIWMFCZXRI-FXKZBUDASA-N 0 0 449.500 3.318 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013550581 556696758 /nfs/dbraw/zinc/69/67/58/556696758.db2.gz KJUOOIWMFCZXRI-ZHSNQQFMSA-N 0 0 449.500 3.318 50 5 IGBARN CC(C)COC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013598727 556701406 /nfs/dbraw/zinc/70/14/06/556701406.db2.gz FSIMUIITLVUBGL-UGTOYMOASA-N 0 0 449.500 3.033 50 5 IGBARN O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1nccs1 ZINC000058180672 556770232 /nfs/dbraw/zinc/77/02/32/556770232.db2.gz DOLYWTRLHUTLNG-UHFFFAOYSA-N 0 0 446.517 3.492 50 5 IGBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000013941709 556974281 /nfs/dbraw/zinc/97/42/81/556974281.db2.gz CKPKWFAWIXRTBZ-ZDUSSCGKSA-N 0 0 428.445 3.373 50 5 IGBARN O=C1N/C(=C\c2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000013945545 556974487 /nfs/dbraw/zinc/97/44/87/556974487.db2.gz PFHYPNHTXBNKRQ-DHDCSXOGSA-N 0 0 449.204 3.292 50 5 IGBARN C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000023064160 556992239 /nfs/dbraw/zinc/99/22/39/556992239.db2.gz BLKCFUAYHPLJPJ-ZDUSSCGKSA-N 0 0 429.404 3.040 50 5 IGBARN O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(=O)Nc1ccccc1F ZINC000010723026 557021468 /nfs/dbraw/zinc/02/14/68/557021468.db2.gz XHMSXSSIBXABLY-UHFFFAOYSA-N 0 0 447.422 3.185 50 5 IGBARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000023177613 557035133 /nfs/dbraw/zinc/03/51/33/557035133.db2.gz DQOWIOMKLQXSBE-SFTDATJTSA-N 0 0 443.525 3.332 50 5 IGBARN CCN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000048326287 557065344 /nfs/dbraw/zinc/06/53/44/557065344.db2.gz ZXNIDVCDTIZJFR-IXDOHACOSA-N 0 0 425.551 3.267 50 5 IGBARN Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000000704499 557138364 /nfs/dbraw/zinc/13/83/64/557138364.db2.gz BKPOABIUFPRDTP-UHFFFAOYSA-N 0 0 431.246 3.407 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000024926291 557180010 /nfs/dbraw/zinc/18/00/10/557180010.db2.gz RWRDPFIOPVYAPO-NRFANRHFSA-N 0 0 441.531 3.172 50 5 IGBARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000100873086 557195917 /nfs/dbraw/zinc/19/59/17/557195917.db2.gz VEOCHFAYYAHSOD-REWNPNNESA-N 0 0 440.481 3.357 50 5 IGBARN COc1ccc(-n2c(O)c3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000100895128 557199278 /nfs/dbraw/zinc/19/92/78/557199278.db2.gz ZQUYTOZKARLXOD-IRLDBZIGSA-N 0 0 442.431 3.386 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000101141176 557262117 /nfs/dbraw/zinc/26/21/17/557262117.db2.gz QXKXXKPRTRPMRZ-UHFFFAOYSA-N 0 0 438.308 3.374 50 5 IGBARN N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 ZINC000100809489 557276427 /nfs/dbraw/zinc/27/64/27/557276427.db2.gz FRTRASVXZRSUEO-UHFFFAOYSA-N 0 0 427.508 3.044 50 5 IGBARN Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3ccccc3)c2=N)cc1 ZINC000100869811 557277694 /nfs/dbraw/zinc/27/76/94/557277694.db2.gz XIUDEHRWURNOAB-UHFFFAOYSA-N 0 0 449.514 3.415 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000102755963 557384138 /nfs/dbraw/zinc/38/41/38/557384138.db2.gz GZEQEFZTLJYHLO-YPAWHYETSA-N 0 0 445.431 3.347 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000105807057 557510890 /nfs/dbraw/zinc/51/08/90/557510890.db2.gz KLVCZFCNRQZKKU-ZHRMCQFGSA-N 0 0 428.448 3.366 50 5 IGBARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000001067591 562920278 /nfs/dbraw/zinc/92/02/78/562920278.db2.gz AWNQFKUYKLDTCI-UHFFFAOYSA-N 0 0 426.454 3.464 50 5 IGBARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000017968969 563022072 /nfs/dbraw/zinc/02/20/72/563022072.db2.gz BUROVQHSIRBAJH-UHFFFAOYSA-N 0 0 426.473 3.304 50 5 IGBARN CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 ZINC000025357569 568654151 /nfs/dbraw/zinc/65/41/51/568654151.db2.gz WZYFMJFDJFCOMW-UHFFFAOYSA-N 0 0 441.440 3.355 50 5 IGBARN Cc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Br ZINC000052537608 568658711 /nfs/dbraw/zinc/65/87/11/568658711.db2.gz HGVBUMXVEKVRAV-UHFFFAOYSA-N 0 0 433.306 3.426 50 5 IGBARN Cc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1Br ZINC000001142703 568660843 /nfs/dbraw/zinc/66/08/43/568660843.db2.gz JGAXZTGDEBOIQI-UHFFFAOYSA-N 0 0 442.291 3.070 50 5 IGBARN Cc1c(C(=O)NC(=S)Nc2ccc(I)cn2)cccc1[N+](=O)[O-] ZINC000001129507 568661267 /nfs/dbraw/zinc/66/12/67/568661267.db2.gz HNHGYLKTMGKTJS-UHFFFAOYSA-N 0 0 442.238 3.030 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000001162333 568664314 /nfs/dbraw/zinc/66/43/14/568664314.db2.gz IDTLTYZJXKJUOV-GOSISDBHSA-N 0 0 428.470 3.044 50 5 IGBARN CC(C)(C)NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000015143494 568721919 /nfs/dbraw/zinc/72/19/19/568721919.db2.gz VWLHZNLBSXHHQT-UHFFFAOYSA-N 0 0 438.575 3.055 50 5 IGBARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015769525 568822153 /nfs/dbraw/zinc/82/21/53/568822153.db2.gz NGEWJHOYQVLWAB-HNNXBMFYSA-N 0 0 446.481 3.198 50 5 IGBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001744130 568901040 /nfs/dbraw/zinc/90/10/40/568901040.db2.gz VTHYDVMQCWLZEO-PPGNKHEKSA-N 0 0 430.438 3.298 50 5 IGBARN CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006776838 568983592 /nfs/dbraw/zinc/98/35/92/568983592.db2.gz FRGXVJJPLNUXLP-OAQYLSRUSA-N 0 0 427.505 3.156 50 5 IGBARN CC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254430 568984775 /nfs/dbraw/zinc/98/47/75/568984775.db2.gz DHUKOXIVLDGWQB-UWJYYQICSA-N 0 0 430.549 3.074 50 5 IGBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 ZINC000138563277 569000715 /nfs/dbraw/zinc/00/07/15/569000715.db2.gz GOHDMJMWXUVVEM-RCCFBDPRSA-N 0 0 447.278 3.437 50 5 IGBARN Cc1ccn2cc(CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])nc2n1 ZINC000089700969 569161748 /nfs/dbraw/zinc/16/17/48/569161748.db2.gz FESNQSUMXVLDLT-UHFFFAOYSA-N 0 0 444.517 3.123 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000089929773 569167933 /nfs/dbraw/zinc/16/79/33/569167933.db2.gz HHLCRSRHISIMRX-AWEZNQCLSA-N 0 0 433.486 3.419 50 5 IGBARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc1c32 ZINC000002238959 569209581 /nfs/dbraw/zinc/20/95/81/569209581.db2.gz NWOIBRDLQNAMNO-UHFFFAOYSA-N 0 0 437.364 3.447 50 5 IGBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000253424012 569267102 /nfs/dbraw/zinc/26/71/02/569267102.db2.gz WMCKLUOMLYOINX-AWEZNQCLSA-N 0 0 447.492 3.057 50 5 IGBARN COc1cc(-c2nnc(Cn3cc([N+](=O)[O-])c(-c4nccs4)n3)o2)cc(OC)c1OC ZINC000253427452 569267378 /nfs/dbraw/zinc/26/73/78/569267378.db2.gz UGRGOXAHDIRHSR-UHFFFAOYSA-N 0 0 444.429 3.039 50 5 IGBARN CC(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917331 569292320 /nfs/dbraw/zinc/29/23/20/569292320.db2.gz ORYBOOCQJVQWDK-HXUWFJFHSA-N 0 0 446.525 3.313 50 5 IGBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000008927322 569292435 /nfs/dbraw/zinc/29/24/35/569292435.db2.gz FQYCKGRZLCKHGW-CYBMUJFWSA-N 0 0 447.241 3.136 50 5 IGBARN Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009426759 569296080 /nfs/dbraw/zinc/29/60/80/569296080.db2.gz IRFIKUAXPQLXBV-UHFFFAOYSA-N 0 0 429.433 3.019 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000010060091 569299323 /nfs/dbraw/zinc/29/93/23/569299323.db2.gz WERXXQCILSXQBI-IBGZPJMESA-N 0 0 436.428 3.131 50 5 IGBARN Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000013137605 569311383 /nfs/dbraw/zinc/31/13/83/569311383.db2.gz MAAOLICGTSWTEW-UHFFFAOYSA-N 0 0 427.442 3.288 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000013145318 569311563 /nfs/dbraw/zinc/31/15/63/569311563.db2.gz CGEYXIBPOXVLLP-AWEZNQCLSA-N 0 0 433.486 3.419 50 5 IGBARN CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000018217964 569316087 /nfs/dbraw/zinc/31/60/87/569316087.db2.gz MDVGXDXBXSSMHS-UHFFFAOYSA-N 0 0 429.502 3.122 50 5 IGBARN CCOc1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c([N+](=O)[O-])cc1OC ZINC000019473374 569320144 /nfs/dbraw/zinc/32/01/44/569320144.db2.gz MVFZNBMGZCHSKP-UHFFFAOYSA-N 0 0 429.381 3.474 50 5 IGBARN COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019889255 569331592 /nfs/dbraw/zinc/33/15/92/569331592.db2.gz JGXXFWDEMKXQCL-UHFFFAOYSA-N 0 0 434.290 3.324 50 5 IGBARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000095347698 569361452 /nfs/dbraw/zinc/36/14/52/569361452.db2.gz JMNXNOZYILVYLE-GOSISDBHSA-N 0 0 432.864 3.312 50 5 IGBARN CN(C(=O)CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)C1CCCCC1 ZINC000095444962 569367152 /nfs/dbraw/zinc/36/71/52/569367152.db2.gz YSBKCQRZSUTBMK-UHFFFAOYSA-N 0 0 441.532 3.159 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000096319515 569392310 /nfs/dbraw/zinc/39/23/10/569392310.db2.gz BEQLEQCMELEBAT-RTBURBONSA-N 0 0 434.404 3.090 50 5 IGBARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000096997399 569402778 /nfs/dbraw/zinc/40/27/78/569402778.db2.gz QVXJUJYTTPWJCR-LJQANCHMSA-N 0 0 431.876 3.310 50 5 IGBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028735440 569419358 /nfs/dbraw/zinc/41/93/58/569419358.db2.gz LUYIVNXKFQZBQU-UHFFFAOYSA-N 0 0 434.500 3.260 50 5 IGBARN Cc1c(C(=O)N(C)C)sc2ncn3nc([C@@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 ZINC000002792105 569421543 /nfs/dbraw/zinc/42/15/43/569421543.db2.gz ZZLFEXLZQWPOTQ-LLVKDONJSA-N 0 0 426.458 3.397 50 5 IGBARN O=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1cc2ncc(Br)cn2n1 ZINC000002793190 569421594 /nfs/dbraw/zinc/42/15/94/569421594.db2.gz YNBQJROOUCNZDZ-UHFFFAOYSA-N 0 0 442.176 3.296 50 5 IGBARN COC(=O)c1sc2ncn3nc(-c4cc([N+](=O)[O-])nn4Cc4ccccc4)nc3c2c1C ZINC000002793627 569422071 /nfs/dbraw/zinc/42/20/71/569422071.db2.gz IBTZUBDXCURNNH-UHFFFAOYSA-N 0 0 449.452 3.254 50 5 IGBARN CCOc1ccc(Cn2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cn2)cc1OCC ZINC000002805370 569422293 /nfs/dbraw/zinc/42/22/93/569422293.db2.gz JRNCEPASTCZBBB-UHFFFAOYSA-N 0 0 442.476 3.207 50 5 IGBARN CN(C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029118947 569427293 /nfs/dbraw/zinc/42/72/93/569427293.db2.gz IXTDYJXFZOGUEY-UHFFFAOYSA-N 0 0 437.422 3.184 50 5 IGBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1I ZINC000002979121 569433356 /nfs/dbraw/zinc/43/33/56/569433356.db2.gz GOVPPGBUKKQZRG-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CS(=O)(=O)C3)cc1 ZINC000003008556 569435105 /nfs/dbraw/zinc/43/51/05/569435105.db2.gz BBPLMBFDUXJLLP-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000029895786 569438118 /nfs/dbraw/zinc/43/81/18/569438118.db2.gz RJRHOVKOSFUZDG-WIYYLYMNSA-N 0 0 439.468 3.385 50 5 IGBARN COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000029939855 569439738 /nfs/dbraw/zinc/43/97/38/569439738.db2.gz BZGCSGLLRRMGLP-SFHVURJKSA-N 0 0 439.921 3.372 50 5 IGBARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000003309285 569445337 /nfs/dbraw/zinc/44/53/37/569445337.db2.gz FRBPBMMQVVXJNY-UHFFFAOYSA-N 0 0 429.816 3.194 50 5 IGBARN COc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c([N+](=O)[O-])cc1OC ZINC000003341030 569446901 /nfs/dbraw/zinc/44/69/01/569446901.db2.gz RNWRDSPGNUFCQR-UHFFFAOYSA-N 0 0 430.232 3.476 50 5 IGBARN CC(C)COC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000058178771 569449605 /nfs/dbraw/zinc/44/96/05/569449605.db2.gz SJRWVFNUNZSYOL-MRXNPFEDSA-N 0 0 431.445 3.406 50 5 IGBARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC ZINC000003434931 569450751 /nfs/dbraw/zinc/45/07/51/569450751.db2.gz LLBWKJQDPCRUIC-XBXARRHUSA-N 0 0 443.437 3.417 50 5 IGBARN Nn1c(COc2ccc(Cl)cc2)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003568870 569454137 /nfs/dbraw/zinc/45/41/37/569454137.db2.gz NWYRWORYPZCIJR-UHFFFAOYSA-N 0 0 449.876 3.291 50 5 IGBARN COc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000032437856 569461686 /nfs/dbraw/zinc/46/16/86/569461686.db2.gz OKYMDZXEXDFMIM-UHFFFAOYSA-N 0 0 433.417 3.408 50 5 IGBARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000008765828 569474806 /nfs/dbraw/zinc/47/48/06/569474806.db2.gz GHCHUYIYAJKVOT-UHFFFAOYSA-N 0 0 432.410 3.178 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008824255 569477168 /nfs/dbraw/zinc/47/71/68/569477168.db2.gz OSFREJOKMYJGEC-UHFFFAOYSA-N 0 0 441.440 3.449 50 5 IGBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008826469 569477562 /nfs/dbraw/zinc/47/75/62/569477562.db2.gz FOVBARYGHGOEMX-SNVBAGLBSA-N 0 0 442.255 3.490 50 5 IGBARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000069008772 569487462 /nfs/dbraw/zinc/48/74/62/569487462.db2.gz RZJZMFNRXCDEFY-UHFFFAOYSA-N 0 0 443.456 3.271 50 5 IGBARN O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000008935247 569487985 /nfs/dbraw/zinc/48/79/85/569487985.db2.gz GPVSCSAVHZUMGU-UHFFFAOYSA-N 0 0 425.466 3.107 50 5 IGBARN COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC ZINC000040134366 569490489 /nfs/dbraw/zinc/49/04/89/569490489.db2.gz HPERXAWMQGBLMT-OAHLLOKOSA-N 0 0 429.473 3.248 50 5 IGBARN COc1ccc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 ZINC000040157687 569494332 /nfs/dbraw/zinc/49/43/32/569494332.db2.gz NKQSYAQTRNSYMG-IOMROCGXSA-N 0 0 428.441 3.122 50 5 IGBARN C[C@H]1CCCCN1C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000245245846 569501233 /nfs/dbraw/zinc/50/12/33/569501233.db2.gz VDPZKOHTKXABQZ-SCTDSRPQSA-N 0 0 436.512 3.395 50 5 IGBARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245256791 569501399 /nfs/dbraw/zinc/50/13/99/569501399.db2.gz SYYZSHSUUWGNRU-BSWAZLHLSA-N 0 0 445.475 3.461 50 5 IGBARN CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000245255448 569501416 /nfs/dbraw/zinc/50/14/16/569501416.db2.gz IHGXQWDGNSOYBF-MYGLTJDJSA-N 0 0 445.475 3.463 50 5 IGBARN Cc1nn(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000009144546 569507316 /nfs/dbraw/zinc/50/73/16/569507316.db2.gz YHAVCHUTPKYSKW-UHFFFAOYSA-N 0 0 434.758 3.262 50 5 IGBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1 ZINC000009233702 569513917 /nfs/dbraw/zinc/51/39/17/569513917.db2.gz LDHUAYZLDGRGGJ-YKSBVNFPSA-N 0 0 448.479 3.165 50 5 IGBARN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000009283906 569518951 /nfs/dbraw/zinc/51/89/51/569518951.db2.gz LPWCNMHRRQGYAH-UHFFFAOYSA-N 0 0 441.484 3.421 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C ZINC000009499529 569541503 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O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000654136 193873981 /nfs/dbraw/zinc/87/39/81/193873981.db2.gz UQCAMPOHXLTRGV-QGZVFWFLSA-N 0 0 431.298 3.188 50 5 IGBARN O=C(N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)n2)CC1)C(F)(F)F ZINC000000889796 132233348 /nfs/dbraw/zinc/23/33/48/132233348.db2.gz HGNADKJXMAMJLS-UHFFFAOYSA-N 0 0 431.374 3.416 50 5 IGBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Br ZINC000004089894 132269525 /nfs/dbraw/zinc/26/95/25/132269525.db2.gz YAJDVGFJSPTIDX-UHFFFAOYSA-N 0 0 449.330 3.194 50 5 IGBARN Cc1nn(-c2cc(N3CCN(C(=O)C(C)(C)C)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000004199564 132270959 /nfs/dbraw/zinc/27/09/59/132270959.db2.gz DXJQAJAAWIBPIR-UHFFFAOYSA-N 0 0 449.511 3.297 50 5 IGBARN CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 ZINC000004199497 132271014 /nfs/dbraw/zinc/27/10/14/132271014.db2.gz PNXLRXSLRBTQCP-UHFFFAOYSA-N 0 0 448.589 3.303 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000004481721 132272209 /nfs/dbraw/zinc/27/22/09/132272209.db2.gz RVJXXCDSIYVQHS-UHFFFAOYSA-N 0 0 432.889 3.307 50 5 IGBARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000008441293 132282110 /nfs/dbraw/zinc/28/21/10/132282110.db2.gz GXXUMRMWBPHXIX-UHFFFAOYSA-N 0 0 433.486 3.484 50 5 IGBARN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000009008855 132300480 /nfs/dbraw/zinc/30/04/80/132300480.db2.gz ISINZYGXSGMVFQ-QGZVFWFLSA-N 0 0 428.464 3.287 50 5 IGBARN COc1ccccc1N1CCN(C(=O)c2cccn3c(=O)c4ccc(Cl)cc4nc23)CC1 ZINC000009475103 132318904 /nfs/dbraw/zinc/31/89/04/132318904.db2.gz ZXTYJDBOSSYKMD-UHFFFAOYSA-N 0 0 448.910 3.472 50 5 IGBARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000014126169 132356125 /nfs/dbraw/zinc/35/61/25/132356125.db2.gz FNQGKSXJRKIMRA-UHFFFAOYSA-N 0 0 446.891 3.174 50 5 IGBARN CC(=O)N1N=C(c2cc3c(cc2[N+](=O)[O-])OCO3)O[C@H]1c1cccc(Br)c1 ZINC000021092182 519638520 /nfs/dbraw/zinc/63/85/20/519638520.db2.gz TZXHYVNUUSCBPW-KRWDZBQOSA-N 0 0 434.202 3.325 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012515757 519732796 /nfs/dbraw/zinc/73/27/96/519732796.db2.gz IVLSEYPPNADVFY-UHFFFAOYSA-N 0 0 446.529 3.137 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000012558185 519732865 /nfs/dbraw/zinc/73/28/65/519732865.db2.gz NHNBEQPCACMPQQ-NRFANRHFSA-N 0 0 433.530 3.232 50 5 IGBARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947208 519882343 /nfs/dbraw/zinc/88/23/43/519882343.db2.gz VEXKUUAQQMPRLP-HXUWFJFHSA-N 0 0 441.463 3.463 50 5 IGBARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035945778 521089368 /nfs/dbraw/zinc/08/93/68/521089368.db2.gz PEANHYJDUYQSLN-SFHVURJKSA-N 0 0 444.513 3.219 50 5 IGBARN COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc([N+](=O)[O-])c1 ZINC000012804719 521814902 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IGBARN O=c1c2c3c(sc2nc2c4ccccc4c(NCCN4CCOCC4)nn12)CCCC3 ZINC000021548816 527460453 /nfs/dbraw/zinc/46/04/53/527460453.db2.gz VFQWLDFORJAOBF-UHFFFAOYSA-N 0 0 435.553 3.080 50 5 IGBARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016448923 527460608 /nfs/dbraw/zinc/46/06/08/527460608.db2.gz LNHCBCCRTYJSNP-UHFFFAOYSA-N 0 0 428.470 3.093 50 5 IGBARN O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1OCc1cccc([N+](=O)[O-])c1 ZINC000022852839 527478776 /nfs/dbraw/zinc/47/87/76/527478776.db2.gz HITIKBJEBKABGV-UHFFFAOYSA-N 0 0 435.480 3.445 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000032743525 556304021 /nfs/dbraw/zinc/30/40/21/556304021.db2.gz GCGQQNDGUKLJPC-UHFFFAOYSA-N 0 0 446.529 3.233 50 5 IGBARN Cc1cccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1[N+](=O)[O-] ZINC000032808565 556368825 /nfs/dbraw/zinc/36/88/25/556368825.db2.gz UFOINSRXGACEKV-UHFFFAOYSA-N 0 0 429.498 3.281 50 5 IGBARN COc1ccc(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(OC)c1 ZINC000032842225 556427742 /nfs/dbraw/zinc/42/77/42/556427742.db2.gz SFXGVIMGPXFFCH-AWEZNQCLSA-N 0 0 447.875 3.277 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000011084496 556537253 /nfs/dbraw/zinc/53/72/53/556537253.db2.gz BSIMLRZZIUCZSY-UHFFFAOYSA-N 0 0 435.392 3.312 50 5 IGBARN CCS(=O)(=O)N1CCC[C@@H](c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)C1 ZINC000013643749 556543011 /nfs/dbraw/zinc/54/30/11/556543011.db2.gz NEJAVJWRHIIMCT-CYBMUJFWSA-N 0 0 430.559 3.033 50 5 IGBARN Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3Cc3ccco3)c(=O)n2c1 ZINC000100627260 556634865 /nfs/dbraw/zinc/63/48/65/556634865.db2.gz VHWGAWAHYBPIAI-UHFFFAOYSA-N 0 0 439.475 3.008 50 5 IGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCNc4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000032926982 556656117 /nfs/dbraw/zinc/65/61/17/556656117.db2.gz QKPOWMLHNAFMTB-MRXNPFEDSA-N 0 0 430.530 3.448 50 5 IGBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812266 557029467 /nfs/dbraw/zinc/02/94/67/557029467.db2.gz KLHMIETYFJIRNO-CYBMUJFWSA-N 0 0 429.907 3.492 50 5 IGBARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000023177619 557035200 /nfs/dbraw/zinc/03/52/00/557035200.db2.gz DQOWIOMKLQXSBE-LEWJYISDSA-N 0 0 443.525 3.332 50 5 IGBARN COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000014932863 557122816 /nfs/dbraw/zinc/12/28/16/557122816.db2.gz IFJYFLXZJIAXQW-CYBMUJFWSA-N 0 0 438.937 3.463 50 5 IGBARN Cc1nn(CC(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000000651365 557125434 /nfs/dbraw/zinc/12/54/34/557125434.db2.gz NBLBDAYDKWSLLZ-UHFFFAOYSA-N 0 0 446.460 3.177 50 5 IGBARN COC(=O)[C@H](Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC(=O)c1ccccc1 ZINC000000705361 557139692 /nfs/dbraw/zinc/13/96/92/557139692.db2.gz QHNLEMNIGRWAGE-NRFANRHFSA-N 0 0 448.431 3.328 50 5 IGBARN C[C@@H](NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N)c1ccccc1 ZINC000100627284 557266434 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O=C(CF)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl ZINC000025808972 568782573 /nfs/dbraw/zinc/78/25/73/568782573.db2.gz SOMSHZVNIDWWOJ-VIFPVBQESA-N 0 0 438.095 3.317 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000059328808 568792779 /nfs/dbraw/zinc/79/27/79/568792779.db2.gz RTRAKUWHDQTGAJ-CQSZACIVSA-N 0 0 433.486 3.276 50 5 IGBARN C[C@@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)NC(=O)NC(C)(C)C ZINC000015816616 568839861 /nfs/dbraw/zinc/83/98/61/568839861.db2.gz XWNHMPFUWUDJON-CQSZACIVSA-N 0 0 434.493 3.001 50 5 IGBARN COc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000015835730 568841100 /nfs/dbraw/zinc/84/11/00/568841100.db2.gz SNBPXVQFRBSQEP-UHFFFAOYSA-N 0 0 434.905 3.094 50 5 IGBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000016183252 568872179 /nfs/dbraw/zinc/87/21/79/568872179.db2.gz OHQJZGUTAFDIPH-CKEIUWERSA-N 0 0 443.765 3.352 50 5 IGBARN CCOc1cc2c(cc1CNC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000026386937 568877319 /nfs/dbraw/zinc/87/73/19/568877319.db2.gz FUUZDYTVNRGMST-HNNXBMFYSA-N 0 0 441.484 3.084 50 5 IGBARN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016383656 568886178 /nfs/dbraw/zinc/88/61/78/568886178.db2.gz SYXSFDQAZHWSFU-UHFFFAOYSA-N 0 0 438.465 3.428 50 5 IGBARN O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000137866142 568893889 /nfs/dbraw/zinc/89/38/89/568893889.db2.gz GZEQEFZTLJYHLO-BHDDXSALSA-N 0 0 445.431 3.347 50 5 IGBARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000013014199 568901855 /nfs/dbraw/zinc/90/18/55/568901855.db2.gz VSSCMMPTBCRBIU-UHFFFAOYSA-N 0 0 430.413 3.356 50 5 IGBARN CC(C)n1cc(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c([N+](=O)[O-])ccc23)c2ccccc21 ZINC000524730800 569126183 /nfs/dbraw/zinc/12/61/83/569126183.db2.gz XSHNDHSQHLOTRL-FUHWJXTLSA-N 0 0 434.496 3.481 50 5 IGBARN CCOC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(Cc2ccccc2)c1C ZINC000170597418 569142068 /nfs/dbraw/zinc/14/20/68/569142068.db2.gz TWRMQYHAIXCVHO-OAQYLSRUSA-N 0 0 436.468 3.491 50 5 IGBARN N=c1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 ZINC000016779448 569162008 /nfs/dbraw/zinc/16/20/08/569162008.db2.gz BOVRCAKNQFWMTI-UHFFFAOYSA-N 0 0 442.504 3.080 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1 ZINC000089793293 569164084 /nfs/dbraw/zinc/16/40/84/569164084.db2.gz WXWVQQBVIRQADG-UHFFFAOYSA-N 0 0 443.275 3.171 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000017044421 569171402 /nfs/dbraw/zinc/17/14/02/569171402.db2.gz XTYQJDDJSCXYNN-GQOCTPOGSA-N 0 0 428.448 3.366 50 5 IGBARN CC(C)CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O ZINC000002146926 569187014 /nfs/dbraw/zinc/18/70/14/569187014.db2.gz MHXRDIPADVDYNS-REWPJTCUSA-N 0 0 432.480 3.417 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732450 569257882 /nfs/dbraw/zinc/25/78/82/569257882.db2.gz XTYQJDDJSCXYNN-JKHABCDFSA-N 0 0 428.448 3.366 50 5 IGBARN Cn1c(CCC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009327592 569295532 /nfs/dbraw/zinc/29/55/32/569295532.db2.gz FXWKMCDMHRFQBF-UHFFFAOYSA-N 0 0 443.460 3.409 50 5 IGBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(I)c1 ZINC000009846236 569298157 /nfs/dbraw/zinc/29/81/57/569298157.db2.gz RIJDIUYFTZMIET-UHFFFAOYSA-N 0 0 445.213 3.465 50 5 IGBARN CCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccc(C)cn1c2=O ZINC000002426814 569302649 /nfs/dbraw/zinc/30/26/49/569302649.db2.gz BDZMKQRUIKSUHM-UHFFFAOYSA-N 0 0 436.537 3.378 50 5 IGBARN CCOc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020289946 569359238 /nfs/dbraw/zinc/35/92/38/569359238.db2.gz QUHCPARHRGPOJG-UHFFFAOYSA-N 0 0 449.515 3.432 50 5 IGBARN Cc1cnn([C@H]2CCCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 ZINC000095451738 569367864 /nfs/dbraw/zinc/36/78/64/569367864.db2.gz XMBQDRGTGKUKQJ-AWEZNQCLSA-N 0 0 440.241 3.182 50 5 IGBARN CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 ZINC000095971864 569377532 /nfs/dbraw/zinc/37/75/32/569377532.db2.gz FBLAZQMEPOWRNK-UHFFFAOYSA-N 0 0 436.262 3.387 50 5 IGBARN NC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000095979972 569377928 /nfs/dbraw/zinc/37/79/28/569377928.db2.gz YKRPHCZTQZOGJD-QFIPXVFZSA-N 0 0 447.451 3.384 50 5 IGBARN CC[C@@H](C)c1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CCN(C(=O)COC)CC2)n1 ZINC000096317125 569393215 /nfs/dbraw/zinc/39/32/15/569393215.db2.gz AVGIQJYVWCLHML-MRXNPFEDSA-N 0 0 441.532 3.093 50 5 IGBARN O=C1[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCN1c1ccccc1F ZINC000225550606 569404329 /nfs/dbraw/zinc/40/43/29/569404329.db2.gz PTDDLMNGJPQCCY-LBPRGKRZSA-N 0 0 448.259 3.125 50 5 IGBARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)c(C)c1 ZINC000002753388 569420382 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COc1cccc(N2C(=O)[C@@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)c1 ZINC000008660774 569469764 /nfs/dbraw/zinc/46/97/64/569469764.db2.gz VMPFVFMNGIIDLS-MOPGFXCFSA-N 0 0 449.444 3.418 50 5 IGBARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000008762493 569474326 /nfs/dbraw/zinc/47/43/26/569474326.db2.gz HFUYQEBVCSJNCR-UHFFFAOYSA-N 0 0 431.514 3.039 50 5 IGBARN COc1cc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000008825602 569477474 /nfs/dbraw/zinc/47/74/74/569477474.db2.gz VJHSDHFQJJZUKF-UHFFFAOYSA-N 0 0 444.227 3.418 50 5 IGBARN COc1ccc(CCC2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000040023350 569482691 /nfs/dbraw/zinc/48/26/91/569482691.db2.gz PWHLEFVWSHVIOY-UHFFFAOYSA-N 0 0 439.468 3.383 50 5 IGBARN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CCC1=CCCCC1 ZINC000040050067 569484144 /nfs/dbraw/zinc/48/41/44/569484144.db2.gz MXNCXCHJUYUQTK-UHFFFAOYSA-N 0 0 426.473 3.047 50 5 IGBARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000040153498 569493603 /nfs/dbraw/zinc/49/36/03/569493603.db2.gz HUCVFFQIWCKHHC-UHFFFAOYSA-N 0 0 440.525 3.266 50 5 IGBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000009119417 569503523 /nfs/dbraw/zinc/50/35/23/569503523.db2.gz MOEGWNUQLMSJQT-AAEUAGOBSA-N 0 0 425.363 3.370 50 5 IGBARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 ZINC000009129825 569505883 /nfs/dbraw/zinc/50/58/83/569505883.db2.gz LFHPADREZIEYLQ-UHFFFAOYSA-N 0 0 429.230 3.464 50 5 IGBARN COc1cccc2sc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)nc21 ZINC000009313780 569522014 /nfs/dbraw/zinc/52/20/14/569522014.db2.gz ZEAZEZAURYJMDI-UHFFFAOYSA-N 0 0 437.437 3.320 50 5 IGBARN C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000009364303 569526030 /nfs/dbraw/zinc/52/60/30/569526030.db2.gz QELIFPSKOLQNNX-CYBMUJFWSA-N 0 0 426.878 3.409 50 5 IGBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000009373159 569526997 /nfs/dbraw/zinc/52/69/97/569526997.db2.gz KKYXRQMYWMLZAF-MRXNPFEDSA-N 0 0 431.792 3.423 50 5 IGBARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000009373462 569527015 /nfs/dbraw/zinc/52/70/15/569527015.db2.gz MMFUZPZMPBZQBD-SFHVURJKSA-N 0 0 428.470 3.044 50 5 IGBARN CN(CC(=O)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000009461979 569537182 /nfs/dbraw/zinc/53/71/82/569537182.db2.gz FKHGQVAWTMATCA-UHFFFAOYSA-N 0 0 435.355 3.102 50 5 IGBARN COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000009510014 569542678 /nfs/dbraw/zinc/54/26/78/569542678.db2.gz HAVVIICFQCWXSR-JTQLQIEISA-N 0 0 438.820 3.458 50 5 IGBARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000009510015 569542720 /nfs/dbraw/zinc/54/27/20/569542720.db2.gz HAVVIICFQCWXSR-SNVBAGLBSA-N 0 0 438.820 3.458 50 5 IGBARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000009631139 569553687 /nfs/dbraw/zinc/55/36/87/569553687.db2.gz GKTBCUIYLJTCLC-QGZVFWFLSA-N 0 0 439.468 3.309 50 5 IGBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000009644850 569556064 /nfs/dbraw/zinc/55/60/64/569556064.db2.gz POSCVKWBVDBPES-UHFFFAOYSA-N 0 0 446.510 3.461 50 5 IGBARN O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn21)NCc1ccc(F)cc1 ZINC000009829068 569569936 /nfs/dbraw/zinc/56/99/36/569569936.db2.gz ZVKIJHCYTIGKRG-UHFFFAOYSA-N 0 0 438.444 3.247 50 5 IGBARN CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000009892078 569572971 /nfs/dbraw/zinc/57/29/71/569572971.db2.gz UEIWNCYVWYGVCA-UHFFFAOYSA-N 0 0 448.932 3.484 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000009956631 569574771 /nfs/dbraw/zinc/57/47/71/569574771.db2.gz ORFMOERPPXUDPA-UHFFFAOYSA-N 0 0 433.218 3.327 50 5 IGBARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000010275879 569580416 /nfs/dbraw/zinc/58/04/16/569580416.db2.gz OSBWXKXYDJHOKV-UHFFFAOYSA-N 0 0 446.799 3.224 50 5 IGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000010386745 569581809 /nfs/dbraw/zinc/58/18/09/569581809.db2.gz HLTOXEJKMIRCKN-KPKJPENVSA-N 0 0 441.509 3.418 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000010452738 569582298 /nfs/dbraw/zinc/58/22/98/569582298.db2.gz XMKFNPAUYGYOME-KRWDZBQOSA-N 0 0 426.816 3.381 50 5 IGBARN Cc1cccc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])CC2)c1C ZINC000009492956 132232326 /nfs/dbraw/zinc/23/23/26/132232326.db2.gz AMXIABYPTSSFNK-UHFFFAOYSA-N 0 0 444.557 3.323 50 5 IGBARN CCCCc1nn2c(nc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)cc2=O)s1 ZINC000005946673 132275723 /nfs/dbraw/zinc/27/57/23/132275723.db2.gz WXRUNGIAGMITCT-UHFFFAOYSA-N 0 0 448.936 3.382 50 5 IGBARN CCCOC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000009934576 132332060 /nfs/dbraw/zinc/33/20/60/132332060.db2.gz YJMBNMLTQBDOCG-UHFFFAOYSA-N 0 0 443.456 3.016 50 5 IGBARN COc1cccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000013039980 132343195 /nfs/dbraw/zinc/34/31/95/132343195.db2.gz MXFTUOLOEZZALZ-UHFFFAOYSA-N 0 0 438.406 3.383 50 5 IGBARN CC(C)C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1Cc2ccccc2C1=O ZINC000020531355 519770049 /nfs/dbraw/zinc/77/00/49/519770049.db2.gz LGSXDYQOZYALHN-QFIPXVFZSA-N 0 0 436.512 3.314 50 5 IGBARN CCCCn1c2nc(COc3cc(F)ccc3[N+](=O)[O-])n(CCC(C)C)c2c(=O)[nH]c1=O ZINC000018250272 521378067 /nfs/dbraw/zinc/37/80/67/521378067.db2.gz SFVHSDXZDIQGBD-UHFFFAOYSA-N 0 0 447.467 3.359 50 5 IGBARN CNc1ccc([N+](=O)[O-])cc1-n1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C ZINC000020443065 522642729 /nfs/dbraw/zinc/64/27/29/522642729.db2.gz BAPSMMFJTHIYBB-UHFFFAOYSA-N 0 0 439.859 3.298 50 5 IGBARN COc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000012566180 523769779 /nfs/dbraw/zinc/76/97/79/523769779.db2.gz RRDBBHYWZINANU-UHFFFAOYSA-N 0 0 433.726 3.466 50 5 IGBARN Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C ZINC000022097543 524565787 /nfs/dbraw/zinc/56/57/87/524565787.db2.gz QMOLTNOLKRYBDJ-CVEARBPZSA-N 0 0 425.441 3.135 50 5 IGBARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000012521921 525151698 /nfs/dbraw/zinc/15/16/98/525151698.db2.gz YVGIRACILXXVID-QGZVFWFLSA-N 0 0 425.489 3.070 50 5 IGBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000012565107 525710329 /nfs/dbraw/zinc/71/03/29/525710329.db2.gz FOPARWXVNLJARA-CQSZACIVSA-N 0 0 438.937 3.357 50 5 IGBARN C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020789748 525882668 /nfs/dbraw/zinc/88/26/68/525882668.db2.gz CADMMJLJWKRANI-JTQLQIEISA-N 0 0 440.239 3.202 50 5 IGBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022907627 526493857 /nfs/dbraw/zinc/49/38/57/526493857.db2.gz YDCIONDKHZMYOQ-FQEVSTJZSA-N 0 0 434.452 3.042 50 5 IGBARN O=C(NCc1ccc(F)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000020664353 526674727 /nfs/dbraw/zinc/67/47/27/526674727.db2.gz MMJPFEVRYHNFIY-UHFFFAOYSA-N 0 0 435.459 3.386 50 5 IGBARN O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000015481613 526913881 /nfs/dbraw/zinc/91/38/81/526913881.db2.gz YLCGIQURLLAULP-UHFFFAOYSA-N 0 0 436.367 3.073 50 5 IGBARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012592042 527145155 /nfs/dbraw/zinc/14/51/55/527145155.db2.gz CSTTYEZYKPEGCD-SFHVURJKSA-N 0 0 446.916 3.400 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012514751 527339863 /nfs/dbraw/zinc/33/98/63/527339863.db2.gz NKXFEQFJUUVFOL-QWHCGFSZSA-N 0 0 437.440 3.149 50 5 IGBARN O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000016393367 527518138 /nfs/dbraw/zinc/51/81/38/527518138.db2.gz IVTYULKILJKVRZ-QZTJIDSGSA-N 0 0 440.500 3.020 50 5 IGBARN CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000010532311 535109383 /nfs/dbraw/zinc/10/93/83/535109383.db2.gz DNOZKMFGIDSVGP-UHFFFAOYSA-N 0 0 425.485 3.398 50 5 IGBARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000032744729 556304964 /nfs/dbraw/zinc/30/49/64/556304964.db2.gz YTGQBGUZKWPHCK-IBGZPJMESA-N 0 0 441.484 3.426 50 5 IGBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2cccn2)nc1 ZINC000032795102 556356068 /nfs/dbraw/zinc/35/60/68/556356068.db2.gz YRUFUJMOTLFFNV-UHFFFAOYSA-N 0 0 449.393 3.106 50 5 IGBARN COc1ccc2cc(CNS(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)ccc2c1 ZINC000032895822 556515358 /nfs/dbraw/zinc/51/53/58/556515358.db2.gz HBIXGFVUDZPEMK-UHFFFAOYSA-N 0 0 444.465 3.396 50 5 IGBARN C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000016320209 556600357 /nfs/dbraw/zinc/60/03/57/556600357.db2.gz IXHYVNYBRHBLKV-HNNXBMFYSA-N 0 0 439.468 3.104 50 5 IGBARN O=C(c1ccco1)N(C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1)C1CCCC1 ZINC000037610235 556646452 /nfs/dbraw/zinc/64/64/52/556646452.db2.gz PXVAUVUWXDHMFG-LJQANCHMSA-N 0 0 427.457 3.114 50 5 IGBARN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000013847066 556745089 /nfs/dbraw/zinc/74/50/89/556745089.db2.gz GFMKNSRWFKVOLM-UHFFFAOYSA-N 0 0 439.493 3.267 50 5 IGBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000096765388 556842508 /nfs/dbraw/zinc/84/25/08/556842508.db2.gz SHAICIFBYHGNET-UHFFFAOYSA-N 0 0 440.481 3.453 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732329 556980851 /nfs/dbraw/zinc/98/08/51/556980851.db2.gz MCWBHPUGSASSAT-JLGINSKQSA-N 0 0 428.448 3.366 50 5 IGBARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000011247721 557000458 /nfs/dbraw/zinc/00/04/58/557000458.db2.gz HKRYFJKTMNMEFQ-UHFFFAOYSA-N 0 0 449.532 3.352 50 5 IGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023108206 557002459 /nfs/dbraw/zinc/00/24/59/557002459.db2.gz ZDVQMGLKVNZXBY-NRFANRHFSA-N 0 0 441.509 3.100 50 5 IGBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023154945 557027735 /nfs/dbraw/zinc/02/77/35/557027735.db2.gz IXQAGSAANIGYKR-JOCHJYFZSA-N 0 0 442.491 3.137 50 5 IGBARN CN(C(=O)Cn1nc(I)c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000225825466 557352569 /nfs/dbraw/zinc/35/25/69/557352569.db2.gz HMEMTJCVIIRIHJ-UHFFFAOYSA-N 0 0 442.257 3.340 50 5 IGBARN O=c1c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccccc2Cl)c(=O)n1C1CC1 ZINC000034694103 557848786 /nfs/dbraw/zinc/84/87/86/557848786.db2.gz QAVCMUUKGYBWFB-UHFFFAOYSA-N 0 0 437.843 3.294 50 5 IGBARN O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1F ZINC000003769736 560189426 /nfs/dbraw/zinc/18/94/26/560189426.db2.gz SUTWCVAGCYNDMY-SOFYXZRVSA-N 0 0 445.384 3.138 50 5 biogenic,in-vitro IGBARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000008685395 562962456 /nfs/dbraw/zinc/96/24/56/562962456.db2.gz MIVJWHYWYUQTTK-UHFFFAOYSA-N 0 0 425.319 3.368 50 5 IGBARN COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)cc1 ZINC000012414106 562982062 /nfs/dbraw/zinc/98/20/62/562982062.db2.gz BNTFUAUYISGAAR-UHFFFAOYSA-N 0 0 429.885 3.335 50 5 IGBARN COC(=O)Cc1c(C)c2c(OCC(=O)c3cccc([N+](=O)[O-])c3)cc(C)cc2oc1=O ZINC000001050233 568654222 /nfs/dbraw/zinc/65/42/22/568654222.db2.gz MLNLWPXAMXCRBX-UHFFFAOYSA-N 0 0 425.393 3.295 50 5 IGBARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001060701 568655205 /nfs/dbraw/zinc/65/52/05/568655205.db2.gz ABRLAXYTARDOAB-UHFFFAOYSA-N 0 0 439.497 3.420 50 5 IGBARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2oc1=O ZINC000001120601 568660068 /nfs/dbraw/zinc/66/00/68/568660068.db2.gz YTWVZOQOWPLEEH-UHFFFAOYSA-N 0 0 425.393 3.295 50 5 IGBARN CC[C@@]1(C(=O)c2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC ZINC000001158317 568662603 /nfs/dbraw/zinc/66/26/03/568662603.db2.gz YLLSVCGTADBTTM-UTKZUKDTSA-N 0 0 429.400 3.443 50 5 IGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001159562 568662849 /nfs/dbraw/zinc/66/28/49/568662849.db2.gz XGIOGTKVHLCNSC-UHFFFAOYSA-N 0 0 444.399 3.284 50 5 IGBARN Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001169737 568664282 /nfs/dbraw/zinc/66/42/82/568664282.db2.gz AIKXTUQXRIHNAX-UHFFFAOYSA-N 0 0 439.493 3.415 50 5 IGBARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000001187915 568736340 /nfs/dbraw/zinc/73/63/40/568736340.db2.gz ONQSCDNLKPRECB-FGEXJBCWSA-N 0 0 440.455 3.446 50 5 IGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cc1F ZINC000001430647 568794824 /nfs/dbraw/zinc/79/48/24/568794824.db2.gz GSBSFNJIRVIOAK-UHFFFAOYSA-N 0 0 436.035 3.403 50 5 IGBARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000015545992 568797544 /nfs/dbraw/zinc/79/75/44/568797544.db2.gz LHGSCIVKOFWFJR-NRFANRHFSA-N 0 0 438.484 3.122 50 5 IGBARN CCCNC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006776839 568981465 /nfs/dbraw/zinc/98/14/65/568981465.db2.gz LLSCWQUYETXLNZ-NRFANRHFSA-N 0 0 427.505 3.158 50 5 IGBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000036332847 569076706 /nfs/dbraw/zinc/07/67/06/569076706.db2.gz ATWQAAQIKJQUBD-FRFSOERESA-N 0 0 441.502 3.159 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@H]3CC(N)=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000089614182 569159893 /nfs/dbraw/zinc/15/98/93/569159893.db2.gz PLQHRZIVONFFIZ-INIZCTEOSA-N 0 0 446.529 3.247 50 5 IGBARN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] ZINC000089942257 569168443 /nfs/dbraw/zinc/16/84/43/569168443.db2.gz VFDXDFRQADDSHX-LBPRGKRZSA-N 0 0 426.466 3.203 50 5 IGBARN CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2CC)cn1 ZINC000017099756 569173557 /nfs/dbraw/zinc/17/35/57/569173557.db2.gz RMZIHVQJQHAJBQ-UHFFFAOYSA-N 0 0 435.897 3.474 50 5 IGBARN Cc1nn(CC(=O)Nc2c(F)c(F)c(Br)c(F)c2F)c(C)c1[N+](=O)[O-] ZINC000002113258 569181954 /nfs/dbraw/zinc/18/19/54/569181954.db2.gz WXUNTNUQHXSSTN-UHFFFAOYSA-N 0 0 425.136 3.366 50 5 IGBARN COc1ccc(-n2cnc3c2ncnc3N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000019926013 569257235 /nfs/dbraw/zinc/25/72/35/569257235.db2.gz RLIPLKXPSXAZDP-UHFFFAOYSA-N 0 0 431.456 3.059 50 5 IGBARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1 ZINC000009327538 569295461 /nfs/dbraw/zinc/29/54/61/569295461.db2.gz KDSQMQILRGFQNK-UHFFFAOYSA-N 0 0 439.497 3.496 50 5 IGBARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000009970009 569298657 /nfs/dbraw/zinc/29/86/57/569298657.db2.gz GHZBFSCIHZIJBY-QGZVFWFLSA-N 0 0 448.497 3.207 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000013041914 569307595 /nfs/dbraw/zinc/30/75/95/569307595.db2.gz ZPIBNNPTMONINZ-AWEZNQCLSA-N 0 0 442.859 3.306 50 5 IGBARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020116773 569335132 /nfs/dbraw/zinc/33/51/32/569335132.db2.gz RWRISJUUVDTCJV-IBGZPJMESA-N 0 0 444.469 3.183 50 5 IGBARN Cc1cc2nc3c(nc2cc1NC(=O)C(F)(F)F)[nH]c(=O)n(CCc1ccccc1)c3=O ZINC000020151892 569336491 /nfs/dbraw/zinc/33/64/91/569336491.db2.gz OIOKSZHYKSLWGB-UHFFFAOYSA-N 0 0 443.385 3.097 50 5 IGBARN COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000095459434 569369523 /nfs/dbraw/zinc/36/95/23/569369523.db2.gz QBTFFARJIVSUGD-INIZCTEOSA-N 0 0 425.551 3.268 50 5 IGBARN O=C(CCOc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002474918 569404462 /nfs/dbraw/zinc/40/44/62/569404462.db2.gz HZJOTWRMNNLQHC-UHFFFAOYSA-N 0 0 433.467 3.292 50 5 IGBARN NS(=O)(=O)c1ccc(NC(=O)c2sccc2Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000002558741 569409397 /nfs/dbraw/zinc/40/93/97/569409397.db2.gz HKWOHDKXNYTSGQ-UHFFFAOYSA-N 0 0 437.430 3.487 50 5 IGBARN COc1cc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C ZINC000002840441 569423278 /nfs/dbraw/zinc/42/32/78/569423278.db2.gz HUSPLRKQWMBUKX-UHFFFAOYSA-N 0 0 446.485 3.333 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000002876614 569423846 /nfs/dbraw/zinc/42/38/46/569423846.db2.gz IKKVHXKVRSGDOM-UHFFFAOYSA-N 0 0 448.284 3.315 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccc(Cl)cc1 ZINC000003009118 569435115 /nfs/dbraw/zinc/43/51/15/569435115.db2.gz XJTDFGNYQYYLQE-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CS(=O)(=O)C3)c1C ZINC000003009546 569435124 /nfs/dbraw/zinc/43/51/24/569435124.db2.gz YGWOMWDQHQWCFC-UHFFFAOYSA-N 0 0 440.481 3.386 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1ccc(F)cc1F ZINC000057466846 569435520 /nfs/dbraw/zinc/43/55/20/569435520.db2.gz AHNUQFRKILKPLX-UHFFFAOYSA-N 0 0 427.411 3.182 50 5 IGBARN CC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000029895793 569438090 /nfs/dbraw/zinc/43/80/90/569438090.db2.gz RJRHOVKOSFUZDG-NQIIRXRSSA-N 0 0 439.468 3.385 50 5 IGBARN O=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000003099976 569440084 /nfs/dbraw/zinc/44/00/84/569440084.db2.gz UCXZFKULIHBEOE-UHFFFAOYSA-N 0 0 448.347 3.236 50 5 IGBARN CCc1ccc(N2C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 ZINC000003281889 569443917 /nfs/dbraw/zinc/44/39/17/569443917.db2.gz LLIAFENVGXOVDZ-HNNXBMFYSA-N 0 0 426.425 3.120 50 5 IGBARN O=C(COC(=O)c1cccc(I)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003338479 569446785 /nfs/dbraw/zinc/44/67/85/569446785.db2.gz AEPURAZAFQNWMA-UHFFFAOYSA-N 0 0 444.156 3.134 50 5 IGBARN COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O ZINC000008399467 569463220 /nfs/dbraw/zinc/46/32/20/569463220.db2.gz NTCOMBXIXKKWIG-OVCLIPMQSA-N 0 0 445.409 3.000 50 5 IGBARN Cc1c(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cccc1[N+](=O)[O-] ZINC000008791355 569476239 /nfs/dbraw/zinc/47/62/39/569476239.db2.gz ISHBSNDYNQAGFS-UHFFFAOYSA-N 0 0 436.500 3.194 50 5 IGBARN C[C@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008824694 569477246 /nfs/dbraw/zinc/47/72/46/569477246.db2.gz IXRMZAOAPCFAHT-AWEZNQCLSA-N 0 0 429.429 3.129 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc(OC)cc1 ZINC000040127951 569489748 /nfs/dbraw/zinc/48/97/48/569489748.db2.gz GYOFSULFXDMITG-UHFFFAOYSA-N 0 0 425.397 3.228 50 5 IGBARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000009090727 569501090 /nfs/dbraw/zinc/50/10/90/569501090.db2.gz JDIDMMMHDWOMRU-UHFFFAOYSA-N 0 0 438.506 3.317 50 5 IGBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1c1ccccc1 ZINC000245324893 569503292 /nfs/dbraw/zinc/50/32/92/569503292.db2.gz BUMYVVCJEIASFD-AUSIDOKSSA-N 0 0 436.468 3.192 50 5 IGBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009284877 569519115 /nfs/dbraw/zinc/51/91/15/569519115.db2.gz DVBXPMKJYAEZNW-SFHVURJKSA-N 0 0 439.497 3.230 50 5 IGBARN CC(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009328749 569522894 /nfs/dbraw/zinc/52/28/94/569522894.db2.gz MPIMLGVMWHOTQW-HXUWFJFHSA-N 0 0 446.525 3.313 50 5 IGBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nnc1C(F)(F)F ZINC000009365156 569526105 /nfs/dbraw/zinc/52/61/05/569526105.db2.gz WAFHXVZOCYLBOL-UHFFFAOYSA-N 0 0 440.201 3.235 50 5 IGBARN CS(=O)(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009373251 569526982 /nfs/dbraw/zinc/52/69/82/569526982.db2.gz IOZHBWZKDVTVMQ-UHFFFAOYSA-N 0 0 425.271 3.057 50 5 IGBARN COc1cc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000009381051 569528133 /nfs/dbraw/zinc/52/81/33/569528133.db2.gz RTGYWVSHLTXKHG-UHFFFAOYSA-N 0 0 431.470 3.366 50 5 IGBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000009493663 569540786 /nfs/dbraw/zinc/54/07/86/569540786.db2.gz YNAVDXGXQSWDHU-UHFFFAOYSA-N 0 0 428.518 3.216 50 5 IGBARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009539549 569545649 /nfs/dbraw/zinc/54/56/49/569545649.db2.gz ATRINMKTTAPAFY-UHFFFAOYSA-N 0 0 434.481 3.375 50 5 IGBARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1Cl ZINC000009581202 569549144 /nfs/dbraw/zinc/54/91/44/569549144.db2.gz GEEKLQMSPBFCDN-UHFFFAOYSA-N 0 0 427.244 3.467 50 5 IGBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000009638278 569555004 /nfs/dbraw/zinc/55/50/04/569555004.db2.gz GLFXKKLNNCTNSQ-UHFFFAOYSA-N 0 0 432.502 3.088 50 5 IGBARN CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000009691330 569561004 /nfs/dbraw/zinc/56/10/04/569561004.db2.gz CNMWHNZGYMWZSG-UHFFFAOYSA-N 0 0 432.864 3.145 50 5 IGBARN Cc1nc2c3ccccc3n3c(CCCC(=O)NC[C@H](C)c4ccccc4)nnc3n2n1 ZINC000009860226 569571843 /nfs/dbraw/zinc/57/18/43/569571843.db2.gz WGADYOFBSASFPU-INIZCTEOSA-N 0 0 427.512 3.476 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010187227 569578604 /nfs/dbraw/zinc/57/86/04/569578604.db2.gz VVQXERJXNNPBFY-GFCCVEGCSA-N 0 0 445.906 3.110 50 5 IGBARN O=C(c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)cc1)N1CCOCC1 ZINC000000838029 132231414 /nfs/dbraw/zinc/23/14/14/132231414.db2.gz KHAMNKBNEDIQLG-UHFFFAOYSA-N 0 0 431.404 3.021 50 5 IGBARN C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000004162533 132270855 /nfs/dbraw/zinc/27/08/55/132270855.db2.gz PHCKSQDWFOMUGX-SFHVURJKSA-N 0 0 444.557 3.485 50 5 IGBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@@H](C)O1 ZINC000005164575 132275078 /nfs/dbraw/zinc/27/50/78/132275078.db2.gz SLBGURDKOXNUOG-HZPDHXFCSA-N 0 0 426.521 3.040 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)c(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000008856775 132296404 /nfs/dbraw/zinc/29/64/04/132296404.db2.gz LHXXBVWUPUAQIK-UHFFFAOYSA-N 0 0 448.520 3.153 50 5 IGBARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000008991405 132299734 /nfs/dbraw/zinc/29/97/34/132299734.db2.gz XBBOWWASKBUCMH-UHFFFAOYSA-N 0 0 444.451 3.418 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000009509801 132319817 /nfs/dbraw/zinc/31/98/17/132319817.db2.gz ANSLPQIPJIVWJC-UHFFFAOYSA-N 0 0 448.520 3.235 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)C)c3)CC2)cc1 ZINC000009971681 132333368 /nfs/dbraw/zinc/33/33/68/132333368.db2.gz PJVYNMNFJSRLQD-UHFFFAOYSA-N 0 0 432.546 3.482 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012384269 518844867 /nfs/dbraw/zinc/84/48/67/518844867.db2.gz RRLRTYLZAZPELC-NWFVXXGESA-N 0 0 449.500 3.318 50 5 IGBARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021090813 519638210 /nfs/dbraw/zinc/63/82/10/519638210.db2.gz KHFYBFSWLMBSDX-KRWDZBQOSA-N 0 0 434.202 3.325 50 5 IGBARN CC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947206 519710159 /nfs/dbraw/zinc/71/01/59/519710159.db2.gz AZEVWWICQKLSPK-HXUWFJFHSA-N 0 0 441.463 3.461 50 5 IGBARN CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020462321 520541349 /nfs/dbraw/zinc/54/13/49/520541349.db2.gz QHXCGEIDNIIQJN-GOSISDBHSA-N 0 0 428.397 3.075 50 5 IGBARN CCN(c1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000012606851 521487980 /nfs/dbraw/zinc/48/79/80/521487980.db2.gz GCURCKHGPJULRK-UHFFFAOYSA-N 0 0 434.518 3.284 50 5 IGBARN COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])c(OC)c1OC ZINC000012759258 522120247 /nfs/dbraw/zinc/12/02/47/522120247.db2.gz CBSKMPLAGNQNKN-OAHLLOKOSA-N 0 0 437.880 3.307 50 5 IGBARN COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])cc1OC ZINC000012930045 522157612 /nfs/dbraw/zinc/15/76/12/522157612.db2.gz QWALRDDLKWTBEI-UHFFFAOYSA-N 0 0 444.469 3.311 50 5 IGBARN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O ZINC000012560822 522752548 /nfs/dbraw/zinc/75/25/48/522752548.db2.gz WQCDIOFSOAJNNF-UHFFFAOYSA-N 0 0 439.877 3.493 50 5 IGBARN COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000016045556 523358153 /nfs/dbraw/zinc/35/81/53/523358153.db2.gz LYCMKWFJGWKFSY-SNVBAGLBSA-N 0 0 434.865 3.352 50 5 IGBARN COc1ccc(Cl)cc1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000035377671 524246336 /nfs/dbraw/zinc/24/63/36/524246336.db2.gz FNWZHYYMHMSIAQ-UHFFFAOYSA-N 0 0 427.866 3.021 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012894041 526087231 /nfs/dbraw/zinc/08/72/31/526087231.db2.gz NPKLVAKNINRHNW-UHFFFAOYSA-N 0 0 442.497 3.065 50 5 IGBARN Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000012635180 526213352 /nfs/dbraw/zinc/21/33/52/526213352.db2.gz OEPMGDWPUXMEFG-UHFFFAOYSA-N 0 0 447.513 3.394 50 5 IGBARN O=C(OC[C@H]1CCC(=O)N1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000012554324 526421391 /nfs/dbraw/zinc/42/13/91/526421391.db2.gz SOPMWPRMHFPZLL-LJQANCHMSA-N 0 0 437.496 3.489 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1COc2ccccc2O1 ZINC000012565863 527339586 /nfs/dbraw/zinc/33/95/86/527339586.db2.gz KKEBTUCWFAQFFL-MRXNPFEDSA-N 0 0 447.513 3.411 50 5 IGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012887719 527373968 /nfs/dbraw/zinc/37/39/68/527373968.db2.gz RCSYVFJLWDDDJB-UHFFFAOYSA-N 0 0 429.498 3.123 50 5 IGBARN O=C(NC[C@@H]1CCCO1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032829818 556416453 /nfs/dbraw/zinc/41/64/53/556416453.db2.gz JCBQHFRCMZQXRH-ZDUSSCGKSA-N 0 0 446.382 3.033 50 5 IGBARN COc1c(O)ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000016349607 556602037 /nfs/dbraw/zinc/60/20/37/556602037.db2.gz RMROLULPGGBUNK-MRXNPFEDSA-N 0 0 428.470 3.049 50 5 IGBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000016520040 556613539 /nfs/dbraw/zinc/61/35/39/556613539.db2.gz GUJHQRGPLHWVKM-UHFFFAOYSA-N 0 0 444.538 3.225 50 5 IGBARN O=C(CNC(=O)c1ccc2ccccc2c1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000032936329 556678724 /nfs/dbraw/zinc/67/87/24/556678724.db2.gz MKWSVQFAZMSOCJ-UHFFFAOYSA-N 0 0 432.392 3.271 50 5 IGBARN COc1ccc(CN2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000024332240 556738983 /nfs/dbraw/zinc/73/89/83/556738983.db2.gz VLWZXNGERUACOG-UHFFFAOYSA-N 0 0 430.480 3.279 50 5 IGBARN C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000023064159 556992162 /nfs/dbraw/zinc/99/21/62/556992162.db2.gz BLKCFUAYHPLJPJ-CYBMUJFWSA-N 0 0 429.404 3.040 50 5 IGBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581040 557116236 /nfs/dbraw/zinc/11/62/36/557116236.db2.gz OZOOYIVANYTWRP-CVDCTZTESA-N 0 0 447.491 3.450 50 5 IGBARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000657229 557125605 /nfs/dbraw/zinc/12/56/05/557125605.db2.gz 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IGBARN CO[C@@H](C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014608550 557344515 /nfs/dbraw/zinc/34/45/15/557344515.db2.gz VCXILYATOBOWIQ-CYYQZKAESA-N 0 0 437.495 3.275 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102707717 557367117 /nfs/dbraw/zinc/36/71/17/557367117.db2.gz WBDAZJPYKCQBNH-PWRODBHTSA-N 0 0 431.404 3.352 50 5 IGBARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102744248 557377099 /nfs/dbraw/zinc/37/70/99/557377099.db2.gz LJIGAWFOJVZKQO-GOSISDBHSA-N 0 0 430.486 3.257 50 5 IGBARN O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000100313722 557399653 /nfs/dbraw/zinc/39/96/53/557399653.db2.gz NPXPKAZHLVPKBQ-QFIPXVFZSA-N 0 0 430.464 3.202 50 5 IGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000100391821 557401469 /nfs/dbraw/zinc/40/14/69/557401469.db2.gz YYGNSRHUKORFEV-UHFFFAOYSA-N 0 0 432.889 3.307 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000100517241 557415017 /nfs/dbraw/zinc/41/50/17/557415017.db2.gz RBAJQFFGGLMUIU-UHFFFAOYSA-N 0 0 428.317 3.039 50 5 IGBARN Cc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc([N+](=O)[O-])cc1 ZINC000096278547 557450346 /nfs/dbraw/zinc/45/03/46/557450346.db2.gz COTIBJKURANHKL-UHFFFAOYSA-N 0 0 438.532 3.401 50 5 IGBARN COc1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000008687491 562962986 /nfs/dbraw/zinc/96/29/86/562962986.db2.gz FPZDJMOTHRIVFY-LBPRGKRZSA-N 0 0 443.740 3.358 50 5 aggregator IGBARN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000000990372 568648255 /nfs/dbraw/zinc/64/82/55/568648255.db2.gz IFHFJKXKFBHQNN-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001056045 568654557 /nfs/dbraw/zinc/65/45/57/568654557.db2.gz DQSLOWLYKKESOJ-UHFFFAOYSA-N 0 0 444.296 3.048 50 5 IGBARN C[C@@H](C(=O)N1CCC(C)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025389878 568656211 /nfs/dbraw/zinc/65/62/11/568656211.db2.gz BFXRTVRYUJVPFE-HNNXBMFYSA-N 0 0 428.455 3.383 50 5 IGBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001087567 568656918 /nfs/dbraw/zinc/65/69/18/568656918.db2.gz HTHPMOWMRHIOPB-HXUWFJFHSA-N 0 0 433.424 3.248 50 5 IGBARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001124905 568660176 /nfs/dbraw/zinc/66/01/76/568660176.db2.gz AIOVDPLEMIOGQE-UHFFFAOYSA-N 0 0 425.466 3.368 50 5 IGBARN CC[C@@]1(C(=O)c2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC ZINC000001158319 568662530 /nfs/dbraw/zinc/66/25/30/568662530.db2.gz YLLSVCGTADBTTM-UWJYYQICSA-N 0 0 429.400 3.443 50 5 IGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000001163372 568664395 /nfs/dbraw/zinc/66/43/95/568664395.db2.gz LIVYOMBEOOPSOS-CALCHBBNSA-N 0 0 434.404 3.090 50 5 IGBARN CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000015207740 568732163 /nfs/dbraw/zinc/73/21/63/568732163.db2.gz WSSHFCUMGVCILW-UHFFFAOYSA-N 0 0 429.857 3.116 50 5 IGBARN COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000001195499 568736347 /nfs/dbraw/zinc/73/63/47/568736347.db2.gz FTWYZBSCCHBQNX-NFJKTXFASA-N 0 0 426.428 3.480 50 5 IGBARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000001187919 568736436 /nfs/dbraw/zinc/73/64/36/568736436.db2.gz ONQSCDNLKPRECB-QQNJPBSNSA-N 0 0 440.455 3.446 50 5 IGBARN Cc1c(N(C)C2=NN=C(c3ccc([N+](=O)[O-])cc3)CS2)c(=O)n(-c2ccccc2)n1C ZINC000001206005 568736880 /nfs/dbraw/zinc/73/68/80/568736880.db2.gz ZQHCLBGNYKKJRV-UHFFFAOYSA-N 0 0 436.497 3.336 50 5 IGBARN CS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000004144985 568781939 /nfs/dbraw/zinc/78/19/39/568781939.db2.gz PDFWNFWHNPWXOM-UHFFFAOYSA-N 0 0 430.438 3.369 50 5 IGBARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019171566 568782349 /nfs/dbraw/zinc/78/23/49/568782349.db2.gz QKJYOWDIFZIZCD-OTWHNJEPSA-N 0 0 426.860 3.092 50 5 IGBARN CC(C)c1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000032504644 568811436 /nfs/dbraw/zinc/81/14/36/568811436.db2.gz XVWYOVZBAQXOER-UHFFFAOYSA-N 0 0 438.528 3.183 50 5 IGBARN O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)F ZINC000001475616 568821282 /nfs/dbraw/zinc/82/12/82/568821282.db2.gz ROFBKCZOHRAMEJ-UHFFFAOYSA-N 0 0 427.300 3.086 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000016043775 568868007 /nfs/dbraw/zinc/86/80/07/568868007.db2.gz AQAHUBISWOYZFD-UHFFFAOYSA-N 0 0 435.477 3.390 50 5 IGBARN COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000016225604 568873483 /nfs/dbraw/zinc/87/34/83/568873483.db2.gz ZYASTQWAEZJPLU-LICLKQGHSA-N 0 0 428.422 3.383 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1I ZINC000016400944 568887726 /nfs/dbraw/zinc/88/77/26/568887726.db2.gz KNWOCHMXTDFGOA-UHFFFAOYSA-N 0 0 434.211 3.009 50 5 IGBARN CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016694629 568938159 /nfs/dbraw/zinc/93/81/59/568938159.db2.gz OYIFBTIPPLWZFC-UHFFFAOYSA-N 0 0 439.493 3.121 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1 ZINC000010220644 569152924 /nfs/dbraw/zinc/15/29/24/569152924.db2.gz UDJMVGRNYLUFJP-UHFFFAOYSA-N 0 0 433.486 3.419 50 5 IGBARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c([N+](=O)[O-])c1 ZINC000010220701 569153031 /nfs/dbraw/zinc/15/30/31/569153031.db2.gz GDTNODSKGDGQDM-UHFFFAOYSA-N 0 0 445.453 3.269 50 5 IGBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000002070587 569161211 /nfs/dbraw/zinc/16/12/11/569161211.db2.gz BZSOIHGVVBDAEL-UHFFFAOYSA-N 0 0 431.792 3.207 50 5 IGBARN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000089774624 569162658 /nfs/dbraw/zinc/16/26/58/569162658.db2.gz CBNMXCAVXCOHLH-NRFANRHFSA-N 0 0 426.860 3.254 50 5 IGBARN COc1ccc(-n2c3nc4ccccc4nc3c3c2ncn(C[C@@H]2CCCO2)c3=O)cc1 ZINC000002258106 569215498 /nfs/dbraw/zinc/21/54/98/569215498.db2.gz POKCOEHBFIRZHG-KRWDZBQOSA-N 0 0 427.464 3.471 50 5 IGBARN O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009554229 569297319 /nfs/dbraw/zinc/29/73/19/569297319.db2.gz IPFQFCPJNNXZTJ-UHFFFAOYSA-N 0 0 437.237 3.162 50 5 IGBARN O=C(CN1C(=O)S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1F ZINC000009720623 569297796 /nfs/dbraw/zinc/29/77/96/569297796.db2.gz SUTWCVAGCYNDMY-OMCISZLKSA-N 0 0 445.384 3.138 50 5 IGBARN CN(CC(=O)Nc1ccccc1Br)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012982872 569305635 /nfs/dbraw/zinc/30/56/35/569305635.db2.gz DWZAPOHHQOFHOU-UHFFFAOYSA-N 0 0 436.262 3.294 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000013145319 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/nfs/dbraw/zinc/33/50/87/569335087.db2.gz RWRISJUUVDTCJV-LJQANCHMSA-N 0 0 444.469 3.183 50 5 IGBARN CCOc1ccc(CCNc2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])cc1OCC ZINC000020209028 569356107 /nfs/dbraw/zinc/35/61/07/569356107.db2.gz LMVBIFRRVQRQGK-UHFFFAOYSA-N 0 0 427.461 3.174 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000095441118 569366721 /nfs/dbraw/zinc/36/67/21/569366721.db2.gz ORYKPICNNXAJIF-QFBILLFUSA-N 0 0 437.493 3.077 50 5 IGBARN Cc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000002729553 569418088 /nfs/dbraw/zinc/41/80/88/569418088.db2.gz GFGBCRQPHVUXMW-GFCCVEGCSA-N 0 0 433.534 3.358 50 5 IGBARN CC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cnn1C ZINC000002729726 569418193 /nfs/dbraw/zinc/41/81/93/569418193.db2.gz GEIXHBANCPOSSS-UHFFFAOYSA-N 0 0 441.444 3.138 50 5 IGBARN Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccccc2Br)o1 ZINC000002796636 569421706 /nfs/dbraw/zinc/42/17/06/569421706.db2.gz XPBQUAXYSMMTAE-UHFFFAOYSA-N 0 0 449.261 3.464 50 5 IGBARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCc1ccccc1 ZINC000002905124 569424517 /nfs/dbraw/zinc/42/45/17/569424517.db2.gz QQYLQXXHEBKCBB-UHFFFAOYSA-N 0 0 439.493 3.149 50 5 IGBARN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000002994760 569434890 /nfs/dbraw/zinc/43/48/90/569434890.db2.gz HVLDWVHBSZXPAU-UHFFFAOYSA-N 0 0 448.464 3.464 50 5 IGBARN Cc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057688737 569440879 /nfs/dbraw/zinc/44/08/79/569440879.db2.gz AQRDGBGSMCWFSU-UHFFFAOYSA-N 0 0 433.512 3.232 50 5 IGBARN Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000003288195 569444187 /nfs/dbraw/zinc/44/41/87/569444187.db2.gz NZBXTJMDTPQAOB-UHFFFAOYSA-N 0 0 446.222 3.365 50 5 IGBARN O=C(CCS(=O)(=O)c1ccccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003303450 569445127 /nfs/dbraw/zinc/44/51/27/569445127.db2.gz IPYKVNISDWRKQY-UHFFFAOYSA-N 0 0 441.845 3.022 50 5 IGBARN COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000003385166 569448992 /nfs/dbraw/zinc/44/89/92/569448992.db2.gz YJEYBFZOWPIQPA-JTQLQIEISA-N 0 0 438.820 3.458 50 5 IGBARN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2)CC1 ZINC000058329814 569453109 /nfs/dbraw/zinc/45/31/09/569453109.db2.gz CFIOARFLJGOCPT-UHFFFAOYSA-N 0 0 427.461 3.299 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031813342 569457842 /nfs/dbraw/zinc/45/78/42/569457842.db2.gz DODQELDFWSQTEP-OAHLLOKOSA-N 0 0 426.820 3.337 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000008449435 569464528 /nfs/dbraw/zinc/46/45/28/569464528.db2.gz GYUVJWXUBXFNJA-YQMDMEMYSA-N 0 0 448.431 3.170 50 5 IGBARN COC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000008745100 569472856 /nfs/dbraw/zinc/47/28/56/569472856.db2.gz SMXDDTVKQDFXGM-UHFFFAOYSA-N 0 0 447.469 3.090 50 5 IGBARN CCOC(=O)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000008824378 569477189 /nfs/dbraw/zinc/47/71/89/569477189.db2.gz ITKCFFJIMDBNFB-UHFFFAOYSA-N 0 0 427.442 3.304 50 5 IGBARN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040090756 569487455 /nfs/dbraw/zinc/48/74/55/569487455.db2.gz XVCYNJXMPJNDGX-FQEVSTJZSA-N 0 0 440.891 3.396 50 5 IGBARN COc1ccc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c(OC)c1 ZINC000245225130 569499524 /nfs/dbraw/zinc/49/95/24/569499524.db2.gz NKQSYAQTRNSYMG-UIFIKXQLSA-N 0 0 428.441 3.122 50 5 IGBARN Cc1ccc(C(=O)N[C@H](C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1 ZINC000009120364 569503873 /nfs/dbraw/zinc/50/38/73/569503873.db2.gz BLLZMLWHAYCUDV-IBGZPJMESA-N 0 0 438.440 3.451 50 5 IGBARN COc1cc(Cl)c(C)cc1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000009124839 569504412 /nfs/dbraw/zinc/50/44/12/569504412.db2.gz CENOLASMWFDEIJ-UHFFFAOYSA-N 0 0 441.893 3.330 50 5 IGBARN COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000009356129 569525413 /nfs/dbraw/zinc/52/54/13/569525413.db2.gz XIZXXSMPJMTFCN-LBPRGKRZSA-N 0 0 441.893 3.358 50 5 IGBARN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000009356128 569525423 /nfs/dbraw/zinc/52/54/23/569525423.db2.gz XIZXXSMPJMTFCN-GFCCVEGCSA-N 0 0 441.893 3.358 50 5 IGBARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)c([N+](=O)[O-])c1 ZINC000009373544 569527033 /nfs/dbraw/zinc/52/70/33/569527033.db2.gz RWTPESGQVLHAPS-UHFFFAOYSA-N 0 0 428.474 3.005 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)ccc1Cl ZINC000009493930 569540804 /nfs/dbraw/zinc/54/08/04/569540804.db2.gz HDQQSGXDRSOCSM-UHFFFAOYSA-N 0 0 428.228 3.101 50 5 IGBARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000009544988 569546062 /nfs/dbraw/zinc/54/60/62/569546062.db2.gz KLKDEMLITOMABI-CQSZACIVSA-N 0 0 445.859 3.345 50 5 IGBARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000009545899 569546194 /nfs/dbraw/zinc/54/61/94/569546194.db2.gz BZGAGNALRXOVEP-UHFFFAOYSA-N 0 0 447.875 3.457 50 5 IGBARN CC(C)(C)c1ccc(-n2c3nc(-c4ccc([N+](=O)[O-])cc4)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000009738921 569564973 /nfs/dbraw/zinc/56/49/73/569564973.db2.gz MZUUVNSZQUWGHX-UHFFFAOYSA-N 0 0 432.440 3.080 50 5 IGBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000009963491 569575803 /nfs/dbraw/zinc/57/58/03/569575803.db2.gz JEGZOACMBNJIGS-ZDUSSCGKSA-N 0 0 425.894 3.442 50 5 IGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186914 569578468 /nfs/dbraw/zinc/57/84/68/569578468.db2.gz XQOOJONGVBLCLR-UHFFFAOYSA-N 0 0 429.907 3.349 50 5 IGBARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009782874 132244258 /nfs/dbraw/zinc/24/42/58/132244258.db2.gz IETYNDYHWAOSJI-UHFFFAOYSA-N 0 0 425.470 3.126 50 5 IGBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1 ZINC000002732736 132256773 /nfs/dbraw/zinc/25/67/73/132256773.db2.gz HTXKCKOGMIYRSF-UHFFFAOYSA-N 0 0 448.483 3.026 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1 ZINC000008781219 132294488 /nfs/dbraw/zinc/29/44/88/132294488.db2.gz DVURWEUNPUBOEX-UHFFFAOYSA-N 0 0 430.530 3.014 50 5 IGBARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009185793 132307676 /nfs/dbraw/zinc/30/76/76/132307676.db2.gz BMSAJRXRCCCNIK-UHFFFAOYSA-N 0 0 433.848 3.189 50 5 IGBARN O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2sc3c(c21)CCCC3 ZINC000009562911 132321717 /nfs/dbraw/zinc/32/17/17/132321717.db2.gz QWUALAHAGKDXIO-UHFFFAOYSA-N 0 0 425.514 3.094 50 5 IGBARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000009717193 132327363 /nfs/dbraw/zinc/32/73/63/132327363.db2.gz TWJLAFQAYHIHHX-UHFFFAOYSA-N 0 0 432.502 3.088 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1NC1CC1 ZINC000009971907 132333457 /nfs/dbraw/zinc/33/34/57/132333457.db2.gz DXQLCOSNLPARPK-UHFFFAOYSA-N 0 0 442.950 3.395 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000011227544 132337630 /nfs/dbraw/zinc/33/76/30/132337630.db2.gz QUTZSJGOGWJPQV-UHFFFAOYSA-N 0 0 449.393 3.215 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000012590576 519593182 /nfs/dbraw/zinc/59/31/82/519593182.db2.gz GLSZFJVSPZEMPU-AWEZNQCLSA-N 0 0 430.892 3.408 50 5 IGBARN CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020462324 520540983 /nfs/dbraw/zinc/54/09/83/520540983.db2.gz QHXCGEIDNIIQJN-SFHVURJKSA-N 0 0 428.397 3.075 50 5 IGBARN CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002984448 520692203 /nfs/dbraw/zinc/69/22/03/520692203.db2.gz DGJFWBFJAYBURO-UHFFFAOYSA-N 0 0 430.232 3.336 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(Cc1cccc([N+](=O)[O-])c1)C(=O)CS2 ZINC000021050278 520812949 /nfs/dbraw/zinc/81/29/49/520812949.db2.gz RJSAJFYJHXEFGX-UHFFFAOYSA-N 0 0 435.527 3.264 50 5 IGBARN CCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035766972 521533512 /nfs/dbraw/zinc/53/35/12/521533512.db2.gz LDUKKUZAKBJDPL-FQEVSTJZSA-N 0 0 429.473 3.248 50 5 IGBARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947204 521739143 /nfs/dbraw/zinc/73/91/43/521739143.db2.gz CIDJQHRTALLZEW-LJQANCHMSA-N 0 0 427.436 3.073 50 5 IGBARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000021421529 522282751 /nfs/dbraw/zinc/28/27/51/522282751.db2.gz DDRGYFANXWXISH-CYBMUJFWSA-N 0 0 432.429 3.031 50 5 IGBARN CC[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000012606011 522770473 /nfs/dbraw/zinc/77/04/73/522770473.db2.gz WXKATYFDXDWDQK-IBGZPJMESA-N 0 0 432.546 3.403 50 5 IGBARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000012570331 522858399 /nfs/dbraw/zinc/85/83/99/522858399.db2.gz KYZUBWRROZKZNP-UHFFFAOYSA-N 0 0 439.218 3.170 50 5 IGBARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000012731703 523242067 /nfs/dbraw/zinc/24/20/67/523242067.db2.gz VLZKCKGIQFYCNP-NTMALXAHSA-N 0 0 434.452 3.328 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000012379435 523751893 /nfs/dbraw/zinc/75/18/93/523751893.db2.gz AAWFAGRYAABNQO-UHFFFAOYSA-N 0 0 432.864 3.178 50 5 IGBARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000008396417 523879319 /nfs/dbraw/zinc/87/93/19/523879319.db2.gz ZWMOVRANIWRBCE-ZRRZQRFHSA-N 0 0 429.410 3.380 50 5 IGBARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000012643455 524190887 /nfs/dbraw/zinc/19/08/87/524190887.db2.gz RWENYEUJWDMLPN-UHFFFAOYSA-N 0 0 426.498 3.271 50 5 IGBARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F ZINC000012486251 524495733 /nfs/dbraw/zinc/49/57/33/524495733.db2.gz NRHCYHXOSOXLQO-UHFFFAOYSA-N 0 0 449.504 3.068 50 5 IGBARN Cc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000012645166 525046118 /nfs/dbraw/zinc/04/61/18/525046118.db2.gz JMGVLBYGLAXWHS-UHFFFAOYSA-N 0 0 439.468 3.246 50 5 IGBARN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021129677 525887789 /nfs/dbraw/zinc/88/77/89/525887789.db2.gz FQOQHJRKENRZNZ-NWDGAFQWSA-N 0 0 449.822 3.311 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012854989 526086961 /nfs/dbraw/zinc/08/69/61/526086961.db2.gz ALMUVJOVJDZFSJ-UHFFFAOYSA-N 0 0 444.435 3.218 50 5 IGBARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CO2 ZINC000020379992 526133919 /nfs/dbraw/zinc/13/39/19/526133919.db2.gz VJTJTAHDQAZKAN-UHFFFAOYSA-N 0 0 433.468 3.008 50 5 IGBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)cs1 ZINC000012874649 526569151 /nfs/dbraw/zinc/56/91/51/526569151.db2.gz JEJXODCYCPIYRM-UHFFFAOYSA-N 0 0 445.522 3.403 50 5 IGBARN O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000012806641 526683515 /nfs/dbraw/zinc/68/35/15/526683515.db2.gz MEFYGGDIMCGQHD-UHFFFAOYSA-N 0 0 443.257 3.047 50 5 IGBARN O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC[C@H]1CCCO1 ZINC000035044635 526913656 /nfs/dbraw/zinc/91/36/56/526913656.db2.gz HVQMNVCILYYXEY-MRXNPFEDSA-N 0 0 434.832 3.493 50 5 IGBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012901159 527197850 /nfs/dbraw/zinc/19/78/50/527197850.db2.gz YHPZSTUPOVCDNJ-UHFFFAOYSA-N 0 0 447.488 3.262 50 5 IGBARN CCc1ccccc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)CC1 ZINC000002884359 535942429 /nfs/dbraw/zinc/94/24/29/535942429.db2.gz KIQYLWXLBOYAKM-UHFFFAOYSA-N 0 0 437.452 3.235 50 5 IGBARN COc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)c([N+](=O)[O-])cc1OC ZINC000010221001 536533117 /nfs/dbraw/zinc/53/31/17/536533117.db2.gz DHWPOEHMFOSJPC-UHFFFAOYSA-N 0 0 429.429 3.390 50 5 IGBARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000008952384 556236126 /nfs/dbraw/zinc/23/61/26/556236126.db2.gz RIAKVBFDHGQCRH-SXGWCWSVSA-N 0 0 432.410 3.463 50 5 IGBARN O=[N+]([O-])c1ccc(NC(=S)N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000013959956 556346944 /nfs/dbraw/zinc/34/69/44/556346944.db2.gz VDPAFJBDMPTXLB-UHFFFAOYSA-N 0 0 446.514 3.214 50 5 IGBARN NC(=O)c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c([N+](=O)[O-])c1 ZINC000032841292 556427148 /nfs/dbraw/zinc/42/71/48/556427148.db2.gz AZCZHYCYWBFWAA-GFCCVEGCSA-N 0 0 434.378 3.139 50 5 IGBARN CNc1ccc(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1[N+](=O)[O-] ZINC000032858162 556434453 /nfs/dbraw/zinc/43/44/53/556434453.db2.gz IFBSWLDJLFVHPX-UHFFFAOYSA-N 0 0 434.408 3.345 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000022957031 556523258 /nfs/dbraw/zinc/52/32/58/556523258.db2.gz RLDUHMVBHQYXPO-UHFFFAOYSA-N 0 0 446.510 3.157 50 5 IGBARN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000072310210 556579352 /nfs/dbraw/zinc/57/93/52/556579352.db2.gz PPXHTLFNVFVMCL-QWHCGFSZSA-N 0 0 437.440 3.114 50 5 IGBARN N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 ZINC000100642217 556638776 /nfs/dbraw/zinc/63/87/76/556638776.db2.gz PLQLQBJBBNOCFD-UHFFFAOYSA-N 0 0 441.535 3.434 50 5 IGBARN O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1ccccc1[N+](=O)[O-] ZINC000024127038 556641081 /nfs/dbraw/zinc/64/10/81/556641081.db2.gz AZXNXJMRPHTRIB-UHFFFAOYSA-N 0 0 432.230 3.201 50 5 IGBARN Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C3CCCCC3)c(=O)n2c1 ZINC000100810858 556676166 /nfs/dbraw/zinc/67/61/66/556676166.db2.gz YJSIVMJQIXYFLO-UHFFFAOYSA-N 0 0 442.523 3.267 50 5 IGBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000013750710 556724602 /nfs/dbraw/zinc/72/46/02/556724602.db2.gz OYXBIPVIGMLNOH-QDUHJBTASA-N 0 0 440.484 3.274 50 5 IGBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1I ZINC000013896587 556749038 /nfs/dbraw/zinc/74/90/38/556749038.db2.gz GCYCNQUEMKHLIK-UHFFFAOYSA-N 0 0 448.238 3.317 50 5 IGBARN COc1ccc(Cc2nnc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])s2)cc1 ZINC000013941858 556974273 /nfs/dbraw/zinc/97/42/73/556974273.db2.gz GINVZBRCAZJSPP-UHFFFAOYSA-N 0 0 430.442 3.315 50 5 IGBARN CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000023080161 556995916 /nfs/dbraw/zinc/99/59/16/556995916.db2.gz VDUZSUUVZXLUSK-UHFFFAOYSA-N 0 0 427.457 3.098 50 5 IGBARN CCOC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n([C@H](C)COC)c2C)cc([N+](=O)[O-])c1 ZINC000010855736 557040323 /nfs/dbraw/zinc/04/03/23/557040323.db2.gz RCWITPYGXLHPLE-CQSZACIVSA-N 0 0 446.456 3.437 50 5 IGBARN COc1ccc(-c2csc(CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])n2)cc1 ZINC000048324472 557065374 /nfs/dbraw/zinc/06/53/74/557065374.db2.gz XVQBWOYZTQVGIJ-UHFFFAOYSA-N 0 0 434.499 3.029 50 5 IGBARN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017727623 557112639 /nfs/dbraw/zinc/11/26/39/557112639.db2.gz XNZVMLWRHKTYTQ-OCCSQVGLSA-N 0 0 440.387 3.441 50 5 IGBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1I ZINC000000672210 557132814 /nfs/dbraw/zinc/13/28/14/557132814.db2.gz MBFXOLRXGLPQHS-UHFFFAOYSA-N 0 0 428.182 3.469 50 5 IGBARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCCCC1 ZINC000000718851 557148912 /nfs/dbraw/zinc/14/89/12/557148912.db2.gz WDWWOTRYGSSCMR-UHFFFAOYSA-N 0 0 440.500 3.173 50 5 IGBARN COc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000754934 557168845 /nfs/dbraw/zinc/16/88/45/557168845.db2.gz OWQDEKSSQKMBMO-OAQYLSRUSA-N 0 0 445.431 3.449 50 5 IGBARN COc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754959 557168854 /nfs/dbraw/zinc/16/88/54/557168854.db2.gz DOFRLZITIMDQOT-HXUWFJFHSA-N 0 0 445.431 3.449 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1CCc1ccccc1)c2=O ZINC000100627223 557266431 /nfs/dbraw/zinc/26/64/31/557266431.db2.gz NGBJLEBDOLJKNS-UHFFFAOYSA-N 0 0 441.535 3.352 50 5 IGBARN O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023382218 557352163 /nfs/dbraw/zinc/35/21/63/557352163.db2.gz PTPWDUHSXCPFEJ-IFXJQAMLSA-N 0 0 435.440 3.040 50 5 IGBARN COc1cccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000014827069 557458912 /nfs/dbraw/zinc/45/89/12/557458912.db2.gz SKUWQSRWELBILK-UHFFFAOYSA-N 0 0 433.467 3.074 50 5 IGBARN Cn1cc([C@@H](CC(=O)NCCN2CCOCC2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000106798185 557532717 /nfs/dbraw/zinc/53/27/17/557532717.db2.gz FCOIEZYTLCVFKB-NRFANRHFSA-N 0 0 436.512 3.057 50 5 IGBARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000008601906 562955715 /nfs/dbraw/zinc/95/57/15/562955715.db2.gz UKTFXPQEMQEVMW-NRFANRHFSA-N 0 0 443.481 3.207 50 5 IGBARN Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000008671297 562960850 /nfs/dbraw/zinc/96/08/50/562960850.db2.gz SHPZIEQHGYLJJQ-UHFFFAOYSA-N 0 0 442.785 3.276 50 5 IGBARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000013006422 562983944 /nfs/dbraw/zinc/98/39/44/562983944.db2.gz XJIXEVZXKCPJIO-UHFFFAOYSA-N 0 0 449.254 3.193 50 5 IGBARN Cc1c([N+](=O)[O-])cc(C(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000013151971 562985486 /nfs/dbraw/zinc/98/54/86/562985486.db2.gz CGOPXBZJVUGHRM-UHFFFAOYSA-N 0 0 431.426 3.038 50 5 IGBARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000971275 568647268 /nfs/dbraw/zinc/64/72/68/568647268.db2.gz HCDDZWVHQRODCH-UJKMTWAASA-N 0 0 439.427 3.132 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001051115 568654569 /nfs/dbraw/zinc/65/45/69/568654569.db2.gz YIQUPVNRKHGNII-NSHDSACASA-N 0 0 427.866 3.050 50 5 IGBARN COc1ccc(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC ZINC000015209414 568732166 /nfs/dbraw/zinc/73/21/66/568732166.db2.gz KJRIKRTYYUDDSG-UHFFFAOYSA-N 0 0 435.502 3.051 50 5 IGBARN CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000015229013 568735065 /nfs/dbraw/zinc/73/50/65/568735065.db2.gz JQFXSGANEYTYBN-UHFFFAOYSA-N 0 0 425.441 3.262 50 5 IGBARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2([N+](=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000001194251 568736414 /nfs/dbraw/zinc/73/64/14/568736414.db2.gz GAAXVYQNQCFKBA-YCIYHOANSA-N 0 0 426.428 3.480 50 5 IGBARN O=[N+]([O-])c1ccc(N(S(=O)(=O)Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000025694006 568775364 /nfs/dbraw/zinc/77/53/64/568775364.db2.gz NSMBHIPIQPYSRN-UHFFFAOYSA-N 0 0 446.506 3.461 50 5 IGBARN C[C@@H](OC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025703356 568775518 /nfs/dbraw/zinc/77/55/18/568775518.db2.gz IPGMRNFDBNHGFM-CQSZACIVSA-N 0 0 447.875 3.264 50 5 IGBARN C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000025789285 568780454 /nfs/dbraw/zinc/78/04/54/568780454.db2.gz YZSBSFXLZZOLQS-SNVBAGLBSA-N 0 0 425.413 3.265 50 5 IGBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016194306 568872404 /nfs/dbraw/zinc/87/24/04/568872404.db2.gz PLRAXOKZRFDXDV-UHFFFAOYSA-N 0 0 428.470 3.108 50 5 IGBARN Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1Cl ZINC000016319429 568876876 /nfs/dbraw/zinc/87/68/76/568876876.db2.gz QLXRFYSVWLASRW-UHFFFAOYSA-N 0 0 430.848 3.370 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016347418 568877176 /nfs/dbraw/zinc/87/71/76/568877176.db2.gz CMCRTYVPSXAMKW-UHFFFAOYSA-N 0 0 433.486 3.095 50 5 IGBARN O=C(c1ccccc1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000016393767 568887351 /nfs/dbraw/zinc/88/73/51/568887351.db2.gz FHQBYYBGNFHTQR-KRWDZBQOSA-N 0 0 428.464 3.287 50 5 IGBARN Cc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000016646201 568927731 /nfs/dbraw/zinc/92/77/31/568927731.db2.gz SAMHTHZQDMTYJD-UHFFFAOYSA-N 0 0 444.897 3.220 50 5 IGBARN CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000169692297 569076483 /nfs/dbraw/zinc/07/64/83/569076483.db2.gz KJUOOIWMFCZXRI-NWFVXXGESA-N 0 0 449.500 3.318 50 5 IGBARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010059162 569152072 /nfs/dbraw/zinc/15/20/72/569152072.db2.gz ZQYXXXVFUAVASK-XMMPIXPASA-N 0 0 446.415 3.331 50 5 IGBARN Cc1ccsc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016742569 569160610 /nfs/dbraw/zinc/16/06/10/569160610.db2.gz BHYGRPGBHVPMLJ-CYBMUJFWSA-N 0 0 428.919 3.448 50 5 IGBARN CCOc1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])c(-c3nccs3)n2)cc1OCC ZINC000253415544 569266266 /nfs/dbraw/zinc/26/62/66/569266266.db2.gz FOWHVXYYJXRKQM-UHFFFAOYSA-N 0 0 445.501 3.071 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000017975824 569282915 /nfs/dbraw/zinc/28/29/15/569282915.db2.gz KHHPTXFRMFAHBB-RTBURBONSA-N 0 0 434.404 3.090 50 5 IGBARN Cn1c(CCC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009327597 569295582 /nfs/dbraw/zinc/29/55/82/569295582.db2.gz GEZWDXQPWVLJCF-UHFFFAOYSA-N 0 0 443.460 3.409 50 5 IGBARN COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000013401573 569315326 /nfs/dbraw/zinc/31/53/26/569315326.db2.gz MUSQTQMJEGHOLC-UHFFFAOYSA-N 0 0 435.502 3.022 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000020100651 569333912 /nfs/dbraw/zinc/33/39/12/569333912.db2.gz DWSKTUSFUHCDPI-UHFFFAOYSA-N 0 0 447.391 3.027 50 5 IGBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1F)N1CCOCC1 ZINC000095402679 569364055 /nfs/dbraw/zinc/36/40/55/569364055.db2.gz ZGAYCRXIDYOONE-KRWDZBQOSA-N 0 0 425.363 3.347 50 5 IGBARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002760014 569420204 /nfs/dbraw/zinc/42/02/04/569420204.db2.gz GGNOTFYLKSTUDH-UHFFFAOYSA-N 0 0 437.386 3.089 50 5 IGBARN COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000002796957 569421695 /nfs/dbraw/zinc/42/16/95/569421695.db2.gz QNAZRVWPOFOWIV-UHFFFAOYSA-N 0 0 426.400 3.447 50 5 IGBARN O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cc2)c1 ZINC000002800554 569422352 /nfs/dbraw/zinc/42/23/52/569422352.db2.gz CUNRSHLPZABOQC-UHFFFAOYSA-N 0 0 437.423 3.283 50 5 IGBARN CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000002842081 569423276 /nfs/dbraw/zinc/42/32/76/569423276.db2.gz NFYDNYRLAHACDT-UHFFFAOYSA-N 0 0 440.485 3.470 50 5 IGBARN COc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC ZINC000002866234 569423604 /nfs/dbraw/zinc/42/36/04/569423604.db2.gz VXTVWZLDPPBRTG-UHFFFAOYSA-N 0 0 446.441 3.401 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002942677 569426624 /nfs/dbraw/zinc/42/66/24/569426624.db2.gz BCGBNXOYBCLBJQ-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN CN(Cc1ccccc1F)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057488499 569436254 /nfs/dbraw/zinc/43/62/54/569436254.db2.gz PPBIXGSUSKWWOC-UHFFFAOYSA-N 0 0 437.475 3.063 50 5 IGBARN O=C(N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003053438 569439346 /nfs/dbraw/zinc/43/93/46/569439346.db2.gz QROSLIPKLORQKS-CQSZACIVSA-N 0 0 437.688 3.495 50 5 IGBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000057986752 569443960 /nfs/dbraw/zinc/44/39/60/569443960.db2.gz MLYFBUMOMIOKRW-HXUWFJFHSA-N 0 0 425.416 3.378 50 5 IGBARN COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000003385169 569448945 /nfs/dbraw/zinc/44/89/45/569448945.db2.gz YJEYBFZOWPIQPA-SNVBAGLBSA-N 0 0 438.820 3.458 50 5 IGBARN CC(C)COC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000058178769 569449621 /nfs/dbraw/zinc/44/96/21/569449621.db2.gz SJRWVFNUNZSYOL-INIZCTEOSA-N 0 0 431.445 3.406 50 5 IGBARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000003401071 569449789 /nfs/dbraw/zinc/44/97/89/569449789.db2.gz SUQFBVCLGCISSB-CYBMUJFWSA-N 0 0 434.445 3.277 50 5 IGBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000008826470 569477573 /nfs/dbraw/zinc/47/75/73/569477573.db2.gz MGADBRZWPXDDHB-JTQLQIEISA-N 0 0 442.255 3.490 50 5 IGBARN O=C1N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828340 569477824 /nfs/dbraw/zinc/47/78/24/569477824.db2.gz LZKKIFRJBZMUPV-HOTGVXAUSA-N 0 0 441.387 3.226 50 5 IGBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000008854823 569479662 /nfs/dbraw/zinc/47/96/62/569479662.db2.gz OYXBIPVIGMLNOH-MNJKBJKMSA-N 0 0 440.484 3.274 50 5 IGBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040134231 569490478 /nfs/dbraw/zinc/49/04/78/569490478.db2.gz OGSCGABYOYZYGU-SNVBAGLBSA-N 0 0 427.795 3.495 50 5 IGBARN C[C@@H](CN1CCCC1=O)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000040157738 569494363 /nfs/dbraw/zinc/49/43/63/569494363.db2.gz RICQCDHPOFPVET-ZDUSSCGKSA-N 0 0 444.875 3.241 50 5 IGBARN COc1ccc(NC(=O)CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000009127572 569505214 /nfs/dbraw/zinc/50/52/14/569505214.db2.gz HCYYGMGZVCZMCE-JOCHJYFZSA-N 0 0 440.456 3.035 50 5 IGBARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000009355760 569525263 /nfs/dbraw/zinc/52/52/63/569525263.db2.gz KFRUCTWCVMITGB-UHFFFAOYSA-N 0 0 433.486 3.033 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000009364660 569526055 /nfs/dbraw/zinc/52/60/55/569526055.db2.gz JCKZRPKPAGGLQC-UHFFFAOYSA-N 0 0 445.482 3.438 50 5 IGBARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000009442882 569535664 /nfs/dbraw/zinc/53/56/64/569535664.db2.gz KOCZGNDQRIDVFG-UHFFFAOYSA-N 0 0 447.875 3.457 50 5 IGBARN 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COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012751931 525454572 /nfs/dbraw/zinc/45/45/72/525454572.db2.gz CWPCLBYVQAWQJP-UHFFFAOYSA-N 0 0 426.425 3.110 50 5 IGBARN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]nc1-2 ZINC000021018335 525535301 /nfs/dbraw/zinc/53/53/01/525535301.db2.gz UDYMYKCEMDLOBD-UHFFFAOYSA-N 0 0 433.468 3.055 50 5 IGBARN C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012805320 525887980 /nfs/dbraw/zinc/88/79/80/525887980.db2.gz HTBXYCSVWLORJT-SNVBAGLBSA-N 0 0 440.239 3.202 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009662916 526424425 /nfs/dbraw/zinc/42/44/25/526424425.db2.gz RSEAEEULXMDXBV-UHFFFAOYSA-N 0 0 429.385 3.327 50 5 IGBARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012781418 526595013 /nfs/dbraw/zinc/59/50/13/526595013.db2.gz RHLNTDJDOOYNPP-UHFFFAOYSA-N 0 0 435.477 3.480 50 5 IGBARN O=C(Nc1ccc(I)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000000679970 527219563 /nfs/dbraw/zinc/21/95/63/527219563.db2.gz VDBQARXSZDGGRB-UHFFFAOYSA-N 0 0 438.181 3.290 50 5 IGBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000012376105 527432978 /nfs/dbraw/zinc/43/29/78/527432978.db2.gz ZDPYMGISAFBJDY-MNJKBJKMSA-N 0 0 440.484 3.274 50 5 IGBARN O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252679610 527449351 /nfs/dbraw/zinc/44/93/51/527449351.db2.gz OYXBIPVIGMLNOH-QFIPXVFZSA-N 0 0 440.484 3.274 50 5 IGBARN O=c1nc2ccccn2c2cc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)cc12 ZINC000012377444 527496948 /nfs/dbraw/zinc/49/69/48/527496948.db2.gz IWGSHCUPPWPSKZ-UHFFFAOYSA-N 0 0 425.897 3.248 50 5 IGBARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1C=C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000022658884 556093080 /nfs/dbraw/zinc/09/30/80/556093080.db2.gz AUGHPDHYZTXLHK-KPHUOKFYSA-N 0 0 444.440 3.226 50 5 IGBARN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000004422292 556503038 /nfs/dbraw/zinc/50/30/38/556503038.db2.gz NDXBKOMJNOIYGW-UHFFFAOYSA-N 0 0 433.486 3.420 50 5 IGBARN CCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1ccccn1c2=O ZINC000100707518 556655551 /nfs/dbraw/zinc/65/55/51/556655551.db2.gz JSKVJCKYSKOPIY-UHFFFAOYSA-N 0 0 442.928 3.415 50 5 IGBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000019202516 556707786 /nfs/dbraw/zinc/70/77/86/556707786.db2.gz RNAQFUZWUHGIFW-LBPRGKRZSA-N 0 0 437.671 3.029 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013659159 556707780 /nfs/dbraw/zinc/70/77/80/556707780.db2.gz HELTVISIBNMGKY-QHAWAJNXSA-N 0 0 431.404 3.352 50 5 IGBARN O=[N+]([O-])c1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC2CC2)o1 ZINC000013693307 556711044 /nfs/dbraw/zinc/71/10/44/556711044.db2.gz FDHVZNIUSMXLQF-UHFFFAOYSA-N 0 0 443.437 3.428 50 5 IGBARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c([N+](=O)[O-])c1 ZINC000013959996 557006523 /nfs/dbraw/zinc/00/65/23/557006523.db2.gz PLHYHVKTZSDVNX-UHFFFAOYSA-N 0 0 426.454 3.379 50 5 IGBARN O=C(NCCc1ccccc1F)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048274190 557051530 /nfs/dbraw/zinc/05/15/30/557051530.db2.gz YIMXVTOFWXQCHD-UHFFFAOYSA-N 0 0 425.464 3.112 50 5 IGBARN O=C(c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000048287649 557053237 /nfs/dbraw/zinc/05/32/37/557053237.db2.gz HANMLDKWHFOQLV-UHFFFAOYSA-N 0 0 430.892 3.047 50 5 IGBARN COc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000754935 557168939 /nfs/dbraw/zinc/16/89/39/557168939.db2.gz OWQDEKSSQKMBMO-NRFANRHFSA-N 0 0 445.431 3.449 50 5 IGBARN O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000101189344 557262669 /nfs/dbraw/zinc/26/26/69/557262669.db2.gz IVTYULKILJKVRZ-ROUUACIJSA-N 0 0 440.500 3.020 50 5 IGBARN 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COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000033457445 557399340 /nfs/dbraw/zinc/39/93/40/557399340.db2.gz ZWMOVRANIWRBCE-PDICVPPASA-N 0 0 429.410 3.380 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ncccc1[N+](=O)[O-] ZINC000104103876 557450004 /nfs/dbraw/zinc/45/00/04/557450004.db2.gz OFFRLBINWIOXBJ-UHFFFAOYSA-N 0 0 437.324 3.293 50 5 IGBARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000106798187 557532683 /nfs/dbraw/zinc/53/26/83/557532683.db2.gz FCOIEZYTLCVFKB-OAQYLSRUSA-N 0 0 436.512 3.057 50 5 IGBARN Cn1cc([C@H](CC(=O)NCCN2CCOCC2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798193 557532762 /nfs/dbraw/zinc/53/27/62/557532762.db2.gz KJMNOASPVCJKOK-OAQYLSRUSA-N 0 0 436.512 3.057 50 5 IGBARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008666734 562960606 /nfs/dbraw/zinc/96/06/06/562960606.db2.gz YYJVPYWIACAWJS-UHFFFAOYSA-N 0 0 433.486 3.484 50 5 IGBARN 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ZINC000001097980 568658208 /nfs/dbraw/zinc/65/82/08/568658208.db2.gz PDFFKJSCIJFANH-UHFFFAOYSA-N 0 0 426.166 3.238 50 5 IGBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000001173723 568732710 /nfs/dbraw/zinc/73/27/10/568732710.db2.gz NIAWPRFZXKMTMJ-UHFFFAOYSA-N 0 0 425.264 3.278 50 5 IGBARN CC(=O)Nc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C ZINC000025600807 568737182 /nfs/dbraw/zinc/73/71/82/568737182.db2.gz KFXIYKLGIXKEEN-UHFFFAOYSA-N 0 0 426.458 3.394 50 5 IGBARN O=C(N[C@@H]1CCCc2ccccc21)c1[nH]nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000034789580 568738220 /nfs/dbraw/zinc/73/82/20/568738220.db2.gz GSYUVZVOQCCKMI-HXUWFJFHSA-N 0 0 445.479 3.324 50 5 IGBARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019171562 568782319 /nfs/dbraw/zinc/78/23/19/568782319.db2.gz GOHDMJMWXUVVEM-BZSNNMDCSA-N 0 0 447.278 3.437 50 5 IGBARN COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000015463846 568782609 /nfs/dbraw/zinc/78/26/09/568782609.db2.gz RXGVEPARKNFFKR-UHFFFAOYSA-N 0 0 426.256 3.299 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000012752678 568795841 /nfs/dbraw/zinc/79/58/41/568795841.db2.gz JBMPMXNVFYIUQS-UHFFFAOYSA-N 0 0 433.552 3.306 50 5 IGBARN O=C(CN(C[C@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CCCC1 ZINC000084519313 568798428 /nfs/dbraw/zinc/79/84/28/568798428.db2.gz JKVIXLFNUZOMND-HXUWFJFHSA-N 0 0 437.496 3.434 50 5 IGBARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000015686565 568804587 /nfs/dbraw/zinc/80/45/87/568804587.db2.gz RVLQBPMFYAVTOO-UHFFFAOYSA-N 0 0 432.230 3.372 50 5 IGBARN O=C(NCc1cccnc1)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000006181004 568867781 /nfs/dbraw/zinc/86/77/81/568867781.db2.gz YPQRSHMHIJERHK-UHFFFAOYSA-N 0 0 431.857 3.406 50 5 IGBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000016045622 568868238 /nfs/dbraw/zinc/86/82/38/568868238.db2.gz VPXDKLKXAXHASZ-INIZCTEOSA-N 0 0 430.461 3.460 50 5 IGBARN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000013000577 568898774 /nfs/dbraw/zinc/89/87/74/568898774.db2.gz CITYFBFPCKYWFN-UHFFFAOYSA-N 0 0 441.868 3.427 50 5 IGBARN CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000016447952 568903076 /nfs/dbraw/zinc/90/30/76/568903076.db2.gz WXUSHRAFSVDKIK-SFHVURJKSA-N 0 0 443.481 3.387 50 5 IGBARN CN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000089326654 568921027 /nfs/dbraw/zinc/92/10/27/568921027.db2.gz KZLCSGJKBYZSTG-UHFFFAOYSA-N 0 0 432.502 3.088 50 5 IGBARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000036083463 568947210 /nfs/dbraw/zinc/94/72/10/568947210.db2.gz UAJGWXYZGIMYAM-LJQANCHMSA-N 0 0 429.404 3.326 50 5 IGBARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O ZINC000006731660 568967500 /nfs/dbraw/zinc/96/75/00/568967500.db2.gz QNZOSOHNEWCYFL-JSJZUPIVSA-N 0 0 432.410 3.461 50 5 IGBARN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc21 ZINC000064952090 568997344 /nfs/dbraw/zinc/99/73/44/568997344.db2.gz WXMJDOSPLHSCCX-UHFFFAOYSA-N 0 0 425.463 3.383 50 5 IGBARN CCc1nnc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 ZINC000009883856 569150123 /nfs/dbraw/zinc/15/01/23/569150123.db2.gz YPXKWSHWYAUJBB-UHFFFAOYSA-N 0 0 434.455 3.029 50 5 IGBARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000010059163 569152068 /nfs/dbraw/zinc/15/20/68/569152068.db2.gz ZQYXXXVFUAVASK-DEOSSOPVSA-N 0 0 446.415 3.331 50 5 IGBARN CCn1c(C)cc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)cc(C)n(CC)c2=O)c1=O ZINC000010217751 569153376 /nfs/dbraw/zinc/15/33/76/569153376.db2.gz MHZITEQBZDFKDF-UHFFFAOYSA-N 0 0 439.468 3.166 50 5 IGBARN CC(C)NC(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1 ZINC000037399303 569194429 /nfs/dbraw/zinc/19/44/29/569194429.db2.gz GYKPMJYCPHMTDJ-UHFFFAOYSA-N 0 0 428.518 3.207 50 5 IGBARN O=C1c2ccccc2C(=O)N1c1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027533860 569267073 /nfs/dbraw/zinc/26/70/73/569267073.db2.gz LGXXMDMLZRTJBT-QGZVFWFLSA-N 0 0 434.404 3.214 50 5 IGBARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000008927325 569292487 /nfs/dbraw/zinc/29/24/87/569292487.db2.gz FQYCKGRZLCKHGW-ZDUSSCGKSA-N 0 0 447.241 3.136 50 5 IGBARN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000009327819 569295558 /nfs/dbraw/zinc/29/55/58/569295558.db2.gz BHHUHFXWRPZJSX-UHFFFAOYSA-N 0 0 441.513 3.480 50 5 IGBARN CC1(C)CCc2cc(CC(=O)N3C[C@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)ccc2O1 ZINC000524729570 569297749 /nfs/dbraw/zinc/29/77/49/569297749.db2.gz ZAZNHSBOHLKQIB-AEFFLSMTSA-N 0 0 437.496 3.049 50 5 IGBARN CC(C)c1ccc(-c2nnn(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)n2)cc1 ZINC000010450705 569300143 /nfs/dbraw/zinc/30/01/43/569300143.db2.gz CDLQJTHWODCHDQ-UHFFFAOYSA-N 0 0 438.444 3.172 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000013114282 569310152 /nfs/dbraw/zinc/31/01/52/569310152.db2.gz FRVFBFJOQFWECO-UHFFFAOYSA-N 0 0 435.502 3.260 50 5 IGBARN COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c([N+](=O)[O-])c1 ZINC000019160194 569316347 /nfs/dbraw/zinc/31/63/47/569316347.db2.gz RWZCNCQTSJJHNR-UHFFFAOYSA-N 0 0 438.417 3.233 50 5 IGBARN COC(=O)c1cc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc([N+](=O)[O-])c1 ZINC000079046356 569323156 /nfs/dbraw/zinc/32/31/56/569323156.db2.gz VXDXLVQXWGUEDO-UHFFFAOYSA-N 0 0 443.456 3.115 50 5 IGBARN COc1ccc(CCc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc1 ZINC000019647006 569325154 /nfs/dbraw/zinc/32/51/54/569325154.db2.gz SBUZZQPFMVFZSX-UHFFFAOYSA-N 0 0 448.439 3.274 50 5 IGBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCCOc1ccccc1Cc1ccccc1 ZINC000095481796 569374156 /nfs/dbraw/zinc/37/41/56/569374156.db2.gz YLRPTDJBQQRHBF-UHFFFAOYSA-N 0 0 437.477 3.303 50 5 IGBARN COc1cc(-c2noc([C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC ZINC000096277983 569388930 /nfs/dbraw/zinc/38/89/30/569388930.db2.gz QVTYXXYGTYVSTQ-NSHDSACASA-N 0 0 428.401 3.162 50 5 IGBARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc([N+](=O)[O-])c3)oc2N2CCOCC2)cc1 ZINC000002501919 569406122 /nfs/dbraw/zinc/40/61/22/569406122.db2.gz IHSWSWXUVPSKTP-UHFFFAOYSA-N 0 0 429.454 3.228 50 5 IGBARN CN(CCCC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002862709 569423587 /nfs/dbraw/zinc/42/35/87/569423587.db2.gz OUESFOZYDWZXKJ-UHFFFAOYSA-N 0 0 434.499 3.244 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002942689 569426642 /nfs/dbraw/zinc/42/66/42/569426642.db2.gz LXZCLPIPAPWRBU-UHFFFAOYSA-N 0 0 430.372 3.435 50 5 IGBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] ZINC000226702016 569428531 /nfs/dbraw/zinc/42/85/31/569428531.db2.gz DVPFLIMJWPWIAV-XLAORIBOSA-N 0 0 445.388 3.205 50 5 IGBARN COc1ccccc1N1CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1 ZINC000002957380 569432434 /nfs/dbraw/zinc/43/24/34/569432434.db2.gz TYJZRCFSCVBBTP-UHFFFAOYSA-N 0 0 448.910 3.472 50 5 IGBARN NC(=O)CSc1nc2c3cc([N+](=O)[O-])ccc3sc2c(=O)n1Cc1ccccc1 ZINC000002960372 569432819 /nfs/dbraw/zinc/43/28/19/569432819.db2.gz GRQLVXPHTLJRHL-UHFFFAOYSA-N 0 0 426.479 3.145 50 5 IGBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccc(I)c1 ZINC000002982290 569433712 /nfs/dbraw/zinc/43/37/12/569433712.db2.gz SXUMFNUIRQKBFO-UHFFFAOYSA-N 0 0 427.223 3.326 50 5 IGBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1[N+](=O)[O-] ZINC000003008485 569435097 /nfs/dbraw/zinc/43/50/97/569435097.db2.gz CJYTWQJGNWTOFE-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)c1C ZINC000003009544 569435099 /nfs/dbraw/zinc/43/50/99/569435099.db2.gz XRHGKECIDNOXQY-UHFFFAOYSA-N 0 0 440.481 3.386 50 5 IGBARN COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057509380 569438347 /nfs/dbraw/zinc/43/83/47/569438347.db2.gz XGCVZLZPAHATEZ-KRWDZBQOSA-N 0 0 449.511 3.151 50 5 IGBARN O=C(OCc1ccccc1I)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003127010 569440536 /nfs/dbraw/zinc/44/05/36/569440536.db2.gz XEDCEKSFNMUKOQ-UHFFFAOYSA-N 0 0 428.138 3.465 50 5 IGBARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCCn1cccn1 ZINC000030168952 569440987 /nfs/dbraw/zinc/44/09/87/569440987.db2.gz WLRMALVGMLJLIG-UHFFFAOYSA-N 0 0 430.468 3.393 50 5 IGBARN CCc1ccc(N2C[C@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 ZINC000003281891 569443920 /nfs/dbraw/zinc/44/39/20/569443920.db2.gz LLIAFENVGXOVDZ-OAHLLOKOSA-N 0 0 426.425 3.120 50 5 IGBARN CCCS(=O)(=O)Nc1cccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000058014441 569444994 /nfs/dbraw/zinc/44/49/94/569444994.db2.gz VZIQXLHHRAZJKC-UHFFFAOYSA-N 0 0 436.490 3.114 50 5 IGBARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2I)cc1[N+](=O)[O-] ZINC000030835987 569449189 /nfs/dbraw/zinc/44/91/89/569449189.db2.gz ZGEDPEOBYSWYJX-UHFFFAOYSA-N 0 0 432.239 3.333 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1SC ZINC000003491670 569452555 /nfs/dbraw/zinc/45/25/55/569452555.db2.gz OEWOXKYFYPDJED-ZDUSSCGKSA-N 0 0 432.502 3.223 50 5 IGBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000003623209 569455129 /nfs/dbraw/zinc/45/51/29/569455129.db2.gz KMNHZMYHCRXOQP-MRXNPFEDSA-N 0 0 442.877 3.230 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000004015650 569458220 /nfs/dbraw/zinc/45/82/20/569458220.db2.gz XPQKVBHHWZMBLT-UHFFFAOYSA-N 0 0 443.153 3.369 50 5 IGBARN NC(=O)C1CCN(c2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(NCc3ccco3)n2)CC1 ZINC000038488517 569462731 /nfs/dbraw/zinc/46/27/31/569462731.db2.gz UPGHXNDFLJDBNT-CMDGGOBGSA-N 0 0 448.483 3.462 50 5 IGBARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000008396418 569463224 /nfs/dbraw/zinc/46/32/24/569463224.db2.gz ZWMOVRANIWRBCE-BTAWCLGRSA-N 0 0 429.410 3.380 50 5 IGBARN COc1cccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)c1 ZINC000008660776 569469669 /nfs/dbraw/zinc/46/96/69/569469669.db2.gz VMPFVFMNGIIDLS-RTBURBONSA-N 0 0 449.444 3.418 50 5 IGBARN O=C1N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 ZINC000008828033 569477753 /nfs/dbraw/zinc/47/77/53/569477753.db2.gz OSOBTAOJDNLXNR-HOTGVXAUSA-N 0 0 441.387 3.226 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000040116242 569489270 /nfs/dbraw/zinc/48/92/70/569489270.db2.gz DEXZGVVRPALBHK-CQSZACIVSA-N 0 0 430.490 3.112 50 5 IGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000040155559 569493972 /nfs/dbraw/zinc/49/39/72/569493972.db2.gz IGASQTSWUQMAQS-CQSZACIVSA-N 0 0 428.363 3.276 50 5 IGBARN COc1ccc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 ZINC000040157685 569494311 /nfs/dbraw/zinc/49/43/11/569494311.db2.gz NKQSYAQTRNSYMG-WMQCIHAUSA-N 0 0 428.441 3.122 50 5 IGBARN NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000009127191 569505148 /nfs/dbraw/zinc/50/51/48/569505148.db2.gz DVSJGGXBKFTISN-UHFFFAOYSA-N 0 0 448.435 3.101 50 5 IGBARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000009190660 569510606 /nfs/dbraw/zinc/51/06/06/569510606.db2.gz KRTBOMGLVDGKMS-DEOSSOPVSA-N 0 0 446.415 3.331 50 5 IGBARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000009283770 569518908 /nfs/dbraw/zinc/51/89/08/569518908.db2.gz MGEREGFJOFKVCL-UHFFFAOYSA-N 0 0 444.469 3.052 50 5 IGBARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC)C1 ZINC000009347537 569524247 /nfs/dbraw/zinc/52/42/47/569524247.db2.gz MMVNLGKOWCENOQ-UHFFFAOYSA-N 0 0 433.442 3.210 50 5 IGBARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009403159 569529417 /nfs/dbraw/zinc/52/94/17/569529417.db2.gz FZJRZOFUSQPVIH-UHFFFAOYSA-N 0 0 442.497 3.462 50 5 IGBARN CCOC(=O)c1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(C(=O)OCC)c1 ZINC000009440113 569535144 /nfs/dbraw/zinc/53/51/44/569535144.db2.gz UMFGUVDKTXGIAE-UHFFFAOYSA-N 0 0 431.397 3.394 50 5 IGBARN Cc1c(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000009493691 569540793 /nfs/dbraw/zinc/54/07/93/569540793.db2.gz WLNXOHNVUBWQNE-UHFFFAOYSA-N 0 0 443.500 3.108 50 5 IGBARN CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009495075 569541017 /nfs/dbraw/zinc/54/10/17/569541017.db2.gz CKBJVYGDRFVWBO-IBGZPJMESA-N 0 0 430.486 3.444 50 5 IGBARN COc1ccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000009506979 569541893 /nfs/dbraw/zinc/54/18/93/569541893.db2.gz KFKFQRPEMJHAEM-UHFFFAOYSA-N 0 0 427.335 3.216 50 5 IGBARN COc1ccc(C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 ZINC000009518652 569544159 /nfs/dbraw/zinc/54/41/59/569544159.db2.gz BAXBOSDQFWNFCZ-UHFFFAOYSA-N 0 0 442.453 3.200 50 5 IGBARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000009544992 569546113 /nfs/dbraw/zinc/54/61/13/569546113.db2.gz KLKDEMLITOMABI-AWEZNQCLSA-N 0 0 445.859 3.345 50 5 IGBARN COc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009633612 569554260 /nfs/dbraw/zinc/55/42/60/569554260.db2.gz GMDDJYFJLJVOMK-UHFFFAOYSA-N 0 0 428.319 3.183 50 5 IGBARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000009766045 569566823 /nfs/dbraw/zinc/56/68/23/569566823.db2.gz QXACKYCQWZDHQZ-UHFFFAOYSA-N 0 0 429.454 3.122 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1C ZINC000009891975 569572975 /nfs/dbraw/zinc/57/29/75/569572975.db2.gz QAJDZGUPAMQXDP-UHFFFAOYSA-N 0 0 430.530 3.297 50 5 IGBARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000010187228 569578578 /nfs/dbraw/zinc/57/85/78/569578578.db2.gz ASQDRFCUWNNNEP-LBPRGKRZSA-N 0 0 445.906 3.110 50 5 IGBARN CNc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000008817724 132294872 /nfs/dbraw/zinc/29/48/72/132294872.db2.gz HYVDDGDYWWVMDH-UHFFFAOYSA-N 0 0 426.498 3.301 50 5 IGBARN C[C@H](CCc1ccccc1)Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000008855100 132296192 /nfs/dbraw/zinc/29/61/92/132296192.db2.gz MYHATGYCPPREHL-QGZVFWFLSA-N 0 0 432.546 3.110 50 5 IGBARN O=[N+]([O-])c1ccc(NN=c2nc(N3CCCCC3)nc(N3CCCCC3)[nH]2)c([N+](=O)[O-])c1 ZINC000009310372 132313311 /nfs/dbraw/zinc/31/33/11/132313311.db2.gz CZSOJZFXYFZJCU-UHFFFAOYSA-N 0 0 443.468 3.108 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000248263317 518593809 /nfs/dbraw/zinc/59/38/09/518593809.db2.gz NGRVVTWGWQTRJM-WTGUMLROSA-N 0 0 446.463 3.089 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 ZINC000012528131 519592413 /nfs/dbraw/zinc/59/24/13/519592413.db2.gz OQTJWZGGJDDIED-CVEARBPZSA-N 0 0 442.438 3.114 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 ZINC000012561792 519592498 /nfs/dbraw/zinc/59/24/98/519592498.db2.gz MRSVQTXFVZGBKG-ZDUSSCGKSA-N 0 0 432.427 3.033 50 5 IGBARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000028173550 519719970 /nfs/dbraw/zinc/71/99/70/519719970.db2.gz QTFFOKYLSYUOEB-HSZRJFAPSA-N 0 0 437.452 3.273 50 5 IGBARN CCOc1cc2c(cc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012634586 520795694 /nfs/dbraw/zinc/79/56/94/520795694.db2.gz ZXPAGFNMUZDZHN-CQSZACIVSA-N 0 0 427.457 3.406 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(Nc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000058157970 520806303 /nfs/dbraw/zinc/80/63/03/520806303.db2.gz WZJTUKOPRUZBIJ-UHFFFAOYSA-N 0 0 448.545 3.201 50 5 IGBARN CC1=Nc2nnnn2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000012604344 520824724 /nfs/dbraw/zinc/82/47/24/520824724.db2.gz ZTWQIXMVRQSCEP-QGZVFWFLSA-N 0 0 426.820 3.267 50 5 IGBARN CCOc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1OC ZINC000012797185 521228695 /nfs/dbraw/zinc/22/86/95/521228695.db2.gz VXNONHYTNZLXOA-HXUWFJFHSA-N 0 0 443.500 3.114 50 5 IGBARN CN(CC(=O)Nc1cccc2ccccc21)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000033012139 522514840 /nfs/dbraw/zinc/51/48/40/522514840.db2.gz RLLXHZHPTJOKCN-UHFFFAOYSA-N 0 0 448.479 3.295 50 5 IGBARN CNc1ccc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000022087347 522602557 /nfs/dbraw/zinc/60/25/57/522602557.db2.gz YBIULWVMHVFDCY-UHFFFAOYSA-N 0 0 433.486 3.400 50 5 IGBARN COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)n2)cc1 ZINC000021687824 523164266 /nfs/dbraw/zinc/16/42/66/523164266.db2.gz LRHIKEBJSROBDG-UHFFFAOYSA-N 0 0 428.470 3.278 50 5 IGBARN COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCCCC2)=N1 ZINC000012417431 523827143 /nfs/dbraw/zinc/82/71/43/523827143.db2.gz OFGQHDCQIUIJQA-INIZCTEOSA-N 0 0 443.407 3.150 50 5 IGBARN Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C ZINC000022097547 524565972 /nfs/dbraw/zinc/56/59/72/524565972.db2.gz QMOLTNOLKRYBDJ-HOTGVXAUSA-N 0 0 425.441 3.135 50 5 IGBARN Cc1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)n1 ZINC000020663210 524660919 /nfs/dbraw/zinc/66/09/19/524660919.db2.gz CLBYWKJJPFAGNC-AEFFLSMTSA-N 0 0 445.479 3.336 50 5 IGBARN COc1ccc([C@@H]2CC(=O)Oc3n[nH]c(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1OC ZINC000012420149 525236750 /nfs/dbraw/zinc/23/67/50/525236750.db2.gz YUMZVLHRRCNMOL-AWEZNQCLSA-N 0 0 425.397 3.452 50 5 IGBARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000012632085 525275336 /nfs/dbraw/zinc/27/53/36/525275336.db2.gz BZBMXTJVMZBWGE-UHFFFAOYSA-N 0 0 449.471 3.371 50 5 IGBARN COc1ccc([C@H]2OC(c3cc(Cl)cc([N+](=O)[O-])c3OC(C)=O)=NN2C(C)=O)cc1 ZINC000021091988 525432746 /nfs/dbraw/zinc/43/27/46/525432746.db2.gz NQZALMNABKQSJP-LJQANCHMSA-N 0 0 433.804 3.421 50 5 IGBARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000008396737 526677202 /nfs/dbraw/zinc/67/72/02/526677202.db2.gz GSSLMFCEMQVXRT-UHFFFAOYSA-N 0 0 430.892 3.047 50 5 IGBARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012744030 526760595 /nfs/dbraw/zinc/76/05/95/526760595.db2.gz HTZYYPQDWADEHD-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC[C@@H]1CCCO1 ZINC000035044632 526914297 /nfs/dbraw/zinc/91/42/97/526914297.db2.gz HVQMNVCILYYXEY-INIZCTEOSA-N 0 0 434.832 3.493 50 5 IGBARN O=C(Nc1ccc(Cn2cc(Br)cn2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000017094592 527190054 /nfs/dbraw/zinc/19/00/54/527190054.db2.gz RMKQVEDTACWKQZ-UHFFFAOYSA-N 0 0 425.630 3.231 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012514754 527340225 /nfs/dbraw/zinc/34/02/25/527340225.db2.gz NKXFEQFJUUVFOL-OLZOCXBDSA-N 0 0 437.440 3.149 50 5 IGBARN O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252679609 527449189 /nfs/dbraw/zinc/44/91/89/527449189.db2.gz OYXBIPVIGMLNOH-JOCHJYFZSA-N 0 0 440.484 3.274 50 5 IGBARN COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1OC ZINC000032770610 556334587 /nfs/dbraw/zinc/33/45/87/556334587.db2.gz JGCQWEDYOTXDOX-UHFFFAOYSA-N 0 0 430.866 3.095 50 5 IGBARN Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032774235 556336320 /nfs/dbraw/zinc/33/63/20/556336320.db2.gz SJFQASQMDSZKMG-INIZCTEOSA-N 0 0 427.457 3.232 50 5 IGBARN Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032774233 556336342 /nfs/dbraw/zinc/33/63/42/556336342.db2.gz SJFQASQMDSZKMG-MRXNPFEDSA-N 0 0 427.457 3.232 50 5 IGBARN COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015168109 556507273 /nfs/dbraw/zinc/50/72/73/556507273.db2.gz VWTKURZAQWHRID-HNNXBMFYSA-N 0 0 434.518 3.252 50 5 IGBARN N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 ZINC000100707443 556655626 /nfs/dbraw/zinc/65/56/26/556655626.db2.gz YHMDBTBVFSSJGU-UHFFFAOYSA-N 0 0 442.500 3.010 50 5 IGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCNc4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000032926984 556656097 /nfs/dbraw/zinc/65/60/97/556656097.db2.gz QKPOWMLHNAFMTB-INIZCTEOSA-N 0 0 430.530 3.448 50 5 IGBARN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000024222783 556693794 /nfs/dbraw/zinc/69/37/94/556693794.db2.gz KHRYFZRCMOUAHH-UHFFFAOYSA-N 0 0 441.252 3.248 50 5 IGBARN COCCOCOc1cc2oc3cc(OCOCCOC)c(F)cc3c(=O)c2cc1F ZINC000140073287 556721970 /nfs/dbraw/zinc/72/19/70/556721970.db2.gz LFIHRJXHCRUKGF-UHFFFAOYSA-N 0 0 440.395 3.223 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000013942854 556974570 /nfs/dbraw/zinc/97/45/70/556974570.db2.gz ZVWDSRZBRHFEKD-UHFFFAOYSA-N 0 0 433.486 3.276 50 5 IGBARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000013955838 556975793 /nfs/dbraw/zinc/97/57/93/556975793.db2.gz MCCIHEOBTSXNPK-GFCCVEGCSA-N 0 0 443.460 3.328 50 5 IGBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000024768085 557135019 /nfs/dbraw/zinc/13/50/19/557135019.db2.gz SQOFILPHJBHEED-UHFFFAOYSA-N 0 0 435.477 3.390 50 5 IGBARN Cc1ccc(-c2noc(CCCN3CCN(C(=O)Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000024823132 557154278 /nfs/dbraw/zinc/15/42/78/557154278.db2.gz REMSVDBYORVKJB-UHFFFAOYSA-N 0 0 449.511 3.273 50 5 IGBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010970917 557182499 /nfs/dbraw/zinc/18/24/99/557182499.db2.gz NCQOOTXONPHADT-GFCCVEGCSA-N 0 0 430.848 3.084 50 5 IGBARN CCCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100826740 557189780 /nfs/dbraw/zinc/18/97/80/557189780.db2.gz GVDPJFNXXNDWPN-UHFFFAOYSA-N 0 0 436.537 3.460 50 5 IGBARN CCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101124759 557261213 /nfs/dbraw/zinc/26/12/13/557261213.db2.gz SZIQHFFVGNKFMJ-UHFFFAOYSA-N 0 0 429.524 3.476 50 5 IGBARN CCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c1nc1c(C)cccn1c2=O ZINC000100942171 557279503 /nfs/dbraw/zinc/27/95/03/557279503.db2.gz CIURVYPXLVLDPQ-UHFFFAOYSA-N 0 0 436.537 3.297 50 5 IGBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1cccc(Cl)c1 ZINC000014167722 557312959 /nfs/dbraw/zinc/31/29/59/557312959.db2.gz CWBMQDQPNAJVBV-UHFFFAOYSA-N 0 0 435.849 3.159 50 5 IGBARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102745079 557377724 /nfs/dbraw/zinc/37/77/24/557377724.db2.gz RINUAEOSYFYLJS-SFHVURJKSA-N 0 0 428.470 3.011 50 5 IGBARN O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100480277 557409343 /nfs/dbraw/zinc/40/93/43/557409343.db2.gz SICHCNGFJGTIOT-GOSISDBHSA-N 0 0 449.294 3.356 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000100547709 557424960 /nfs/dbraw/zinc/42/49/60/557424960.db2.gz 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CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000253427272 569267367 /nfs/dbraw/zinc/26/73/67/569267367.db2.gz OOVHQGOYNSYVDY-OAHLLOKOSA-N 0 0 438.912 3.015 50 5 IGBARN O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000002318325 569273351 /nfs/dbraw/zinc/27/33/51/569273351.db2.gz UQWSOOSKVWVFLY-AWEZNQCLSA-N 0 0 430.467 3.067 50 5 IGBARN COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000009011838 569292944 /nfs/dbraw/zinc/29/29/44/569292944.db2.gz GZDNHZYETZICRZ-YVLHZVERSA-N 0 0 443.437 3.287 50 5 IGBARN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(N)c1 ZINC000009849858 569298290 /nfs/dbraw/zinc/29/82/90/569298290.db2.gz PFBHRLHJAYMTNA-UHFFFAOYSA-N 0 0 428.474 3.195 50 5 IGBARN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013097191 569309715 /nfs/dbraw/zinc/30/97/15/569309715.db2.gz UCSBHGUUARQKDF-UHFFFAOYSA-N 0 0 429.864 3.254 50 5 IGBARN CN(C)CCN(CCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000079047823 569323280 /nfs/dbraw/zinc/32/32/80/569323280.db2.gz AJSPCFIYFIJDAO-UHFFFAOYSA-N 0 0 427.473 3.202 50 5 IGBARN COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1OC ZINC000020152653 569353436 /nfs/dbraw/zinc/35/34/36/569353436.db2.gz DIRHCTVRSIMPSP-UHFFFAOYSA-N 0 0 433.420 3.126 50 5 IGBARN Cc1c(NC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000020355025 569361310 /nfs/dbraw/zinc/36/13/10/569361310.db2.gz ATSBIPAWJIGHHO-UHFFFAOYSA-N 0 0 429.436 3.238 50 5 IGBARN CCc1nc(N)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000095443950 569366809 /nfs/dbraw/zinc/36/68/09/569366809.db2.gz VQHHPGSLBUEXIO-SSDOTTSWSA-N 0 0 432.380 3.399 50 5 IGBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCS(=O)CC2)c([N+](=O)[O-])c1 ZINC000095458351 569369223 /nfs/dbraw/zinc/36/92/23/569369223.db2.gz YUSTWSQKJIRSPA-UHFFFAOYSA-N 0 0 437.543 3.133 50 5 IGBARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)ccc2=O)cc1 ZINC000096358624 569397516 /nfs/dbraw/zinc/39/75/16/569397516.db2.gz MJLZLWWQQZOMDL-UHFFFAOYSA-N 0 0 447.495 3.227 50 5 IGBARN O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl ZINC000028294112 569409690 /nfs/dbraw/zinc/40/96/90/569409690.db2.gz GRGSHAQGEIIIQT-LLVKDONJSA-N 0 0 445.781 3.095 50 5 IGBARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002635601 569412950 /nfs/dbraw/zinc/41/29/50/569412950.db2.gz MVHAAEKPTUBCON-UHFFFAOYSA-N 0 0 426.381 3.423 50 5 IGBARN O=[N+]([O-])c1cnn(CCNC(=S)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 ZINC000002727854 569418053 /nfs/dbraw/zinc/41/80/53/569418053.db2.gz IKHVQQBMCQWCQL-UHFFFAOYSA-N 0 0 440.316 3.330 50 5 IGBARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000002874542 569423814 /nfs/dbraw/zinc/42/38/14/569423814.db2.gz UAMMCJZXYFVRMK-UHFFFAOYSA-N 0 0 433.486 3.467 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1 ZINC000003008560 569435076 /nfs/dbraw/zinc/43/50/76/569435076.db2.gz HPBXWJAERLNDEH-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1 ZINC000003008558 569435287 /nfs/dbraw/zinc/43/52/87/569435287.db2.gz GEBYIYLLZMMLRE-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000003092845 569440031 /nfs/dbraw/zinc/44/00/31/569440031.db2.gz XQXIJYOBNPXASW-UHFFFAOYSA-N 0 0 434.499 3.487 50 5 IGBARN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003223020 569442012 /nfs/dbraw/zinc/44/20/12/569442012.db2.gz OUHCHGXHBHLEPM-KRWDZBQOSA-N 0 0 442.399 3.171 50 5 IGBARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003362912 569447991 /nfs/dbraw/zinc/44/79/91/569447991.db2.gz VQLIUORTNIOPED-UHFFFAOYSA-N 0 0 441.223 3.241 50 5 IGBARN O=C(/N=c1\sn(-c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1)NCc1ccccc1 ZINC000003844398 569456604 /nfs/dbraw/zinc/45/66/04/569456604.db2.gz 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CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000009224065 569513132 /nfs/dbraw/zinc/51/31/32/569513132.db2.gz QBYBVCRQUZXHPT-INIZCTEOSA-N 0 0 447.904 3.037 50 5 IGBARN O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000009234463 569513953 /nfs/dbraw/zinc/51/39/53/569513953.db2.gz HVYMNOLZEFMAHK-UHFFFAOYSA-N 0 0 429.388 3.364 50 5 IGBARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n3N)n[nH]2)cc1 ZINC000009453432 569536608 /nfs/dbraw/zinc/53/66/08/569536608.db2.gz YGGMMVLEKJHBPD-UHFFFAOYSA-N 0 0 435.469 3.241 50 5 IGBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009492931 569540668 /nfs/dbraw/zinc/54/06/68/569540668.db2.gz IXDRBCVXWKJXAX-UHFFFAOYSA-N 0 0 439.472 3.456 50 5 IGBARN O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009510219 569542682 /nfs/dbraw/zinc/54/26/82/569542682.db2.gz NWBUZNOMACEBQV-OAHLLOKOSA-N 0 0 435.845 3.233 50 5 IGBARN CCOc1ccccc1-n1nnnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009612675 569552937 /nfs/dbraw/zinc/55/29/37/569552937.db2.gz QLDPUAVTDIAYOS-UHFFFAOYSA-N 0 0 425.430 3.312 50 5 IGBARN COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000009728336 569564116 /nfs/dbraw/zinc/56/41/16/569564116.db2.gz LDVBRFUAZMSFEL-UHFFFAOYSA-N 0 0 426.454 3.486 50 5 IGBARN CNS(=O)(=O)c1ccc(NCCSc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000009911109 569573208 /nfs/dbraw/zinc/57/32/08/569573208.db2.gz SREQYBKSARVVOA-UHFFFAOYSA-N 0 0 446.348 3.470 50 5 IGBARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000009982137 569576551 /nfs/dbraw/zinc/57/65/51/569576551.db2.gz RNVBHMOMUSNAEV-UHFFFAOYSA-N 0 0 448.410 3.168 50 5 IGBARN O=C(NC1CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000008662275 132289485 /nfs/dbraw/zinc/28/94/85/132289485.db2.gz OMOZSDQHVKTSIY-AEFFLSMTSA-N 0 0 436.512 3.443 50 5 IGBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009008842 132300430 /nfs/dbraw/zinc/30/04/30/132300430.db2.gz MBTWNFNHVVVXDF-LBPRGKRZSA-N 0 0 440.865 3.056 50 5 IGBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 ZINC000009561741 132321679 /nfs/dbraw/zinc/32/16/79/132321679.db2.gz FDKHVVPONXOLMU-AWEZNQCLSA-N 0 0 441.440 3.355 50 5 IGBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000009635478 132324089 /nfs/dbraw/zinc/32/40/89/132324089.db2.gz DTJLOHYCSTWFNR-UHFFFAOYSA-N 0 0 426.425 3.396 50 5 IGBARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000012533008 519016491 /nfs/dbraw/zinc/01/64/91/519016491.db2.gz RHHAONKWLUMKDT-UHFFFAOYSA-N 0 0 447.875 3.457 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 ZINC000012528130 519593235 /nfs/dbraw/zinc/59/32/35/519593235.db2.gz OQTJWZGGJDDIED-HZPDHXFCSA-N 0 0 442.438 3.114 50 5 IGBARN CC(=O)N1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 ZINC000012378145 519629781 /nfs/dbraw/zinc/62/97/81/519629781.db2.gz NHOIDUAINZBBTP-UHFFFAOYSA-N 0 0 444.494 3.127 50 5 IGBARN CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000012413210 520843560 /nfs/dbraw/zinc/84/35/60/520843560.db2.gz SAWMJCKVIGIGKA-GOSISDBHSA-N 0 0 440.408 3.134 50 5 IGBARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012767201 522508471 /nfs/dbraw/zinc/50/84/71/522508471.db2.gz ZLHOARRZFHIYRM-UHFFFAOYSA-N 0 0 441.362 3.430 50 5 IGBARN CNc1cc2ncn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2cc1[N+](=O)[O-] ZINC000012607948 522578642 /nfs/dbraw/zinc/57/86/42/522578642.db2.gz ZQMBWRLTTUOBTQ-LLVKDONJSA-N 0 0 439.255 3.093 50 5 IGBARN CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012629979 523007841 /nfs/dbraw/zinc/00/78/41/523007841.db2.gz BNXHUMNPGMEPDK-GOSISDBHSA-N 0 0 439.859 3.257 50 5 IGBARN CCn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000012237955 523271483 /nfs/dbraw/zinc/27/14/83/523271483.db2.gz MTSRMMRFJFMLGY-FMQUCBEESA-N 0 0 433.511 3.231 50 5 IGBARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000012653973 523283560 /nfs/dbraw/zinc/28/35/60/523283560.db2.gz LERPNFYBOKBHQB-UHFFFAOYSA-N 0 0 432.458 3.253 50 5 IGBARN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000022140774 525142027 /nfs/dbraw/zinc/14/20/27/525142027.db2.gz BNYCRZJDHTXXRV-MRXNPFEDSA-N 0 0 434.517 3.436 50 5 IGBARN Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000012521922 525151024 /nfs/dbraw/zinc/15/10/24/525151024.db2.gz YVGIRACILXXVID-KRWDZBQOSA-N 0 0 425.489 3.070 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000012371139 525466115 /nfs/dbraw/zinc/46/61/15/525466115.db2.gz NPPADMZHSVYQCV-UHFFFAOYSA-N 0 0 448.284 3.315 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1F ZINC000012597822 525661461 /nfs/dbraw/zinc/66/14/61/525661461.db2.gz JFDQHAIFIKQTGX-LBPRGKRZSA-N 0 0 427.429 3.067 50 5 IGBARN Cc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000035306364 525776249 /nfs/dbraw/zinc/77/62/49/525776249.db2.gz NJQVJOBMOJSXLV-JOCHJYFZSA-N 0 0 444.557 3.403 50 5 IGBARN Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000012643196 525836106 /nfs/dbraw/zinc/83/61/06/525836106.db2.gz YQPSHYQNIBWNCJ-OAQYLSRUSA-N 0 0 438.484 3.122 50 5 IGBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)ccc1Cl ZINC000020896911 525891838 /nfs/dbraw/zinc/89/18/38/525891838.db2.gz XGUXDOQUHKMIRJ-JTQLQIEISA-N 0 0 442.255 3.490 50 5 IGBARN O=C(OC[C@@H]1CCC(=O)N1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000012554322 526420841 /nfs/dbraw/zinc/42/08/41/526420841.db2.gz SOPMWPRMHFPZLL-IBGZPJMESA-N 0 0 437.496 3.489 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012911370 526694121 /nfs/dbraw/zinc/69/41/21/526694121.db2.gz HSVRTCKSXWRZRQ-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001068491 526968372 /nfs/dbraw/zinc/96/83/72/526968372.db2.gz WIMRRCXJWMGBJG-UHFFFAOYSA-N 0 0 425.363 3.468 50 5 IGBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012795992 526969113 /nfs/dbraw/zinc/96/91/13/526969113.db2.gz QBGLECJBSWDVJA-UHFFFAOYSA-N 0 0 445.497 3.025 50 5 IGBARN Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@@H]1COc2ccccc2O1 ZINC000021179873 527086068 /nfs/dbraw/zinc/08/60/68/527086068.db2.gz BZRJUJXMZXVZSH-KRWDZBQOSA-N 0 0 442.453 3.395 50 5 IGBARN Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000009659606 527171543 /nfs/dbraw/zinc/17/15/43/527171543.db2.gz PNCZAZJQDAQMLX-UHFFFAOYSA-N 0 0 439.815 3.244 50 5 IGBARN O=C(Nc1ccc(I)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/81/41/35/556814135.db2.gz IFNZNFOYKKUHKG-UHFFFAOYSA-N 0 0 428.455 3.236 50 5 IGBARN Cc1ccc(S(=O)(=O)N2N=C3[C@@H]([C@H]2c2cccc([N+](=O)[O-])c2)N2CCC3CC2)cc1 ZINC000096551502 556833874 /nfs/dbraw/zinc/83/38/74/556833874.db2.gz XEZLTTLPPXEMSG-RTWAWAEBSA-N 0 0 426.498 3.099 50 5 IGBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000013941710 556974267 /nfs/dbraw/zinc/97/42/67/556974267.db2.gz CKPKWFAWIXRTBZ-CYBMUJFWSA-N 0 0 428.445 3.373 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732326 556980837 /nfs/dbraw/zinc/98/08/37/556980837.db2.gz DOFNEERPAASDCH-JLGINSKQSA-N 0 0 428.448 3.366 50 5 IGBARN O=C1c2oc3c4ccccc4ccc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1 ZINC000020308782 557006826 /nfs/dbraw/zinc/00/68/26/557006826.db2.gz YPDQGPPKIFTISK-QFIPXVFZSA-N 0 0 441.487 3.219 50 5 IGBARN O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 ZINC000048289177 557054511 /nfs/dbraw/zinc/05/45/11/557054511.db2.gz NMBGHJVOEHLLHQ-FQEVSTJZSA-N 0 0 433.468 3.194 50 5 IGBARN COc1cccc(COCC(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000048331928 557069562 /nfs/dbraw/zinc/06/95/62/557069562.db2.gz UOWFNTARYZUYSN-UHFFFAOYSA-N 0 0 436.468 3.017 50 5 IGBARN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017727625 557112754 /nfs/dbraw/zinc/11/27/54/557112754.db2.gz XNZVMLWRHKTYTQ-TZMCWYRMSA-N 0 0 440.387 3.441 50 5 IGBARN O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581042 557116240 /nfs/dbraw/zinc/11/62/40/557116240.db2.gz OZOOYIVANYTWRP-WMZHIEFXSA-N 0 0 447.491 3.450 50 5 IGBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000024926287 557180044 /nfs/dbraw/zinc/18/00/44/557180044.db2.gz RWRDPFIOPVYAPO-OAQYLSRUSA-N 0 0 441.531 3.172 50 5 IGBARN CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1ccc(C)cn1c2=O ZINC000100846661 557191788 /nfs/dbraw/zinc/19/17/88/557191788.db2.gz 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PPXHTLFNVFVMCL-OLZOCXBDSA-N 0 0 437.440 3.114 50 5 IGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000222208149 557590665 /nfs/dbraw/zinc/59/06/65/557590665.db2.gz DNWBGKPRMMFMNQ-OPAMFIHVSA-N 0 0 445.541 3.459 50 5 IGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000222208198 557591164 /nfs/dbraw/zinc/59/11/64/557591164.db2.gz DNWBGKPRMMFMNQ-KSFYIVLOSA-N 0 0 445.541 3.459 50 5 IGBARN CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000002643836 562929102 /nfs/dbraw/zinc/92/91/02/562929102.db2.gz VZPCKVKNTPAUPC-UHFFFAOYSA-N 0 0 437.817 3.059 50 5 IGBARN CC[C@@H](CO)n1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003305221 562934004 /nfs/dbraw/zinc/93/40/04/562934004.db2.gz WTRVKXYTQSNGDI-HNNXBMFYSA-N 0 0 443.481 3.407 50 5 IGBARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000003415785 562935427 /nfs/dbraw/zinc/93/54/27/562935427.db2.gz IUUGILJCQVHQHU-UHFFFAOYSA-N 0 0 438.278 3.445 50 5 IGBARN COc1ccc(OC)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc21 ZINC000010166336 562978446 /nfs/dbraw/zinc/97/84/46/562978446.db2.gz RZANWMAUNQPFRC-UHFFFAOYSA-N 0 0 434.499 3.246 50 5 IGBARN O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020150132 563023764 /nfs/dbraw/zinc/02/37/64/563023764.db2.gz MLWXFIPSTWMNJP-UHFFFAOYSA-N 0 0 439.903 3.451 50 5 IGBARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000015081871 568637327 /nfs/dbraw/zinc/63/73/27/568637327.db2.gz VDNSIADMGBZOGP-UHFFFAOYSA-N 0 0 447.513 3.260 50 5 IGBARN COc1cccc(OC)c1NC(=O)NC(=O)c1c(OC)c(Cl)cc([N+](=O)[O-])c1OC ZINC000001031375 568653658 /nfs/dbraw/zinc/65/36/58/568653658.db2.gz LPHVNHZHMYUQCS-UHFFFAOYSA-N 0 0 439.808 3.245 50 5 IGBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c3c(cccc31)CC2 ZINC000001142097 568660830 /nfs/dbraw/zinc/66/08/30/568660830.db2.gz LXTXTADTDOCYMX-UHFFFAOYSA-N 0 0 425.466 3.251 50 5 IGBARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001140105 568662087 /nfs/dbraw/zinc/66/20/87/568662087.db2.gz YAZKFSZJUIAXJA-UHFFFAOYSA-N 0 0 425.850 3.359 50 5 IGBARN COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1I ZINC000001150953 568662828 /nfs/dbraw/zinc/66/28/28/568662828.db2.gz OMVFGYWEACDLGZ-UHFFFAOYSA-N 0 0 441.177 3.248 50 5 IGBARN COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000015168963 568731907 /nfs/dbraw/zinc/73/19/07/568731907.db2.gz BOQDGXLETFSVOT-OAQYLSRUSA-N 0 0 448.545 3.103 50 5 IGBARN COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001195500 568736411 /nfs/dbraw/zinc/73/64/11/568736411.db2.gz FTWYZBSCCHBQNX-YCIYHOANSA-N 0 0 426.428 3.480 50 5 IGBARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(CO)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000001187920 568736423 /nfs/dbraw/zinc/73/64/23/568736423.db2.gz ONQSCDNLKPRECB-VUUXHMSQSA-N 0 0 440.455 3.446 50 5 IGBARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003497191 568750140 /nfs/dbraw/zinc/75/01/40/568750140.db2.gz AMRDVLLNYWENRR-UHFFFAOYSA-N 0 0 434.865 3.353 50 5 IGBARN COc1ccc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1F ZINC000025797074 568780399 /nfs/dbraw/zinc/78/03/99/568780399.db2.gz QWVLLWPVOLWXDW-UHFFFAOYSA-N 0 0 436.871 3.152 50 5 IGBARN COc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c([N+](=O)[O-])c1 ZINC000006166744 568849287 /nfs/dbraw/zinc/84/92/87/568849287.db2.gz IDRURECMGBEPAM-UHFFFAOYSA-N 0 0 437.437 3.076 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000015882783 568857393 /nfs/dbraw/zinc/85/73/93/568857393.db2.gz GXFRLKBSNFLXNU-UHFFFAOYSA-N 0 0 426.454 3.012 50 5 IGBARN CCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000006143825 568866214 /nfs/dbraw/zinc/86/62/14/568866214.db2.gz JYHDJDSTVYNKHN-UHFFFAOYSA-N 0 0 445.479 3.424 50 5 IGBARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016044312 568868011 /nfs/dbraw/zinc/86/80/11/568868011.db2.gz CBAYSGRGWZPKNL-UHFFFAOYSA-N 0 0 444.484 3.227 50 5 IGBARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012939621 568868606 /nfs/dbraw/zinc/86/86/06/568868606.db2.gz VJVTVJHOBOGEOZ-KRWDZBQOSA-N 0 0 425.413 3.055 50 5 IGBARN Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000016097258 568870285 /nfs/dbraw/zinc/87/02/85/568870285.db2.gz OCZYTDDQCMPBHU-UHFFFAOYSA-N 0 0 436.453 3.469 50 5 IGBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000026330508 568876843 /nfs/dbraw/zinc/87/68/43/568876843.db2.gz IDWPYTRKHCFMID-UHFFFAOYSA-N 0 0 445.435 3.314 50 5 IGBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000016425122 568896686 /nfs/dbraw/zinc/89/66/86/568896686.db2.gz LEVZBCWMKQDKIG-UHFFFAOYSA-N 0 0 430.848 3.370 50 5 IGBARN COc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000001799331 568907882 /nfs/dbraw/zinc/90/78/82/568907882.db2.gz UVIMENSIINVWHC-UHFFFAOYSA-N 0 0 449.466 3.154 50 5 IGBARN CCOC(=O)c1ccc(NN2C(=O)c3ccc(Br)cc3C2=O)c([N+](=O)[O-])c1 ZINC000006599797 568934722 /nfs/dbraw/zinc/93/47/22/568934722.db2.gz VRKIJSSNAWYUER-UHFFFAOYSA-N 0 0 434.202 3.157 50 5 IGBARN CCOC(=O)C1=C(COc2ccc(OC)cc2)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000036083458 568947053 /nfs/dbraw/zinc/94/70/53/568947053.db2.gz YMIWESSSJOYTGQ-FQEVSTJZSA-N 0 0 441.440 3.196 50 5 IGBARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4CC(C)C)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000064787652 568956261 /nfs/dbraw/zinc/95/62/61/568956261.db2.gz BOSORQVJEKQZJL-MRXNPFEDSA-N 0 0 426.473 3.040 50 5 IGBARN CC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254603 568984779 /nfs/dbraw/zinc/98/47/79/568984779.db2.gz JAOPJANAKHHFGP-NRFANRHFSA-N 0 0 430.549 3.074 50 5 IGBARN O=C(NC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000170606584 569144369 /nfs/dbraw/zinc/14/43/69/569144369.db2.gz BUEFRIQMJWDTHD-UHFFFAOYSA-N 0 0 430.549 3.092 50 5 IGBARN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@@H]3CC(N)=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000089614179 569159798 /nfs/dbraw/zinc/15/97/98/569159798.db2.gz PLQHRZIVONFFIZ-MRXNPFEDSA-N 0 0 446.529 3.247 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3c(F)cccc3F)n2)cc1 ZINC000017094748 569173064 /nfs/dbraw/zinc/17/30/64/569173064.db2.gz NJKCGJVIYOUBDU-UHFFFAOYSA-N 0 0 426.339 3.425 50 5 IGBARN CCc1cc2c(ncn(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2=O)s1 ZINC000017244140 569176188 /nfs/dbraw/zinc/17/61/88/569176188.db2.gz LJYJCOIPRKOMIR-UHFFFAOYSA-N 0 0 427.486 3.303 50 5 IGBARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000002145008 569186297 /nfs/dbraw/zinc/18/62/97/569186297.db2.gz QAUPPVKWEBNZGM-UHFFFAOYSA-N 0 0 449.510 3.457 50 5 IGBARN COc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000027366671 569192760 /nfs/dbraw/zinc/19/27/60/569192760.db2.gz AQWLMDWFOQKRSE-UHFFFAOYSA-N 0 0 439.390 3.350 50 5 IGBARN CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000242389484 569217272 /nfs/dbraw/zinc/21/72/72/569217272.db2.gz ZXNIDVCDTIZJFR-ZACQAIPSSA-N 0 0 425.551 3.267 50 5 IGBARN COc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O ZINC000008875080 569291527 /nfs/dbraw/zinc/29/15/27/569291527.db2.gz KQAOUYIJAJJOTG-UHFFFAOYSA-N 0 0 440.408 3.176 50 5 IGBARN COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008989799 569292734 /nfs/dbraw/zinc/29/27/34/569292734.db2.gz BKTOJQSCXFDTKI-UHFFFAOYSA-N 0 0 447.513 3.166 50 5 IGBARN Cc1cc(C2=CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N ZINC000078966587 569320659 /nfs/dbraw/zinc/32/06/59/569320659.db2.gz OJCBKCVREAEZSO-JOCHJYFZSA-N 0 0 436.512 3.002 50 5 IGBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(C)on1 ZINC000020068448 569333101 /nfs/dbraw/zinc/33/31/01/569333101.db2.gz JNPXQJMPXSZRSD-OAHLLOKOSA-N 0 0 427.866 3.140 50 5 IGBARN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000096010176 569379660 /nfs/dbraw/zinc/37/96/60/569379660.db2.gz FGMXKJBOQNIGBM-OAHLLOKOSA-N 0 0 438.665 3.324 50 5 IGBARN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000096319514 569392271 /nfs/dbraw/zinc/39/22/71/569392271.db2.gz BEQLEQCMELEBAT-KDURUIRLSA-N 0 0 434.404 3.090 50 5 IGBARN Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(CN3CCCCC3)nc21 ZINC000055393757 569404282 /nfs/dbraw/zinc/40/42/82/569404282.db2.gz RKYBRUXGHYZJJC-UHFFFAOYSA-N 0 0 428.536 3.477 50 5 IGBARN O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl ZINC000028294113 569409617 /nfs/dbraw/zinc/40/96/17/569409617.db2.gz GRGSHAQGEIIIQT-NSHDSACASA-N 0 0 445.781 3.095 50 5 IGBARN O=C(NCc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000002748404 569420018 /nfs/dbraw/zinc/42/00/18/569420018.db2.gz WAFGNFHLBSBTHP-UHFFFAOYSA-N 0 0 434.408 3.363 50 5 IGBARN Cc1c(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cccc1[N+](=O)[O-] ZINC000003008998 569435103 /nfs/dbraw/zinc/43/51/03/569435103.db2.gz QQUJUTZMKQFGRR-UHFFFAOYSA-N 0 0 446.872 3.423 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)c(C)c1 ZINC000003009685 569435177 /nfs/dbraw/zinc/43/51/77/569435177.db2.gz SKTWAJPBPKYYNJ-UHFFFAOYSA-N 0 0 440.481 3.386 50 5 IGBARN COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057466753 569435526 /nfs/dbraw/zinc/43/55/26/569435526.db2.gz VBFPNNNUSHVOQL-MRXNPFEDSA-N 0 0 435.484 3.301 50 5 IGBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)Nc1ccc(F)c(F)c1 ZINC000057470953 569435593 /nfs/dbraw/zinc/43/55/93/569435593.db2.gz CXUSLBYRDYQYNN-UHFFFAOYSA-N 0 0 427.411 3.182 50 5 IGBARN O=C(COC(=O)c1ccccc1I)Nc1cc([N+](=O)[O-])ccc1F ZINC000003283324 569443947 /nfs/dbraw/zinc/44/39/47/569443947.db2.gz DTJXWIBLAFUYNP-UHFFFAOYSA-N 0 0 444.156 3.134 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC ZINC000003491672 569452554 /nfs/dbraw/zinc/45/25/54/569452554.db2.gz OEWOXKYFYPDJED-CYBMUJFWSA-N 0 0 432.502 3.223 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(c2ccccc2F)CC1 ZINC000008861206 569479968 /nfs/dbraw/zinc/47/99/68/569479968.db2.gz FSOLFMJCXDACCR-UHFFFAOYSA-N 0 0 433.383 3.354 50 5 IGBARN O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(Cc2cccs2)CC1 ZINC000040023650 569482770 /nfs/dbraw/zinc/48/27/70/569482770.db2.gz LJCRNELAIOUDHJ-UHFFFAOYSA-N 0 0 445.522 3.372 50 5 IGBARN CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)n1 ZINC000040398933 569501266 /nfs/dbraw/zinc/50/12/66/569501266.db2.gz HUKGGLAMBXCHJZ-UHFFFAOYSA-N 0 0 430.493 3.228 50 5 IGBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCCO2 ZINC000009126126 569504789 /nfs/dbraw/zinc/50/47/89/569504789.db2.gz AUQUUIQJNKPTAL-UHFFFAOYSA-N 0 0 441.440 3.152 50 5 IGBARN O=C1C[C@@]2(CON=C2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 ZINC000009304858 569521222 /nfs/dbraw/zinc/52/12/22/569521222.db2.gz NEYQMIFWTGXDQM-SFHVURJKSA-N 0 0 430.214 3.042 50 5 IGBARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 ZINC000009428214 569533499 /nfs/dbraw/zinc/53/34/99/569533499.db2.gz YLKCOEFHBPYNQJ-UHFFFAOYSA-N 0 0 431.832 3.079 50 5 IGBARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])o2)c1 ZINC000009492657 569540630 /nfs/dbraw/zinc/54/06/30/569540630.db2.gz POHDXUSLBXNORE-UHFFFAOYSA-N 0 0 435.487 3.222 50 5 IGBARN O=C(Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCC1 ZINC000009519662 569544310 /nfs/dbraw/zinc/54/43/10/569544310.db2.gz MZIMNHOSVVCGNK-UHFFFAOYSA-N 0 0 427.482 3.146 50 5 IGBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000009597193 569550881 /nfs/dbraw/zinc/55/08/81/569550881.db2.gz SWQXIIVHAJZJRE-INIZCTEOSA-N 0 0 431.792 3.423 50 5 IGBARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])n2)n1 ZINC000009662420 569557145 /nfs/dbraw/zinc/55/71/45/569557145.db2.gz UGXCLVCHLGLGCC-UHFFFAOYSA-N 0 0 447.810 3.380 50 5 IGBARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009806406 569568891 /nfs/dbraw/zinc/56/88/91/569568891.db2.gz SQLAZSQRNJELBG-IBGZPJMESA-N 0 0 431.514 3.103 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000010186762 569578474 /nfs/dbraw/zinc/57/84/74/569578474.db2.gz NWFGWHGKTORLHH-UHFFFAOYSA-N 0 0 440.481 3.402 50 5 IGBARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000010187827 569578684 /nfs/dbraw/zinc/57/86/84/569578684.db2.gz MBCLAGZDEBYSLI-UHFFFAOYSA-N 0 0 436.424 3.024 50 5 IGBARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000009511979 132319944 /nfs/dbraw/zinc/31/99/44/132319944.db2.gz MCWNHSDMMZNLCR-UHFFFAOYSA-N 0 0 432.502 3.088 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 ZINC000009601702 132323062 /nfs/dbraw/zinc/32/30/62/132323062.db2.gz PFNODJUWNZGABE-UHFFFAOYSA-N 0 0 444.557 3.404 50 5 IGBARN CCCOC(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000010059859 132334478 /nfs/dbraw/zinc/33/44/78/132334478.db2.gz LSUOLFVUUXKMLQ-UHFFFAOYSA-N 0 0 443.456 3.259 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000020740072 520585418 /nfs/dbraw/zinc/58/54/18/520585418.db2.gz VUWJJSGLFGMJAT-QGTPRVQTSA-N 0 0 443.500 3.300 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000020740067 520585837 /nfs/dbraw/zinc/58/58/37/520585837.db2.gz VUWJJSGLFGMJAT-OLMNPRSZSA-N 0 0 443.500 3.300 50 5 IGBARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000040105213 520820761 /nfs/dbraw/zinc/82/07/61/520820761.db2.gz KTIOFOTYEOCPLM-UHFFFAOYSA-N 0 0 443.485 3.063 50 5 IGBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cc(Cl)ccc3OC)C[C@H]12 ZINC000035870378 521747108 /nfs/dbraw/zinc/74/71/08/521747108.db2.gz HEJUSBYOZKGKKY-FXAWDEMLSA-N 0 0 444.919 3.260 50 5 IGBARN COc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012792529 522067946 /nfs/dbraw/zinc/06/79/46/522067946.db2.gz XLFKDWCXBYUGAX-UHFFFAOYSA-N 0 0 433.848 3.387 50 5 IGBARN COCc1cc(C)nc2sc3c(nc(-c4ccccc4[N+](=O)[O-])n(CCO)c3=O)c21 ZINC000012445638 522919427 /nfs/dbraw/zinc/91/94/27/522919427.db2.gz KFOIIIXMUZMBJU-UHFFFAOYSA-N 0 0 426.454 3.029 50 5 IGBARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000012522094 524489216 /nfs/dbraw/zinc/48/92/16/524489216.db2.gz OGSIIPAXEPHMBU-UHFFFAOYSA-N 0 0 426.473 3.304 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c([N+](=O)[O-])c1 ZINC000012173482 524512830 /nfs/dbraw/zinc/51/28/30/524512830.db2.gz XDQOWJPIGFFHOA-UHFFFAOYSA-N 0 0 446.441 3.401 50 5 IGBARN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021129668 525890827 /nfs/dbraw/zinc/89/08/27/525890827.db2.gz FQOQHJRKENRZNZ-NEPJUHHUSA-N 0 0 449.822 3.311 50 5 IGBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000014900819 526516476 /nfs/dbraw/zinc/51/64/76/526516476.db2.gz VNSIKXQCISKAEG-UHFFFAOYSA-N 0 0 438.440 3.254 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012999615 526693183 /nfs/dbraw/zinc/69/31/83/526693183.db2.gz CCNDXKSFGGGLFB-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000024348902 526709598 /nfs/dbraw/zinc/70/95/98/526709598.db2.gz GNCPDTMTTDHKEV-UHFFFAOYSA-N 0 0 443.419 3.298 50 5 IGBARN O=C(NCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000020663900 526738783 /nfs/dbraw/zinc/73/87/83/526738783.db2.gz WOJVHRFOBIVKSP-QUCCMNQESA-N 0 0 444.491 3.310 50 5 IGBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012918130 526945934 /nfs/dbraw/zinc/94/59/34/526945934.db2.gz ONUFOQFQAOCBAY-UHFFFAOYSA-N 0 0 425.819 3.250 50 5 IGBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 ZINC000012795127 526996005 /nfs/dbraw/zinc/99/60/05/526996005.db2.gz QYJCNUJJHFORIB-UHFFFAOYSA-N 0 0 445.497 3.025 50 5 IGBARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012854983 527112750 /nfs/dbraw/zinc/11/27/50/527112750.db2.gz ZCQKYMPYPAEPDK-UHFFFAOYSA-N 0 0 446.891 3.174 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1COc2ccccc2O1 ZINC000012565864 527339675 /nfs/dbraw/zinc/33/96/75/527339675.db2.gz KKEBTUCWFAQFFL-INIZCTEOSA-N 0 0 447.513 3.411 50 5 IGBARN O=C(N/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1)c1ccccc1 ZINC000015685035 527434290 /nfs/dbraw/zinc/43/42/90/527434290.db2.gz PISMNRKRNVADFO-PGMHBOJBSA-N 0 0 447.447 3.485 50 5 IGBARN O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@@H]12 ZINC000035894583 527516651 /nfs/dbraw/zinc/51/66/51/527516651.db2.gz TVLGBKIXAHXMPD-UNMCSNQZSA-N 0 0 435.528 3.306 50 5 IGBARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 ZINC000010978275 535409550 /nfs/dbraw/zinc/40/95/50/535409550.db2.gz MBAGCIAINBITGC-MRXNPFEDSA-N 0 0 440.500 3.153 50 5 IGBARN Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000229916825 556406600 /nfs/dbraw/zinc/40/66/00/556406600.db2.gz IKDDKLDLWXZRND-PWRODBHTSA-N 0 0 430.420 3.349 50 5 IGBARN COC(=O)c1c(C(=O)OC)c2c3ccccc3cnn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000004543071 556431739 /nfs/dbraw/zinc/43/17/39/556431739.db2.gz CDUNMNRTHDYLJT-UHFFFAOYSA-N 0 0 433.376 3.200 50 5 IGBARN COc1cc(CCNC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])cc1OC ZINC000032862554 556448029 /nfs/dbraw/zinc/44/80/29/556448029.db2.gz WQGAIMCAGFYKTR-OAHLLOKOSA-N 0 0 439.472 3.401 50 5 IGBARN C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1 ZINC000032898823 556516896 /nfs/dbraw/zinc/51/68/96/556516896.db2.gz LUOGZPIWIARORL-INIZCTEOSA-N 0 0 426.521 3.421 50 5 IGBARN COC(=O)c1sc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC000015549131 556534432 /nfs/dbraw/zinc/53/44/32/556534432.db2.gz YIZWUJRAGIRCCQ-GFCCVEGCSA-N 0 0 449.485 3.169 50 5 IGBARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000032967204 556587456 /nfs/dbraw/zinc/58/74/56/556587456.db2.gz ZFUORKSNVCRVHV-GOSISDBHSA-N 0 0 428.441 3.223 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@@](=O)C3)cc1 ZINC000011726343 556648810 /nfs/dbraw/zinc/64/88/10/556648810.db2.gz PAHRZNKFQXBLNQ-PMERELPUSA-N 0 0 426.454 3.112 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000013607166 556701116 /nfs/dbraw/zinc/70/11/16/556701116.db2.gz XTYQJDDJSCXYNN-QATBIIFWSA-N 0 0 428.448 3.366 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013847405 556745883 /nfs/dbraw/zinc/74/58/83/556745883.db2.gz IWMGYTLYQCDTQJ-UHFFFAOYSA-N 0 0 441.893 3.442 50 5 IGBARN Cc1c(Cl)cccc1NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000003261907 556807455 /nfs/dbraw/zinc/80/74/55/556807455.db2.gz CHMUWKSILLWCNM-UHFFFAOYSA-N 0 0 440.239 3.122 50 5 IGBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000062581958 556838159 /nfs/dbraw/zinc/83/81/59/556838159.db2.gz HBFBBAPYENOHQK-OAHLLOKOSA-N 0 0 442.877 3.230 50 5 IGBARN Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000022998188 556838840 /nfs/dbraw/zinc/83/88/40/556838840.db2.gz WIAPZRVVLZANJN-UHFFFAOYSA-N 0 0 426.498 3.492 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)N2CCOCC2)c1 ZINC000023108197 557002462 /nfs/dbraw/zinc/00/24/62/557002462.db2.gz URUZWOAUMSPUCM-JOCHJYFZSA-N 0 0 441.509 3.100 50 5 IGBARN O=C(/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000097998760 557005828 /nfs/dbraw/zinc/00/58/28/557005828.db2.gz FVUSXLKJAOLPAH-SREVYHEPSA-N 0 0 437.452 3.352 50 5 IGBARN Cc1ccc(CNC(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1F ZINC000048289364 557054343 /nfs/dbraw/zinc/05/43/43/557054343.db2.gz XLQIIHHBZQXJRG-UHFFFAOYSA-N 0 0 425.464 3.378 50 5 IGBARN COCCNc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] ZINC000010904921 557086968 /nfs/dbraw/zinc/08/69/68/557086968.db2.gz DBQQXBYVSANXBU-UHFFFAOYSA-N 0 0 437.500 3.445 50 5 IGBARN CC(C)OCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O ZINC000101088467 557237174 /nfs/dbraw/zinc/23/71/74/557237174.db2.gz LBRFUZMPWIQGPZ-UHFFFAOYSA-N 0 0 437.544 3.006 50 5 IGBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(N2CCOCC2)cc1 ZINC000018209558 557251756 /nfs/dbraw/zinc/25/17/56/557251756.db2.gz YHCOTRTWADYVGB-UHFFFAOYSA-N 0 0 441.469 3.212 50 5 IGBARN CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)O[C@H](C)C2 ZINC000018238385 557253704 /nfs/dbraw/zinc/25/37/04/557253704.db2.gz ZWEVSLYNQNDOIR-CQSZACIVSA-N 0 0 427.457 3.406 50 5 IGBARN CCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101158113 557283829 /nfs/dbraw/zinc/28/38/29/557283829.db2.gz AOSVPMWPESGQOU-UHFFFAOYSA-N 0 0 445.523 3.176 50 5 IGBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3cccc4cccnc43)CC2)c1C ZINC000014167554 557312700 /nfs/dbraw/zinc/31/27/00/557312700.db2.gz NTNDHZUEMAMALG-UHFFFAOYSA-N 0 0 440.525 3.266 50 5 IGBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000033529453 557408263 /nfs/dbraw/zinc/40/82/63/557408263.db2.gz SZOZUWOYHZMVLT-GHXNOFRVSA-N 0 0 427.438 3.318 50 5 IGBARN COc1ccc(-n2c(O)c3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccccc4)c3c2O)cc1 ZINC000103618332 557439286 /nfs/dbraw/zinc/43/92/86/557439286.db2.gz ZQUYTOZKARLXOD-RBBKRZOGSA-N 0 0 442.431 3.386 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000103999951 557447218 /nfs/dbraw/zinc/44/72/18/557447218.db2.gz VXWNHYQXRDWVHF-HOCLYGCPSA-N 0 0 436.207 3.203 50 5 IGBARN CN1OC[C@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000105049166 557474033 /nfs/dbraw/zinc/47/40/33/557474033.db2.gz XHOIVMYTQUIHTM-IRXDYDNUSA-N 0 0 445.419 3.020 50 5 IGBARN COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675641 557840762 /nfs/dbraw/zinc/84/07/62/557840762.db2.gz WNBJAMWCYHOYNO-UHFFFAOYSA-N 0 0 443.500 3.256 50 5 IGBARN CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000003991693 562940461 /nfs/dbraw/zinc/94/04/61/562940461.db2.gz YVXVTLGIDOACBJ-SFHVURJKSA-N 0 0 441.362 3.341 50 5 in-vivo IGBARN COc1ccc(OCCN2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000025169283 568646775 /nfs/dbraw/zinc/64/67/75/568646775.db2.gz GIDOGLBFTZVNQE-QGZVFWFLSA-N 0 0 445.541 3.307 50 5 IGBARN COC(=O)COc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000000979788 568647491 /nfs/dbraw/zinc/64/74/91/568647491.db2.gz HLYMTRUDLJRPMN-YVLHZVERSA-N 0 0 428.422 3.383 50 5 IGBARN Cc1ccc(S(=O)(=O)N2N=C3[C@H]([C@@H]2c2cccc([N+](=O)[O-])c2)N2CCC3CC2)cc1 ZINC000000975409 568648045 /nfs/dbraw/zinc/64/80/45/568648045.db2.gz XEZLTTLPPXEMSG-LEWJYISDSA-N 0 0 426.498 3.099 50 5 IGBARN COc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 ZINC000001131975 568661515 /nfs/dbraw/zinc/66/15/15/568661515.db2.gz ZMJPHVPTNKVXKI-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001135841 568661741 /nfs/dbraw/zinc/66/17/41/568661741.db2.gz SZWURIQYXWMDMA-UHFFFAOYSA-N 0 0 439.493 3.297 50 5 IGBARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 ZINC000001194249 568736442 /nfs/dbraw/zinc/73/64/42/568736442.db2.gz GAAXVYQNQCFKBA-NFJKTXFASA-N 0 0 426.428 3.480 50 5 IGBARN COc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)N2CCCC2)cc1 ZINC000015329330 568758338 /nfs/dbraw/zinc/75/83/38/568758338.db2.gz KPMKGHIOYJBXKM-HXUWFJFHSA-N 0 0 433.530 3.336 50 5 IGBARN CN(C)c1nc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2o1 ZINC000083855449 568783469 /nfs/dbraw/zinc/78/34/69/568783469.db2.gz XGNCKPRAYZHYOO-UHFFFAOYSA-N 0 0 425.401 3.129 50 5 IGBARN COC(=O)c1sc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC000015549130 568797974 /nfs/dbraw/zinc/79/79/74/568797974.db2.gz YIZWUJRAGIRCCQ-LBPRGKRZSA-N 0 0 449.485 3.169 50 5 IGBARN Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2n1 ZINC000015783904 568826599 /nfs/dbraw/zinc/82/65/99/568826599.db2.gz BFVUSSMJRCYLFT-UHFFFAOYSA-N 0 0 443.510 3.195 50 5 IGBARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nn1 ZINC000015880864 568854435 /nfs/dbraw/zinc/85/44/35/568854435.db2.gz FHDATGCYPBUTBV-UHFFFAOYSA-N 0 0 432.845 3.361 50 5 IGBARN CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000015971254 568860981 /nfs/dbraw/zinc/86/09/81/568860981.db2.gz MCWBHPUGSASSAT-ZHRMCQFGSA-N 0 0 428.448 3.366 50 5 IGBARN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016043634 568867970 /nfs/dbraw/zinc/86/79/70/568867970.db2.gz YYWUOLOHZNUJHD-UHFFFAOYSA-N 0 0 433.306 3.114 50 5 IGBARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCCCO)cc1 ZINC000016115223 568870736 /nfs/dbraw/zinc/87/07/36/568870736.db2.gz APCRMCMJVIQNCT-LTGZKZEYSA-N 0 0 441.484 3.043 50 5 IGBARN CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000016517476 568920396 /nfs/dbraw/zinc/92/03/96/568920396.db2.gz CXISVQUPCLWKQZ-IBGZPJMESA-N 0 0 425.397 3.432 50 5 IGBARN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002062928 568941192 /nfs/dbraw/zinc/94/11/92/568941192.db2.gz XUPLMKIBTIVBJO-UHFFFAOYSA-N 0 0 432.483 3.023 50 5 IGBARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000036083464 568947227 /nfs/dbraw/zinc/94/72/27/568947227.db2.gz UAJGWXYZGIMYAM-IBGZPJMESA-N 0 0 429.404 3.326 50 5 IGBARN C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250294 568983749 /nfs/dbraw/zinc/98/37/49/568983749.db2.gz FFBHTSOBLBZCSQ-GCJKJVERSA-N 0 0 442.560 3.312 50 5 IGBARN COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000010219291 569153750 /nfs/dbraw/zinc/15/37/50/569153750.db2.gz JOJLDYISUMFILE-UHFFFAOYSA-N 0 0 433.467 3.139 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc([N+](=O)[O-])n1)C[C@H](C(C)(C)C)CC2 ZINC000002081464 569177240 /nfs/dbraw/zinc/17/72/40/569177240.db2.gz WJEXOVQBBJSHOX-LLVKDONJSA-N 0 0 435.506 3.214 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002146923 569186978 /nfs/dbraw/zinc/18/69/78/569186978.db2.gz MHXRDIPADVDYNS-NZQKXSOJSA-N 0 0 432.480 3.417 50 5 IGBARN O=[N+]([O-])c1cnc(N2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)c(Br)c1 ZINC000241121785 569197835 /nfs/dbraw/zinc/19/78/35/569197835.db2.gz JDVVPZPRODWATK-CQSZACIVSA-N 0 0 432.234 3.380 50 5 IGBARN Cc1ccc2nc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cn2c1 ZINC000253415391 569266305 /nfs/dbraw/zinc/26/63/05/569266305.db2.gz XIDVVPYKGSDFQG-UHFFFAOYSA-N 0 0 429.502 3.338 50 5 IGBARN COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000027670907 569289402 /nfs/dbraw/zinc/28/94/02/569289402.db2.gz KEDRABYZABKPHS-HXUWFJFHSA-N 0 0 431.514 3.129 50 5 IGBARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000009426758 569296060 /nfs/dbraw/zinc/29/60/60/569296060.db2.gz OPOFVIVAYAVKIS-UHFFFAOYSA-N 0 0 439.497 3.442 50 5 IGBARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C ZINC000009698969 569297720 /nfs/dbraw/zinc/29/77/20/569297720.db2.gz FLTRRAWLXOYBEP-UHFFFAOYSA-N 0 0 439.497 3.496 50 5 IGBARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000009846602 569298237 /nfs/dbraw/zinc/29/82/37/569298237.db2.gz ALZCEBDACOHEDU-LJQANCHMSA-N 0 0 436.428 3.131 50 5 IGBARN CC(C)CCn1cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1 ZINC000013102746 569309695 /nfs/dbraw/zinc/30/96/95/569309695.db2.gz VXPNYJJWNZSOEU-UHFFFAOYSA-N 0 0 447.495 3.411 50 5 IGBARN COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000020229746 569356965 /nfs/dbraw/zinc/35/69/65/569356965.db2.gz MFHXMQDAAXIJGR-UHFFFAOYSA-N 0 0 435.488 3.041 50 5 IGBARN Nn1c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1-c1cccc(Br)c1 ZINC000020436962 569365271 /nfs/dbraw/zinc/36/52/71/569365271.db2.gz WPTCLDGDQIXECP-UHFFFAOYSA-N 0 0 446.290 3.498 50 5 IGBARN O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000095428049 569366196 /nfs/dbraw/zinc/36/61/96/569366196.db2.gz OZFCIDUXIGCZSO-UHFFFAOYSA-N 0 0 443.525 3.024 50 5 IGBARN CN(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002474915 569404391 /nfs/dbraw/zinc/40/43/91/569404391.db2.gz SEGKGUPMPWOOGE-UHFFFAOYSA-N 0 0 432.483 3.202 50 5 IGBARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000002720955 569418068 /nfs/dbraw/zinc/41/80/68/569418068.db2.gz OFVYFOQPSGUJLL-UHFFFAOYSA-N 0 0 449.492 3.490 50 5 IGBARN O=C(NCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002746515 569419943 /nfs/dbraw/zinc/41/99/43/569419943.db2.gz OWEMGEJLWNOHEB-UHFFFAOYSA-N 0 0 434.408 3.363 50 5 IGBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002752691 569420233 /nfs/dbraw/zinc/42/02/33/569420233.db2.gz SYIDTIMDSKCUOZ-UHFFFAOYSA-N 0 0 430.270 3.351 50 5 IGBARN CCOC(=O)c1sc2ncn3nc([C@@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C ZINC000002790323 569421816 /nfs/dbraw/zinc/42/18/16/569421816.db2.gz CKKCCWNTECEYOB-LLVKDONJSA-N 0 0 429.462 3.155 50 5 IGBARN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2N)cc1[N+](=O)[O-] ZINC000002863264 569423635 /nfs/dbraw/zinc/42/36/35/569423635.db2.gz LOKWPQTXDJYDCI-UHFFFAOYSA-N 0 0 442.501 3.135 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CS(=O)(=O)C3)c(C)c1 ZINC000003009659 569435140 /nfs/dbraw/zinc/43/51/40/569435140.db2.gz VVVOTZZVJYQRQZ-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CS(=O)(=O)C3)c(C)c1 ZINC000003009687 569435148 /nfs/dbraw/zinc/43/51/48/569435148.db2.gz RYKWOUVLSAPLCK-UHFFFAOYSA-N 0 0 440.481 3.386 50 5 IGBARN CCN(CC)C(=O)CSc1ccc(C(=O)NCc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000003019749 569435559 /nfs/dbraw/zinc/43/55/59/569435559.db2.gz QYQSEUUHKTZCSS-UHFFFAOYSA-N 0 0 431.514 3.494 50 5 IGBARN CCOc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057477877 569435778 /nfs/dbraw/zinc/43/57/78/569435778.db2.gz SLDVTSQVGVDDNZ-UHFFFAOYSA-N 0 0 435.484 3.302 50 5 IGBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000003302172 569444961 /nfs/dbraw/zinc/44/49/61/569444961.db2.gz VXKAUZXOXUREJR-UHFFFAOYSA-N 0 0 434.411 3.045 50 5 IGBARN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1 ZINC000058018738 569445000 /nfs/dbraw/zinc/44/50/00/569445000.db2.gz KSNHFRUGZBCMHG-UHFFFAOYSA-N 0 0 433.273 3.002 50 5 IGBARN CCN(C(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003360010 569447808 /nfs/dbraw/zinc/44/78/08/569447808.db2.gz LQFHTQPFXCJWSQ-UHFFFAOYSA-N 0 0 441.469 3.084 50 5 IGBARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000058175069 569449609 /nfs/dbraw/zinc/44/96/09/569449609.db2.gz YJOQXYTWKPCNID-UHFFFAOYSA-N 0 0 442.426 3.033 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000058305050 569452710 /nfs/dbraw/zinc/45/27/10/569452710.db2.gz OOIUVNOZHJFVLB-ZDUSSCGKSA-N 0 0 429.351 3.184 50 5 IGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000008868266 569480352 /nfs/dbraw/zinc/48/03/52/569480352.db2.gz NAZNEZJZKGBRBN-HNNXBMFYSA-N 0 0 442.877 3.230 50 5 IGBARN CC1CCN(S(=O)(=O)c2ccc(Nc3cnn(C[C@H]4CCCO4)c3)c([N+](=O)[O-])c2)CC1 ZINC000040139266 569490849 /nfs/dbraw/zinc/49/08/49/569490849.db2.gz NZAWZNAKZDYQAT-QGZVFWFLSA-N 0 0 449.533 3.135 50 5 IGBARN CN1C2=C(C(=O)N(c3ccc([N+](=O)[O-])cc3)C2)[C@@H](c2ccc(Br)cc2)NC1=O ZINC000008969324 569491941 /nfs/dbraw/zinc/49/19/41/569491941.db2.gz FASZGFVWLROGRC-QGZVFWFLSA-N 0 0 443.257 3.354 50 5 IGBARN CN1C2=C(C(=O)N(c3ccc([N+](=O)[O-])cc3)C2)[C@H](c2ccc(Br)cc2)NC1=O ZINC000008969321 569491944 /nfs/dbraw/zinc/49/19/44/569491944.db2.gz FASZGFVWLROGRC-KRWDZBQOSA-N 0 0 443.257 3.354 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000008980925 569494395 /nfs/dbraw/zinc/49/43/95/569494395.db2.gz HSPCARNPVFWFKZ-YLJYHZDGSA-N 0 0 449.573 3.485 50 5 IGBARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000009119442 569503535 /nfs/dbraw/zinc/50/35/35/569503535.db2.gz BMEOUVDAGGFPRW-MRXNPFEDSA-N 0 0 425.441 3.000 50 5 IGBARN COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000009128844 569505530 /nfs/dbraw/zinc/50/55/30/569505530.db2.gz HCMRJLJVRLCCAK-UHFFFAOYSA-N 0 0 434.865 3.492 50 5 IGBARN O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000009190662 569510564 /nfs/dbraw/zinc/51/05/64/569510564.db2.gz KRTBOMGLVDGKMS-XMMPIXPASA-N 0 0 446.415 3.331 50 5 IGBARN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)n1 ZINC000009234287 569514024 /nfs/dbraw/zinc/51/40/24/569514024.db2.gz ARQCTSGZTDGSCV-XUEUYAKLSA-N 0 0 428.489 3.328 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000009364651 569526085 /nfs/dbraw/zinc/52/60/85/569526085.db2.gz KTXVZZDQNMVRML-UHFFFAOYSA-N 0 0 445.482 3.438 50 5 IGBARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000009415556 569532230 /nfs/dbraw/zinc/53/22/30/569532230.db2.gz AHJNMUJCZNRUGH-UHFFFAOYSA-N 0 0 427.438 3.300 50 5 IGBARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000009540032 569545741 /nfs/dbraw/zinc/54/57/41/569545741.db2.gz MGBMZIQXQYZTJF-IBGZPJMESA-N 0 0 426.429 3.269 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nn1 ZINC000009787090 569567922 /nfs/dbraw/zinc/56/79/22/569567922.db2.gz AWJMFOADFCWARP-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000010186665 569578432 /nfs/dbraw/zinc/57/84/32/569578432.db2.gz PPLZRFXXZODRBO-UHFFFAOYSA-N 0 0 436.493 3.449 50 5 IGBARN O=C(CSc1nc(=O)n(Cc2cccs2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000010186755 569578476 /nfs/dbraw/zinc/57/84/76/569578476.db2.gz LVKZAYAOPRDALR-UHFFFAOYSA-N 0 0 442.522 3.481 50 5 IGBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000010452482 569582316 /nfs/dbraw/zinc/58/23/16/569582316.db2.gz HVZUSDZDWFBFOV-UHFFFAOYSA-N 0 0 427.438 3.300 50 5 IGBARN CC(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000009117688 132226775 /nfs/dbraw/zinc/22/67/75/132226775.db2.gz NPHYXUDWEPCUER-UHFFFAOYSA-N 0 0 431.514 3.381 50 5 IGBARN CCc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])cc(OC)c4oc3=O)CC2)cc1 ZINC000001421075 132245187 /nfs/dbraw/zinc/24/51/87/132245187.db2.gz HGTMBDACTGEOFN-UHFFFAOYSA-N 0 0 437.452 3.235 50 5 IGBARN CC(C)c1nn2c(nc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)cc2=O)s1 ZINC000005945208 132275737 /nfs/dbraw/zinc/27/57/37/132275737.db2.gz VMCJFJKPMJRAIG-UHFFFAOYSA-N 0 0 434.909 3.163 50 5 IGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@@H]4CCCO4)c3)CC2)cc1 ZINC000009197222 132308250 /nfs/dbraw/zinc/30/82/50/132308250.db2.gz WISBTPVIQNFPNZ-FQEVSTJZSA-N 0 0 440.500 3.157 50 5 IGBARN COc1ccccc1N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1 ZINC000009475123 132318928 /nfs/dbraw/zinc/31/89/28/132318928.db2.gz VMRBGLHHOYTKMZ-UHFFFAOYSA-N 0 0 448.910 3.472 50 5 IGBARN COc1ccc(NC(=O)/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])c1 ZINC000009562896 132321701 /nfs/dbraw/zinc/32/17/01/132321701.db2.gz ZVLCAJGERAVLRL-MDZDMXLPSA-N 0 0 438.484 3.064 50 5 IGBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@H](C)O1 ZINC000013777439 132354562 /nfs/dbraw/zinc/35/45/62/132354562.db2.gz SLBGURDKOXNUOG-IYBDPMFKSA-N 0 0 426.521 3.040 50 5 IGBARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000013946252 132355552 /nfs/dbraw/zinc/35/55/52/132355552.db2.gz CTHANTGFMKMBAH-UHFFFAOYSA-N 0 0 440.500 3.307 50 5 IGBARN CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000020935198 518827605 /nfs/dbraw/zinc/82/76/05/518827605.db2.gz GIRQYEDKHJVVCQ-UHFFFAOYSA-N 0 0 446.426 3.177 50 5 IGBARN CC(C)CN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035766897 519709878 /nfs/dbraw/zinc/70/98/78/519709878.db2.gz PGAONAAAWLSALE-OAQYLSRUSA-N 0 0 443.500 3.494 50 5 IGBARN CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000012764536 519797122 /nfs/dbraw/zinc/79/71/22/519797122.db2.gz MDWDVSYXGYPJOI-HXUWFJFHSA-N 0 0 447.875 3.263 50 5 IGBARN CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N21 ZINC000012411601 520569394 /nfs/dbraw/zinc/56/93/94/520569394.db2.gz BTSRRGSWKWPTFT-HNNXBMFYSA-N 0 0 431.396 3.006 50 5 IGBARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947203 521739098 /nfs/dbraw/zinc/73/90/98/521739098.db2.gz CIDJQHRTALLZEW-IBGZPJMESA-N 0 0 427.436 3.073 50 5 IGBARN COC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000012655671 521892267 /nfs/dbraw/zinc/89/22/67/521892267.db2.gz NXROPNCVMCQLTK-UHFFFAOYSA-N 0 0 441.440 3.411 50 5 IGBARN COC(=O)c1sc(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])c(C(=O)OC)c1C ZINC000016346029 522428974 /nfs/dbraw/zinc/42/89/74/522428974.db2.gz NHUGOJANMXHIMD-UHFFFAOYSA-N 0 0 427.435 3.486 50 5 IGBARN COc1ccc(Nc2nc(O)c(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])s2)cc1 ZINC000012786539 524675310 /nfs/dbraw/zinc/67/53/10/524675310.db2.gz HYEXMEBSGVONPU-MRXNPFEDSA-N 0 0 430.442 3.051 50 5 IGBARN Cc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000020848675 524924331 /nfs/dbraw/zinc/92/43/31/524924331.db2.gz PSPFFYYWYGHNQE-MSOLQXFVSA-N 0 0 435.889 3.164 50 5 IGBARN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1S(=O)(=O)N(C)C ZINC000012595691 525028627 /nfs/dbraw/zinc/02/86/27/525028627.db2.gz WDSZUQOQNCTCQT-UHFFFAOYSA-N 0 0 446.529 3.009 50 5 IGBARN Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000009662956 525239296 /nfs/dbraw/zinc/23/92/96/525239296.db2.gz IKFUQDZCPYNAPW-UHFFFAOYSA-N 0 0 446.529 3.396 50 5 IGBARN C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022024849 525890925 /nfs/dbraw/zinc/89/09/25/525890925.db2.gz MZTSYDOMEBPGFN-HNNXBMFYSA-N 0 0 431.876 3.138 50 5 IGBARN Cc1ccc([C@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000035306360 525971702 /nfs/dbraw/zinc/97/17/02/525971702.db2.gz NJQVJOBMOJSXLV-QFIPXVFZSA-N 0 0 444.557 3.403 50 5 IGBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000024320613 526338656 /nfs/dbraw/zinc/33/86/56/526338656.db2.gz MGYHHCJWSOYELW-UHFFFAOYSA-N 0 0 444.447 3.233 50 5 IGBARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012758868 526694123 /nfs/dbraw/zinc/69/41/23/526694123.db2.gz YEQYWPMFTFQFCF-UHFFFAOYSA-N 0 0 437.905 3.353 50 5 IGBARN O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020479893 526939388 /nfs/dbraw/zinc/93/93/88/526939388.db2.gz XCRJVODMIMWWQL-UHFFFAOYSA-N 0 0 428.470 3.177 50 5 IGBARN O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012563748 527367278 /nfs/dbraw/zinc/36/72/78/527367278.db2.gz AFHNCAIIIYGZON-UHFFFAOYSA-N 0 0 445.419 3.247 50 5 IGBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 ZINC000012374749 527372038 /nfs/dbraw/zinc/37/20/38/527372038.db2.gz PTIMOKGNLWLOKU-UHFFFAOYSA-N 0 0 438.375 3.198 50 5 IGBARN O=C(NC(=S)Nc1cccc2ncccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012855066 527462801 /nfs/dbraw/zinc/46/28/01/527462801.db2.gz JZXMGWCMCHDUJQ-UHFFFAOYSA-N 0 0 437.481 3.106 50 5 IGBARN Nc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000014322928 527550855 /nfs/dbraw/zinc/55/08/55/527550855.db2.gz XBJDBQFZVHVWIS-UHFFFAOYSA-N 0 0 432.406 3.461 50 5 IGBARN CCCCc1noc([C@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])n1 ZINC000032761055 556325648 /nfs/dbraw/zinc/32/56/48/556325648.db2.gz DAFJQIWGFUSCNS-ZDUSSCGKSA-N 0 0 426.495 3.491 50 5 IGBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(N(CCO)Cc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000072272757 556447121 /nfs/dbraw/zinc/44/71/21/556447121.db2.gz MSZYVMVPJWXXSJ-KRWDZBQOSA-N 0 0 433.530 3.014 50 5 IGBARN O=C(CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000015109517 556504989 /nfs/dbraw/zinc/50/49/89/556504989.db2.gz UWQWAPGUQNXHOL-NEPJUHHUSA-N 0 0 437.283 3.121 50 5 IGBARN CN([C@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072307441 556562606 /nfs/dbraw/zinc/56/26/06/556562606.db2.gz YOTXBSVUDPEQNC-LJQANCHMSA-N 0 0 435.502 3.039 50 5 IGBARN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000072310209 556579341 /nfs/dbraw/zinc/57/93/41/556579341.db2.gz PPXHTLFNVFVMCL-CHWSQXEVSA-N 0 0 437.440 3.114 50 5 IGBARN COc1ccc(C(=O)NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000072311522 556586592 /nfs/dbraw/zinc/58/65/92/556586592.db2.gz XEYDOCHTGUOCIF-ZDUSSCGKSA-N 0 0 428.363 3.083 50 5 IGBARN O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1nc(SCc2ccccc2)n[nH]1 ZINC000040398951 556641243 /nfs/dbraw/zinc/64/12/43/556641243.db2.gz ANGGBXGKCJXWNI-UHFFFAOYSA-N 0 0 442.504 3.446 50 5 IGBARN C[C@@H](OC(=O)c1cnn2c1nccc2-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032922093 556647711 /nfs/dbraw/zinc/64/77/11/556647711.db2.gz DNXAHIMKGKZKHO-CQSZACIVSA-N 0 0 431.408 3.489 50 5 IGBARN CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccccc1 ZINC000252670825 556694135 /nfs/dbraw/zinc/69/41/35/556694135.db2.gz LTQFZFLZKDTJCC-UHFFFAOYSA-N 0 0 444.491 3.285 50 5 IGBARN CC(C)COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000013598733 556701422 /nfs/dbraw/zinc/70/14/22/556701422.db2.gz FSIMUIITLVUBGL-SRYPRDQNSA-N 0 0 449.500 3.033 50 5 IGBARN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000013624262 556703715 /nfs/dbraw/zinc/70/37/15/556703715.db2.gz KLVCZFCNRQZKKU-MEKIYTOJSA-N 0 0 428.448 3.366 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000013659489 556707748 /nfs/dbraw/zinc/70/77/48/556707748.db2.gz WBDAZJPYKCQBNH-QHAWAJNXSA-N 0 0 431.404 3.352 50 5 IGBARN Cc1nn2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc3c2nc1=O ZINC000058046951 556755093 /nfs/dbraw/zinc/75/50/93/556755093.db2.gz GYXKRLHNLGDYLY-UHFFFAOYSA-N 0 0 425.901 3.008 50 5 IGBARN Cc1ccc(S(=O)(=O)N2N=C3[C@@H]([C@@H]2c2cccc([N+](=O)[O-])c2)N2CCC3CC2)cc1 ZINC000096551503 556833809 /nfs/dbraw/zinc/83/38/09/556833809.db2.gz XEZLTTLPPXEMSG-SFTDATJTSA-N 0 0 426.498 3.099 50 5 IGBARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCNc1ncccn1 ZINC000048309800 557060248 /nfs/dbraw/zinc/06/02/48/557060248.db2.gz LWZAVAXQNDXSGP-UHFFFAOYSA-N 0 0 443.467 3.008 50 5 IGBARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000048301941 557063013 /nfs/dbraw/zinc/06/30/13/557063013.db2.gz RPUMGUGMVWJYFG-UHFFFAOYSA-N 0 0 429.427 3.446 50 5 IGBARN O=C(Nc1cccc(OCc2ccccn2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000048368781 557075676 /nfs/dbraw/zinc/07/56/76/557075676.db2.gz FAFBWNJNXSIDIU-UHFFFAOYSA-N 0 0 434.456 3.318 50 5 IGBARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1 ZINC000004756148 557076538 /nfs/dbraw/zinc/07/65/38/557076538.db2.gz RSFCSKCMOXDYBP-HKWRFOASSA-N 0 0 425.485 3.162 50 5 IGBARN COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000669883 557130633 /nfs/dbraw/zinc/13/06/33/557130633.db2.gz ZQKPJHJPJVJEEX-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000060823421 557136501 /nfs/dbraw/zinc/13/65/01/557136501.db2.gz MCXAUMKBNKAESE-UHFFFAOYSA-N 0 0 427.354 3.480 50 5 IGBARN COC(=O)[C@@H](Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC(=O)c1ccccc1 ZINC000000705360 557139632 /nfs/dbraw/zinc/13/96/32/557139632.db2.gz QHNLEMNIGRWAGE-OAQYLSRUSA-N 0 0 448.431 3.328 50 5 IGBARN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000000754969 557167928 /nfs/dbraw/zinc/16/79/28/557167928.db2.gz KHKPWNSEHCTWAE-FQEVSTJZSA-N 0 0 445.431 3.455 50 5 IGBARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000014756063 557201648 /nfs/dbraw/zinc/20/16/48/557201648.db2.gz PESQUIJHARZZEO-BBRMVZONSA-N 0 0 443.504 3.365 50 5 IGBARN Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3C3CCCC3)c(=O)n2c1 ZINC000100662485 557268743 /nfs/dbraw/zinc/26/87/43/557268743.db2.gz AOMCRVAIKYXRKE-UHFFFAOYSA-N 0 0 427.508 3.482 50 5 IGBARN COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)c([N+](=O)[O-])c1 ZINC000014137136 557308892 /nfs/dbraw/zinc/30/88/92/557308892.db2.gz MVJDCOFHSIGLJS-UHFFFAOYSA-N 0 0 445.457 3.137 50 5 IGBARN O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 ZINC000023411686 557353189 /nfs/dbraw/zinc/35/31/89/557353189.db2.gz APVFFQONCZVKSM-FQEVSTJZSA-N 0 0 442.435 3.456 50 5 IGBARN CCOc1ccc(S(=O)(=O)N2c3cccc4cccc(c34)S2(=O)=O)c([N+](=O)[O-])c1 ZINC000000851077 557830799 /nfs/dbraw/zinc/83/07/99/557830799.db2.gz RMXRQHLNPWPGAB-UHFFFAOYSA-N 0 0 434.451 3.044 50 5 IGBARN O=C(CCc1ccccc1Cl)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025023063 557840160 /nfs/dbraw/zinc/84/01/60/557840160.db2.gz JOQJNOHANIMDQM-UHFFFAOYSA-N 0 0 431.876 3.073 50 5 IGBARN CC[C@H](CO)n1c(=O)c2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003305222 562933978 /nfs/dbraw/zinc/93/39/78/562933978.db2.gz WTRVKXYTQSNGDI-OAHLLOKOSA-N 0 0 443.481 3.407 50 5 IGBARN CCn1cc(Br)c(C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1 ZINC000008450876 562949442 /nfs/dbraw/zinc/94/94/42/562949442.db2.gz QHVIQHMDXQBYST-UHFFFAOYSA-N 0 0 426.296 3.317 50 5 aggregator IGBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCCCC1=O ZINC000015940439 563019310 /nfs/dbraw/zinc/01/93/10/563019310.db2.gz ANWFZZYFGCSACU-GDBMZVCRSA-N 0 0 428.894 3.155 50 5 IGBARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001109822 568657936 /nfs/dbraw/zinc/65/79/36/568657936.db2.gz XLYNTFZXGCBSSL-UHFFFAOYSA-N 0 0 441.465 3.091 50 5 IGBARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 ZINC000001188898 568736016 /nfs/dbraw/zinc/73/60/16/568736016.db2.gz BYRIBFKTMHWEQG-UHFFFAOYSA-N 0 0 445.387 3.434 50 5 IGBARN COc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000001203926 568736910 /nfs/dbraw/zinc/73/69/10/568736910.db2.gz SVIARLLSTUFXJM-UHFFFAOYSA-N 0 0 441.465 3.437 50 5 IGBARN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000015390618 568761434 /nfs/dbraw/zinc/76/14/34/568761434.db2.gz SDFOENGXYDZZQI-UHFFFAOYSA-N 0 0 437.437 3.320 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CC1 ZINC000025778471 568780061 /nfs/dbraw/zinc/78/00/61/568780061.db2.gz TZLPYQBAMOLGLY-UHFFFAOYSA-N 0 0 443.481 3.069 50 5 IGBARN COc1cc(N[C@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)C2)cc(OC)c1 ZINC000084086054 568791882 /nfs/dbraw/zinc/79/18/82/568791882.db2.gz HXFGNFVUQXMCGJ-INIZCTEOSA-N 0 0 449.529 3.494 50 5 IGBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCCC3)c(=N)n1Cc1ccco1)c2=O ZINC000100627296 568838795 /nfs/dbraw/zinc/83/87/95/568838795.db2.gz MHQNWKAQKJYVOG-UHFFFAOYSA-N 0 0 431.496 3.141 50 5 IGBARN CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000001749341 568897774 /nfs/dbraw/zinc/89/77/74/568897774.db2.gz GXMLXSRECCZPMR-UHFFFAOYSA-N 0 0 436.442 3.336 50 5 IGBARN CC(C)c1nnc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1 ZINC000001904036 568918254 /nfs/dbraw/zinc/91/82/54/568918254.db2.gz NADUFPVIYYWGPK-UHFFFAOYSA-N 0 0 431.474 3.365 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000138266095 568943619 /nfs/dbraw/zinc/94/36/19/568943619.db2.gz HELTVISIBNMGKY-PCCBWWKXSA-N 0 0 431.404 3.352 50 5 IGBARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000064787590 568956248 /nfs/dbraw/zinc/95/62/48/568956248.db2.gz CSDRCQCMNJKPGZ-QFIPXVFZSA-N 0 0 446.463 3.042 50 5 IGBARN CC(C)OC[C@H](O)CN[C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154872 568964756 /nfs/dbraw/zinc/96/47/56/568964756.db2.gz FXMPJPGOYSKVGZ-WOJBJXKFSA-N 0 0 426.473 3.304 50 5 IGBARN O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12)N1CCC(Cc2ccccc2)CC1 ZINC000169681351 568991862 /nfs/dbraw/zinc/99/18/62/568991862.db2.gz HZQPPRSDQZJCDN-VWNXMTODSA-N 0 0 435.524 3.454 50 5 IGBARN O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12)N1CCC(Cc2ccccc2)CC1 ZINC000169681352 568991909 /nfs/dbraw/zinc/99/19/09/568991909.db2.gz HZQPPRSDQZJCDN-UPVQGACJSA-N 0 0 435.524 3.454 50 5 IGBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] ZINC000239038744 569138455 /nfs/dbraw/zinc/13/84/55/569138455.db2.gz DVPFLIMJWPWIAV-WNRNVDISSA-N 0 0 445.388 3.205 50 5 IGBARN C[C@H]1CCc2[nH]c3ccc(C(=O)NCCS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2C1 ZINC000170594827 569141543 /nfs/dbraw/zinc/14/15/43/569141543.db2.gz GZICDCWGBKCXIZ-AWEZNQCLSA-N 0 0 441.509 3.405 50 5 IGBARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000027527521 569263227 /nfs/dbraw/zinc/26/32/27/569263227.db2.gz CWNOHYZWRNXGKV-UHFFFAOYSA-N 0 0 446.419 3.373 50 5 IGBARN CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000009426883 569296228 /nfs/dbraw/zinc/29/62/28/569296228.db2.gz XAWAKZSDAPDTTI-UHFFFAOYSA-N 0 0 441.469 3.157 50 5 IGBARN COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000009668134 569297632 /nfs/dbraw/zinc/29/76/32/569297632.db2.gz DLGVOIAFGLXARS-UHFFFAOYSA-N 0 0 434.905 3.094 50 5 IGBARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000013075975 569309247 /nfs/dbraw/zinc/30/92/47/569309247.db2.gz CAOQVDNNTUJXKN-FOSCPWQOSA-N 0 0 428.363 3.491 50 5 IGBARN Cn1nnnc1Sc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000013108252 569310136 /nfs/dbraw/zinc/31/01/36/569310136.db2.gz PCOCCYNIYLAWPT-UHFFFAOYSA-N 0 0 433.421 3.035 50 5 IGBARN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000018246929 569316235 /nfs/dbraw/zinc/31/62/35/569316235.db2.gz KHHPTXFRMFAHBB-KDURUIRLSA-N 0 0 434.404 3.090 50 5 IGBARN COC(=O)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(Cl)c1 ZINC000328593636 569317459 /nfs/dbraw/zinc/31/74/59/569317459.db2.gz RFPOLWITMKDGCK-LJQANCHMSA-N 0 0 435.864 3.398 50 5 IGBARN O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000020103551 569333997 /nfs/dbraw/zinc/33/39/97/569333997.db2.gz LGYRVEIOFODPMV-FQEVSTJZSA-N 0 0 442.435 3.456 50 5 IGBARN COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC ZINC000020152651 569353418 /nfs/dbraw/zinc/35/34/18/569353418.db2.gz QLTITJWLWFLUJS-UHFFFAOYSA-N 0 0 433.420 3.126 50 5 IGBARN O=C1c2oc3c4ccccc4ccc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 ZINC000020308791 569359570 /nfs/dbraw/zinc/35/95/70/569359570.db2.gz CJVUSJGRPWXEOK-JOCHJYFZSA-N 0 0 441.487 3.219 50 5 IGBARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000095347699 569361553 /nfs/dbraw/zinc/36/15/53/569361553.db2.gz JMNXNOZYILVYLE-SFHVURJKSA-N 0 0 432.864 3.312 50 5 IGBARN O=C(NN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)c1ccc(Br)cc1 ZINC000095470976 569371811 /nfs/dbraw/zinc/37/18/11/569371811.db2.gz KEXNEGIBRBXRML-UHFFFAOYSA-N 0 0 440.209 3.452 50 5 IGBARN COc1ccc(C(=O)OCc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1[N+](=O)[O-] ZINC000002649655 569414549 /nfs/dbraw/zinc/41/45/49/569414549.db2.gz VDSFDZDVJLYVKR-SNVBAGLBSA-N 0 0 429.454 3.383 50 5 IGBARN CCCCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000002656303 569415472 /nfs/dbraw/zinc/41/54/72/569415472.db2.gz KDBXCFULDPTYHI-UHFFFAOYSA-N 0 0 440.481 3.154 50 5 IGBARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1 ZINC000028698752 569417605 /nfs/dbraw/zinc/41/76/05/569417605.db2.gz XMPVTKWQBGMQGR-LBPRGKRZSA-N 0 0 427.442 3.006 50 5 IGBARN CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000002762072 569420643 /nfs/dbraw/zinc/42/06/43/569420643.db2.gz ITQONYRGECIXCZ-UHFFFAOYSA-N 0 0 445.453 3.317 50 5 IGBARN COc1ccc(Oc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc([N+](=O)[O-])c2)cc1 ZINC000002804142 569422568 /nfs/dbraw/zinc/42/25/68/569422568.db2.gz PZDSPJCDOGZOCO-UHFFFAOYSA-N 0 0 449.485 3.006 50 5 IGBARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 ZINC000002836881 569423079 /nfs/dbraw/zinc/42/30/79/569423079.db2.gz YBEXDHYIVXYSTG-UHFFFAOYSA-N 0 0 427.486 3.362 50 5 IGBARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] ZINC000002865887 569423629 /nfs/dbraw/zinc/42/36/29/569423629.db2.gz KDSNRAKYJDAORE-UHFFFAOYSA-N 0 0 427.438 3.483 50 5 IGBARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc([N+](=O)[O-])cc1 ZINC000003008817 569435093 /nfs/dbraw/zinc/43/50/93/569435093.db2.gz ITOAIYXSSQRLPS-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1C ZINC000003009166 569435102 /nfs/dbraw/zinc/43/51/02/569435102.db2.gz WEPJATLSGLOOGW-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000029939853 569439726 /nfs/dbraw/zinc/43/97/26/569439726.db2.gz BZGCSGLLRRMGLP-GOSISDBHSA-N 0 0 439.921 3.372 50 5 IGBARN Cc1cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1[N+](=O)[O-] ZINC000030062887 569440632 /nfs/dbraw/zinc/44/06/32/569440632.db2.gz PUDWCVXWURYIIL-UHFFFAOYSA-N 0 0 429.498 3.281 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc21 ZINC000003186009 569441350 /nfs/dbraw/zinc/44/13/50/569441350.db2.gz LZPMZCVTGPUSBI-UHFFFAOYSA-N 0 0 426.410 3.119 50 5 IGBARN O=C(Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000058010863 569444967 /nfs/dbraw/zinc/44/49/67/569444967.db2.gz GRXRVBFYCMHVNT-UHFFFAOYSA-N 0 0 436.512 3.159 50 5 IGBARN O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000030609156 569444969 /nfs/dbraw/zinc/44/49/69/569444969.db2.gz UOXYPURCTITRBQ-HNNXBMFYSA-N 0 0 446.891 3.042 50 5 IGBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1 ZINC000003406505 569449935 /nfs/dbraw/zinc/44/99/35/569449935.db2.gz WSRAJBDOMZFAOG-UHFFFAOYSA-N 0 0 434.865 3.492 50 5 IGBARN CCn1c(SCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccco1 ZINC000003420380 569450361 /nfs/dbraw/zinc/45/03/61/569450361.db2.gz COMPHXCCDQRFSK-UHFFFAOYSA-N 0 0 446.441 3.168 50 5 IGBARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000031778187 569457379 /nfs/dbraw/zinc/45/73/79/569457379.db2.gz GLIOYFWMSBVBIS-LJQANCHMSA-N 0 0 431.876 3.229 50 5 IGBARN CCN(Cc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000008704179 569470317 /nfs/dbraw/zinc/47/03/17/569470317.db2.gz VAFZXTORWKKBOG-UHFFFAOYSA-N 0 0 449.529 3.423 50 5 IGBARN COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c([N+](=O)[O-])c1 ZINC000008717316 569470994 /nfs/dbraw/zinc/47/09/94/569470994.db2.gz BUNOTFBTJIOOJJ-NSHDSACASA-N 0 0 428.470 3.138 50 5 IGBARN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000008868279 569480385 /nfs/dbraw/zinc/48/03/85/569480385.db2.gz FACHAKSWPLDFJU-KRWDZBQOSA-N 0 0 436.486 3.193 50 5 IGBARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008882047 569482922 /nfs/dbraw/zinc/48/29/22/569482922.db2.gz XSTKIUNSQHKQQW-UHFFFAOYSA-N 0 0 432.845 3.115 50 5 IGBARN COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC ZINC000040134367 569490520 /nfs/dbraw/zinc/49/05/20/569490520.db2.gz HPERXAWMQGBLMT-HNNXBMFYSA-N 0 0 429.473 3.248 50 5 IGBARN C[C@H](CN1CCCC1=O)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000040157739 569494381 /nfs/dbraw/zinc/49/43/81/569494381.db2.gz RICQCDHPOFPVET-CYBMUJFWSA-N 0 0 444.875 3.241 50 5 IGBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009138446 569507226 /nfs/dbraw/zinc/50/72/26/569507226.db2.gz DBWXJVXBYBVWQQ-UHFFFAOYSA-N 0 0 435.263 3.064 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)o1 ZINC000009227545 569513459 /nfs/dbraw/zinc/51/34/59/569513459.db2.gz NORRTBXJMZSVCB-UHFFFAOYSA-N 0 0 443.441 3.343 50 5 IGBARN Cc1ccc(C)c(OCCOC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c1 ZINC000009254915 569516407 /nfs/dbraw/zinc/51/64/07/569516407.db2.gz MRHCAXJYMWMOEM-UHFFFAOYSA-N 0 0 429.458 3.122 50 5 IGBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000009287031 569519225 /nfs/dbraw/zinc/51/92/25/569519225.db2.gz YUJCXHRKCMUZLC-VCIFKONDSA-N 0 0 438.831 3.423 50 5 IGBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccnc(OC2CCCC2)c1 ZINC000069946983 569525069 /nfs/dbraw/zinc/52/50/69/569525069.db2.gz YTTBWRXWRLQFHN-UHFFFAOYSA-N 0 0 440.456 3.316 50 5 IGBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(C(F)(F)F)c1 ZINC000009373647 569527127 /nfs/dbraw/zinc/52/71/27/569527127.db2.gz HNSQZIPRHKEDPV-UHFFFAOYSA-N 0 0 431.392 3.378 50 5 IGBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(I)cc1 ZINC000009403247 569529474 /nfs/dbraw/zinc/52/94/74/569529474.db2.gz NFNLQQIGHVQGOC-UHFFFAOYSA-N 0 0 441.177 3.423 50 5 IGBARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000009465131 569537831 /nfs/dbraw/zinc/53/78/31/569537831.db2.gz VGCDOCLQIIMSDN-ZDUSSCGKSA-N 0 0 449.460 3.284 50 5 IGBARN O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009544783 569546038 /nfs/dbraw/zinc/54/60/38/569546038.db2.gz DSIWWRJSVYOAIM-IBGZPJMESA-N 0 0 447.856 3.359 50 5 IGBARN C[C@@H](OC(=O)CSc1ncnc2sccc21)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009592757 569550328 /nfs/dbraw/zinc/55/03/28/569550328.db2.gz NWVCENHCZGHHIE-SECBINFHSA-N 0 0 436.446 3.401 50 5 IGBARN CCOC(=O)Cc1csc(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1 ZINC000009630808 569553651 /nfs/dbraw/zinc/55/36/51/569553651.db2.gz JNISOQOEZPDOGC-UHFFFAOYSA-N 0 0 425.488 3.205 50 5 IGBARN O=C(CCCSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000009643736 569555943 /nfs/dbraw/zinc/55/59/43/569555943.db2.gz VNBRRVNQJWMWHY-UHFFFAOYSA-N 0 0 449.554 3.000 50 5 IGBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)sc2c1 ZINC000009730459 569564431 /nfs/dbraw/zinc/56/44/31/569564431.db2.gz WSVMMDXQAPAWFD-UHFFFAOYSA-N 0 0 443.466 3.046 50 5 IGBARN Cc1ccc(-n2ncc3c2ncn(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c3=O)cc1C ZINC000010252076 569579873 /nfs/dbraw/zinc/57/98/73/569579873.db2.gz KQTSBBFIYBPMBO-UHFFFAOYSA-N 0 0 438.831 3.145 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1ccco1 ZINC000008690062 132290558 /nfs/dbraw/zinc/29/05/58/132290558.db2.gz WJFRIUMNYOLBQY-UHFFFAOYSA-N 0 0 442.497 3.311 50 5 aggregator IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N1CCCCC1 ZINC000008781217 132294490 /nfs/dbraw/zinc/29/44/90/132294490.db2.gz LVTUFACNKPBMPW-UHFFFAOYSA-N 0 0 430.530 3.096 50 5 IGBARN CN(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009580028 132322202 /nfs/dbraw/zinc/32/22/02/132322202.db2.gz YNAPCKAWXINGJH-UHFFFAOYSA-N 0 0 426.473 3.447 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000009601760 132323166 /nfs/dbraw/zinc/32/31/66/132323166.db2.gz OYPXZRZKINBIMR-UHFFFAOYSA-N 0 0 429.420 3.266 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 ZINC000012556439 519592668 /nfs/dbraw/zinc/59/26/68/519592668.db2.gz LXRZRDPJZBGCNL-AWEZNQCLSA-N 0 0 430.892 3.408 50 5 IGBARN CCOC(=O)CSc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000020664111 520811496 /nfs/dbraw/zinc/81/14/96/520811496.db2.gz NUUOLOBKSBTAPE-UHFFFAOYSA-N 0 0 429.498 3.212 50 5 IGBARN CNc1cc2ncn(C[C@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2cc1[N+](=O)[O-] ZINC000012607949 522577928 /nfs/dbraw/zinc/57/79/28/522577928.db2.gz ZQMBWRLTTUOBTQ-NSHDSACASA-N 0 0 439.255 3.093 50 5 IGBARN COCc1cc(C)nc2sc3c(nc(-c4ccc([N+](=O)[O-])cc4)n(CCO)c3=O)c21 ZINC000012445634 522919277 /nfs/dbraw/zinc/91/92/77/522919277.db2.gz QPLCCTAWGZRQKE-UHFFFAOYSA-N 0 0 426.454 3.029 50 5 IGBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc21 ZINC000012401884 522972255 /nfs/dbraw/zinc/97/22/55/522972255.db2.gz BHGXJWFUAKETPO-CYBMUJFWSA-N 0 0 434.408 3.387 50 5 IGBARN COCCCNC(=O)CSc1ccc(C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000020664303 523330402 /nfs/dbraw/zinc/33/04/02/523330402.db2.gz ZVKOFPREMVXOKR-UHFFFAOYSA-N 0 0 433.486 3.101 50 5 IGBARN COc1ccc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000012929303 523601394 /nfs/dbraw/zinc/60/13/94/523601394.db2.gz RWLNQPRDIBYOIE-UHFFFAOYSA-N 0 0 425.363 3.168 50 5 IGBARN Cc1ccc(C2=NC(NC(=O)c3cccc([N+](=O)[O-])c3)=S=C2NC(=O)c2ccco2)cc1 ZINC000334158868 524230484 /nfs/dbraw/zinc/23/04/84/524230484.db2.gz CFSXCCGWXVIQRQ-UHFFFAOYSA-N 0 0 448.460 3.109 50 5 IGBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(NCCN5CCOCC5)nn4c(=O)c32)C1 ZINC000021548822 524437705 /nfs/dbraw/zinc/43/77/05/524437705.db2.gz CHPARBDWAZNSEQ-HNNXBMFYSA-N 0 0 449.580 3.326 50 5 IGBARN Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000012561569 525058779 /nfs/dbraw/zinc/05/87/79/525058779.db2.gz BXUPVVFFYRTOFL-NRFANRHFSA-N 0 0 438.484 3.122 50 5 IGBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000012597118 525662017 /nfs/dbraw/zinc/66/20/17/525662017.db2.gz NHHKRQMIQMSYGU-LBPRGKRZSA-N 0 0 427.429 3.067 50 5 IGBARN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017727624 525887730 /nfs/dbraw/zinc/88/77/30/525887730.db2.gz XNZVMLWRHKTYTQ-JSGCOSHPSA-N 0 0 440.387 3.441 50 5 IGBARN CSc1ccc(C(=O)NCC(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000015976893 525962893 /nfs/dbraw/zinc/96/28/93/525962893.db2.gz MOGYTLWWXBKHSZ-UHFFFAOYSA-N 0 0 427.404 3.382 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012556362 526079818 /nfs/dbraw/zinc/07/98/18/526079818.db2.gz SQOGZPAUYIFRGW-NRFANRHFSA-N 0 0 438.484 3.122 50 5 IGBARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022907503 526494311 /nfs/dbraw/zinc/49/43/11/526494311.db2.gz IPLQAWGIZITOCD-FQEVSTJZSA-N 0 0 434.452 3.042 50 5 IGBARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000022907500 526581184 /nfs/dbraw/zinc/58/11/84/526581184.db2.gz IPLQAWGIZITOCD-HXUWFJFHSA-N 0 0 434.452 3.042 50 5 IGBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012921309 526717452 /nfs/dbraw/zinc/71/74/52/526717452.db2.gz BWTQLZOPNWTOLH-UHFFFAOYSA-N 0 0 437.408 3.261 50 5 IGBARN O=C(COC(=O)c1cc(Br)ccc1O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016749452 526911380 /nfs/dbraw/zinc/91/13/80/526911380.db2.gz FXCRUUAJYBBDQQ-UHFFFAOYSA-N 0 0 435.230 3.199 50 5 IGBARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000023177616 526914788 /nfs/dbraw/zinc/91/47/88/526914788.db2.gz DQOWIOMKLQXSBE-NHCUHLMSSA-N 0 0 443.525 3.332 50 5 IGBARN Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@H]1COc2ccccc2O1 ZINC000021179877 527086962 /nfs/dbraw/zinc/08/69/62/527086962.db2.gz BZRJUJXMZXVZSH-QGZVFWFLSA-N 0 0 442.453 3.395 50 5 IGBARN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(CO)c3ccccc3C2c2ccccc21 ZINC000004510955 556368147 /nfs/dbraw/zinc/36/81/47/556368147.db2.gz RHLNRSGMTBMLNN-YCIYHOANSA-N 0 0 426.428 3.138 50 5 IGBARN CCS(=O)(=O)N1CCC[C@H](c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)C1 ZINC000013643752 556543026 /nfs/dbraw/zinc/54/30/26/556543026.db2.gz NEJAVJWRHIIMCT-ZDUSSCGKSA-N 0 0 430.559 3.033 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[S@@](=O)C3)cc1 ZINC000011726336 556648813 /nfs/dbraw/zinc/64/88/13/556648813.db2.gz UUTBCSKSSVEJMX-PMERELPUSA-N 0 0 446.872 3.457 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013847532 556745819 /nfs/dbraw/zinc/74/58/19/556745819.db2.gz KKXRXIHVJHMWIE-UHFFFAOYSA-N 0 0 441.893 3.442 50 5 IGBARN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017727626 557112826 /nfs/dbraw/zinc/11/28/26/557112826.db2.gz XNZVMLWRHKTYTQ-GXTWGEPZSA-N 0 0 440.387 3.441 50 5 IGBARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000024759632 557135025 /nfs/dbraw/zinc/13/50/25/557135025.db2.gz GMPGAIOMVIDLCN-UHFFFAOYSA-N 0 0 426.498 3.352 50 5 IGBARN O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000100896257 557199328 /nfs/dbraw/zinc/19/93/28/557199328.db2.gz BQUOUFFAFFJOTE-BHIFYINESA-N 0 0 428.448 3.215 50 5 IGBARN COc1ccccc1N1C(=O)C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C1=O ZINC000100943214 557203084 /nfs/dbraw/zinc/20/30/84/557203084.db2.gz DLMALLWDACOCFI-UNMCSNQZSA-N 0 0 442.431 3.386 50 5 IGBARN CCOC(=O)[C@]1(C)C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000100067429 557226312 /nfs/dbraw/zinc/22/63/12/557226312.db2.gz VYLNKUVDNLJPIR-FQEVSTJZSA-N 0 0 426.385 3.167 50 5 IGBARN COCCNc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] ZINC000018111437 557237625 /nfs/dbraw/zinc/23/76/25/557237625.db2.gz MVVCUMILTCASRW-UHFFFAOYSA-N 0 0 438.937 3.326 50 5 IGBARN Cc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000000839663 557280002 /nfs/dbraw/zinc/28/00/02/557280002.db2.gz BNTIACJYNKZTHW-UHFFFAOYSA-N 0 0 439.493 3.415 50 5 IGBARN CCOC(=O)N1CCC(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000101860980 557303782 /nfs/dbraw/zinc/30/37/82/557303782.db2.gz SGECOPFOXDVCSN-CALCHBBNSA-N 0 0 444.488 3.307 50 5 IGBARN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014234956 557326306 /nfs/dbraw/zinc/32/63/06/557326306.db2.gz YUEDMAKQYKIVDK-SNVBAGLBSA-N 0 0 434.503 3.132 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000102783816 557387827 /nfs/dbraw/zinc/38/78/27/557387827.db2.gz MRSMMRLMXCMVOB-CALCHBBNSA-N 0 0 429.473 3.054 50 5 IGBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3Cl)C[C@H]12 ZINC000104915200 557464812 /nfs/dbraw/zinc/46/48/12/557464812.db2.gz OSULNYAXXILEGV-LAUBAEHRSA-N 0 0 426.904 3.394 50 5 IGBARN Cc1ccc(Cn2c(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc3cccnc32)cc1 ZINC000047146064 557517529 /nfs/dbraw/zinc/51/75/29/557517529.db2.gz IKMRQLUPRMZZDA-UHFFFAOYSA-N 0 0 437.481 3.175 50 5 IGBARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000008769452 562963957 /nfs/dbraw/zinc/96/39/57/562963957.db2.gz HKAYHRPMGRETGB-FQEVSTJZSA-N 0 0 426.425 3.262 50 5 IGBARN COC(=O)c1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])c(Br)c1C ZINC000009597965 562973767 /nfs/dbraw/zinc/97/37/67/562973767.db2.gz HAWOOQQTGWIDAW-UHFFFAOYSA-N 0 0 425.239 3.068 50 5 IGBARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015391725 563017814 /nfs/dbraw/zinc/01/78/14/563017814.db2.gz WWXTXTRMWKLIMR-UHFFFAOYSA-N 0 0 435.436 3.124 50 5 IGBARN COc1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1OCc1ccccc1 ZINC000019025736 568634565 /nfs/dbraw/zinc/63/45/65/568634565.db2.gz XNLNWDRJBIZWKU-UHFFFAOYSA-N 0 0 437.452 3.003 50 5 IGBARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)OCc1cccc([N+](=O)[O-])c1 ZINC000025081343 568635674 /nfs/dbraw/zinc/63/56/74/568635674.db2.gz MVARPLINBBZEJH-UHFFFAOYSA-N 0 0 447.241 3.477 50 5 IGBARN CCNc1nc2c(s1)[C@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC(=O)N2 ZINC000015110133 568644572 /nfs/dbraw/zinc/64/45/72/568644572.db2.gz NZTXIYHIYWKGLX-AWEZNQCLSA-N 0 0 428.474 3.211 50 5 IGBARN COc1ccc(OCCN2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000025169289 568646744 /nfs/dbraw/zinc/64/67/44/568646744.db2.gz GIDOGLBFTZVNQE-KRWDZBQOSA-N 0 0 445.541 3.307 50 5 IGBARN COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000015168965 568731888 /nfs/dbraw/zinc/73/18/88/568731888.db2.gz BOQDGXLETFSVOT-NRFANRHFSA-N 0 0 448.545 3.103 50 5 IGBARN O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025570599 568736185 /nfs/dbraw/zinc/73/61/85/568736185.db2.gz WJBXNTLPSJEIDI-CYBMUJFWSA-N 0 0 425.474 3.176 50 5 IGBARN O=C(NC[C@H]1CCCO1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 ZINC000001203996 568736943 /nfs/dbraw/zinc/73/69/43/568736943.db2.gz GZHKSVSKQFTNSJ-CYBMUJFWSA-N 0 0 435.362 3.232 50 5 IGBARN COc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000003362430 568747217 /nfs/dbraw/zinc/74/72/17/568747217.db2.gz RODYIIJQJZZJKU-UHFFFAOYSA-N 0 0 430.200 3.109 50 5 IGBARN C[C@H](OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)NC(=O)NC(C)(C)C ZINC000015816614 568839898 /nfs/dbraw/zinc/83/98/98/568839898.db2.gz XWNHMPFUWUDJON-AWEZNQCLSA-N 0 0 434.493 3.001 50 5 IGBARN CCCn1c2nc(CC(C)C)nc(SCc3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000016044036 568868267 /nfs/dbraw/zinc/86/82/67/568868267.db2.gz TVTQVNYWSQIXRU-UHFFFAOYSA-N 0 0 443.529 3.299 50 5 IGBARN CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000001681523 568877860 /nfs/dbraw/zinc/87/78/60/568877860.db2.gz MBHFXCWGKAUFQO-UHFFFAOYSA-N 0 0 430.413 3.401 50 5 IGBARN Cc1nnc(SCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000016475028 568906749 /nfs/dbraw/zinc/90/67/49/568906749.db2.gz YDASKBUGGUKRHQ-UHFFFAOYSA-N 0 0 447.464 3.214 50 5 IGBARN Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)sc1C(=O)Nc1nccs1 ZINC000001836654 568916236 /nfs/dbraw/zinc/91/62/36/568916236.db2.gz VWLGNOCYVBRSNV-UHFFFAOYSA-N 0 0 436.500 3.073 50 5 IGBARN O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 ZINC000016526943 568920962 /nfs/dbraw/zinc/92/09/62/568920962.db2.gz OYACOFJXWISPMK-UHFFFAOYSA-N 0 0 430.313 3.408 50 5 IGBARN Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000026902576 568924256 /nfs/dbraw/zinc/92/42/56/568924256.db2.gz CHFUEOTUDKJTMT-UHFFFAOYSA-N 0 0 449.432 3.300 50 5 IGBARN CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000006631935 568941964 /nfs/dbraw/zinc/94/19/64/568941964.db2.gz NPGAYBDFBQBWHP-OAHLLOKOSA-N 0 0 435.502 3.022 50 5 IGBARN Cc1ccc(-c2c3c(c4n2CCO[C@H]4CC(C)C)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000064787654 568956242 /nfs/dbraw/zinc/95/62/42/568956242.db2.gz BOSORQVJEKQZJL-INIZCTEOSA-N 0 0 426.473 3.040 50 5 IGBARN CC(C)OC[C@@H](O)CN[C@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036154874 568964749 /nfs/dbraw/zinc/96/47/49/568964749.db2.gz FXMPJPGOYSKVGZ-VQTJNVASSA-N 0 0 426.473 3.304 50 5 IGBARN CC(C)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036254601 568984762 /nfs/dbraw/zinc/98/47/62/568984762.db2.gz JAOPJANAKHHFGP-OAQYLSRUSA-N 0 0 430.549 3.074 50 5 IGBARN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000170608091 569144932 /nfs/dbraw/zinc/14/49/32/569144932.db2.gz TYWFVVUIZQZVHS-HZPDHXFCSA-N 0 0 446.423 3.002 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000089929772 569167882 /nfs/dbraw/zinc/16/78/82/569167882.db2.gz HHLCRSRHISIMRX-CQSZACIVSA-N 0 0 433.486 3.419 50 5 IGBARN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000017044966 569171360 /nfs/dbraw/zinc/17/13/60/569171360.db2.gz HOMJHZYQMNVLEA-OAHLLOKOSA-N 0 0 427.457 3.390 50 5 IGBARN CCn1ncc(-c2ccnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c1C ZINC000017095804 569172931 /nfs/dbraw/zinc/17/29/31/569172931.db2.gz OJPMSCWWTJKDJU-UHFFFAOYSA-N 0 0 428.474 3.316 50 5 IGBARN COCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c1=O ZINC000002236907 569212361 /nfs/dbraw/zinc/21/23/61/569212361.db2.gz MRUQHFANZQYUEW-UHFFFAOYSA-N 0 0 443.463 3.026 50 5 IGBARN COc1ccc2c(c1)c(C(=O)CN1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)c(C)n2C ZINC000002266485 569216242 /nfs/dbraw/zinc/21/62/42/569216242.db2.gz BBAYGZKBOFSBIU-UHFFFAOYSA-N 0 0 436.512 3.404 50 5 IGBARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009282078 569294938 /nfs/dbraw/zinc/29/49/38/569294938.db2.gz VKQFSUWJDOQQET-UHFFFAOYSA-N 0 0 444.447 3.447 50 5 IGBARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1OC ZINC000009328551 569295553 /nfs/dbraw/zinc/29/55/53/569295553.db2.gz QZSMVDCLNGUCCR-UHFFFAOYSA-N 0 0 443.485 3.447 50 5 IGBARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009327550 569295595 /nfs/dbraw/zinc/29/55/95/569295595.db2.gz DPCWVCPRLHOBOU-UHFFFAOYSA-N 0 0 425.470 3.362 50 5 IGBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000009478720 569296666 /nfs/dbraw/zinc/29/66/66/569296666.db2.gz FDQPHMCWENVSPS-UHFFFAOYSA-N 0 0 444.296 3.048 50 5 IGBARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000009720551 569297809 /nfs/dbraw/zinc/29/78/09/569297809.db2.gz YCPCABMTQWPYCU-UHFFFAOYSA-N 0 0 425.466 3.368 50 5 IGBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(CCCO)nc2N1 ZINC000011859443 569302997 /nfs/dbraw/zinc/30/29/97/569302997.db2.gz HSGUDEFTHLADJA-FQEVSTJZSA-N 0 0 434.456 3.039 50 5 IGBARN O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000013137163 569311362 /nfs/dbraw/zinc/31/13/62/569311362.db2.gz HKHDXJHBDCKBLX-UHFFFAOYSA-N 0 0 432.502 3.210 50 5 IGBARN COC(=O)c1ccc(OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(OC)c1 ZINC000020006326 569332268 /nfs/dbraw/zinc/33/22/68/569332268.db2.gz UAOPWTZCIQMDIF-UHFFFAOYSA-N 0 0 439.424 3.471 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(CCOc3ccccc3Cl)CC2)cc1N1CCOCC1 ZINC000055526908 569363461 /nfs/dbraw/zinc/36/34/61/569363461.db2.gz PVYLVFNPEKLIQR-UHFFFAOYSA-N 0 0 446.935 3.286 50 5 IGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 ZINC000095467611 569371057 /nfs/dbraw/zinc/37/10/57/569371057.db2.gz DNWBGKPRMMFMNQ-ZHRRBRCNSA-N 0 0 445.541 3.459 50 5 IGBARN COc1ccc(C(=O)OCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1[N+](=O)[O-] ZINC000002649654 569414540 /nfs/dbraw/zinc/41/45/40/569414540.db2.gz VDSFDZDVJLYVKR-JTQLQIEISA-N 0 0 429.454 3.383 50 5 IGBARN CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cc1C ZINC000002656762 569415521 /nfs/dbraw/zinc/41/55/21/569415521.db2.gz PRKDCKPEZBNMDP-UHFFFAOYSA-N 0 0 448.486 3.068 50 5 IGBARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002660887 569416056 /nfs/dbraw/zinc/41/60/56/569416056.db2.gz RBLJTWDNXUWJEL-UHFFFAOYSA-N 0 0 449.448 3.484 50 5 IGBARN CC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3cccc([N+](=O)[O-])c3)o2)cnn1C ZINC000002729791 569418800 /nfs/dbraw/zinc/41/88/00/569418800.db2.gz JJIIZLBDSRWATM-UHFFFAOYSA-N 0 0 441.444 3.138 50 5 IGBARN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000002760204 569420279 /nfs/dbraw/zinc/42/02/79/569420279.db2.gz PKUWJCLNTPUGSB-UHFFFAOYSA-N 0 0 445.453 3.236 50 5 IGBARN COC(=O)c1sc2ncn3nc(-c4ccc(Cn5ccc([N+](=O)[O-])n5)cc4)nc3c2c1C ZINC000002793333 569422065 /nfs/dbraw/zinc/42/20/65/569422065.db2.gz YQFWMDZEFVSUFJ-UHFFFAOYSA-N 0 0 449.452 3.254 50 5 IGBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000002825031 569423062 /nfs/dbraw/zinc/42/30/62/569423062.db2.gz YVNJSHMOHVFNII-UHFFFAOYSA-N 0 0 434.411 3.045 50 5 IGBARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1C ZINC000002861111 569423581 /nfs/dbraw/zinc/42/35/81/569423581.db2.gz VNBFZQKHHTYUSX-UHFFFAOYSA-N 0 0 447.513 3.260 50 5 IGBARN O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)c1 ZINC000002968243 569432955 /nfs/dbraw/zinc/43/29/55/569432955.db2.gz UOHKKTXDQLLVCU-UHFFFAOYSA-N 0 0 425.382 3.070 50 5 IGBARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CS(=O)(=O)C3)c1C ZINC000003009521 569435107 /nfs/dbraw/zinc/43/51/07/569435107.db2.gz PLSPXVNSXIGISS-UHFFFAOYSA-N 0 0 426.454 3.078 50 5 IGBARN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000003102026 569440161 /nfs/dbraw/zinc/44/01/61/569440161.db2.gz MWPLFTBQANKSQE-HXUWFJFHSA-N 0 0 425.441 3.325 50 5 IGBARN CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000057993295 569444334 /nfs/dbraw/zinc/44/43/34/569444334.db2.gz JDUBZMRLKKGCGH-UHFFFAOYSA-N 0 0 442.877 3.011 50 5 IGBARN COc1cc(C(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)c([N+](=O)[O-])cc1OC ZINC000003437468 569451059 /nfs/dbraw/zinc/45/10/59/569451059.db2.gz DTTUDQAJPXNINT-UHFFFAOYSA-N 0 0 442.380 3.034 50 5 IGBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000003486629 569452406 /nfs/dbraw/zinc/45/24/06/569452406.db2.gz KIQUROCSUPEDJV-UHFFFAOYSA-N 0 0 437.437 3.396 50 5 IGBARN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000058907972 569458057 /nfs/dbraw/zinc/45/80/57/569458057.db2.gz HXQXBJMNWVUBLY-RHSMWYFYSA-N 0 0 430.461 3.031 50 5 IGBARN Cn1c(=O)c2c(n(C)c1=O)OC(c1ccccc1)=C[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000008767163 569474840 /nfs/dbraw/zinc/47/48/40/569474840.db2.gz ZKCBHTLQQHQWCQ-HNNXBMFYSA-N 0 0 425.828 3.211 50 5 IGBARN CN1C2=C(C(=O)N(c3ccc(Br)cc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000008856711 569479783 /nfs/dbraw/zinc/47/97/83/569479783.db2.gz XRCALDUFKDBYDZ-QGZVFWFLSA-N 0 0 443.257 3.354 50 5 IGBARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000008885277 569483193 /nfs/dbraw/zinc/48/31/93/569483193.db2.gz PZUUNJIPWTWTHC-SFHVURJKSA-N 0 0 437.239 3.307 50 5 IGBARN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000040090755 569487459 /nfs/dbraw/zinc/48/74/59/569487459.db2.gz XVCYNJXMPJNDGX-HXUWFJFHSA-N 0 0 440.891 3.396 50 5 IGBARN Cn1c2cn(C3CCCC3)c(-c3cc([N+](=O)[O-])ccc3Br)c2c(=O)n(C)c1=O ZINC000008994309 569495554 /nfs/dbraw/zinc/49/55/54/569495554.db2.gz HVUBSNFXKULGPA-UHFFFAOYSA-N 0 0 447.289 3.492 50 5 IGBARN COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O ZINC000009041829 569497623 /nfs/dbraw/zinc/49/76/23/569497623.db2.gz FHAHIDOFBUVKCK-CHHVJCJISA-N 0 0 426.381 3.190 50 5 IGBARN CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1O ZINC000009096071 569501425 /nfs/dbraw/zinc/50/14/25/569501425.db2.gz CDXMTWMBOWBHND-UHFFFAOYSA-N 0 0 429.458 3.318 50 5 IGBARN COc1cccc(NC(=O)CN(C)C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000009120771 569503992 /nfs/dbraw/zinc/50/39/92/569503992.db2.gz LSZQLJMEWCIYIW-UHFFFAOYSA-N 0 0 440.378 3.131 50 5 IGBARN Cc1ccc(S(=O)(=O)c2ccc(NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000009124775 569504441 /nfs/dbraw/zinc/50/44/41/569504441.db2.gz IXGHNFSXESECOV-UHFFFAOYSA-N 0 0 447.494 3.041 50 5 IGBARN COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009191179 569510664 /nfs/dbraw/zinc/51/06/64/569510664.db2.gz FGVZXIXKJOHUSK-OAHLLOKOSA-N 0 0 438.889 3.086 50 5 IGBARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[S@](=O)C3)cc1 ZINC000009413751 569531827 /nfs/dbraw/zinc/53/18/27/569531827.db2.gz IIHYMUWRXGRVRF-SSEXGKCCSA-N 0 0 446.872 3.457 50 5 IGBARN Nn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009452518 569536541 /nfs/dbraw/zinc/53/65/41/569536541.db2.gz GASWGFHVSMFQCO-UHFFFAOYSA-N 0 0 439.432 3.071 50 5 IGBARN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000009462576 569537313 /nfs/dbraw/zinc/53/73/13/569537313.db2.gz RLOSQHQCOABWBP-UHFFFAOYSA-N 0 0 430.770 3.175 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000009492971 569540671 /nfs/dbraw/zinc/54/06/71/569540671.db2.gz XTVLJJPWSCAGLP-UHFFFAOYSA-N 0 0 439.440 3.221 50 5 IGBARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009507584 569542074 /nfs/dbraw/zinc/54/20/74/569542074.db2.gz MBJDYXFEKBQZSG-GFCCVEGCSA-N 0 0 436.453 3.136 50 5 IGBARN CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000009546010 569546209 /nfs/dbraw/zinc/54/62/09/569546209.db2.gz OGHUYHWKTUDHSH-UHFFFAOYSA-N 0 0 445.457 3.049 50 5 IGBARN Cc1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000009588966 569549872 /nfs/dbraw/zinc/54/98/72/569549872.db2.gz HGLAOMMXIDOCNH-UHFFFAOYSA-N 0 0 444.447 3.337 50 5 IGBARN O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(SC(F)(F)F)cc1 ZINC000328592230 569583592 /nfs/dbraw/zinc/58/35/92/569583592.db2.gz UETCMWFDNBGTIA-UHFFFAOYSA-N 0 0 437.403 3.992 50 5 IGBARN O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)NCc1ccccc1 ZINC000000658419 193875588 /nfs/dbraw/zinc/87/55/88/193875588.db2.gz GABLDODHIWRBAU-UHFFFAOYSA-N 0 0 449.565 3.274 50 5 IGBARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000009510049 132232361 /nfs/dbraw/zinc/23/23/61/132232361.db2.gz AWYALCZWTPKDBB-UHFFFAOYSA-N 0 0 445.472 3.490 50 5 IGBARN O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000004162494 132270775 /nfs/dbraw/zinc/27/07/75/132270775.db2.gz XDRCNTGCBKBMKE-UHFFFAOYSA-N 0 0 436.468 3.140 50 5 IGBARN COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 ZINC000008683171 132290237 /nfs/dbraw/zinc/29/02/37/132290237.db2.gz UZIHABIJZKNLSJ-UHFFFAOYSA-N 0 0 435.484 3.368 50 5 IGBARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009086395 132302216 /nfs/dbraw/zinc/30/22/16/132302216.db2.gz UWLPYIIFLPZXAP-UHFFFAOYSA-N 0 0 448.932 3.159 50 5 IGBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 ZINC000009491688 132319309 /nfs/dbraw/zinc/31/93/09/132319309.db2.gz VNAAQOSEXKXELT-OAHLLOKOSA-N 0 0 446.529 3.334 50 5 IGBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000009703781 132326531 /nfs/dbraw/zinc/32/65/31/132326531.db2.gz WCJOECTYTNPSSV-UHFFFAOYSA-N 0 0 431.392 3.004 50 5 IGBARN COc1ccccc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000013039982 132343121 /nfs/dbraw/zinc/34/31/21/132343121.db2.gz ZBBADYPAEREWIV-UHFFFAOYSA-N 0 0 438.406 3.383 50 5 IGBARN CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC000012765157 518347622 /nfs/dbraw/zinc/34/76/22/518347622.db2.gz FAXBGGHWJOYDSY-UHFFFAOYSA-N 0 0 435.839 3.318 50 5 IGBARN CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 ZINC000012556438 519592873 /nfs/dbraw/zinc/59/28/73/519592873.db2.gz LXRZRDPJZBGCNL-CQSZACIVSA-N 0 0 430.892 3.408 50 5 IGBARN CC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035947205 519710128 /nfs/dbraw/zinc/71/01/28/519710128.db2.gz AZEVWWICQKLSPK-FQEVSTJZSA-N 0 0 441.463 3.461 50 5 IGBARN CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000012764540 519818472 /nfs/dbraw/zinc/81/84/72/519818472.db2.gz MDWDVSYXGYPJOI-FQEVSTJZSA-N 0 0 447.875 3.263 50 5 IGBARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 ZINC000015740602 520810460 /nfs/dbraw/zinc/81/04/60/520810460.db2.gz VEKXTNTXUWXWIN-CQSZACIVSA-N 0 0 434.518 3.158 50 5 IGBARN CCOC(=O)N1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 ZINC000017297145 520951267 /nfs/dbraw/zinc/95/12/67/520951267.db2.gz VTPODKUMRWRIHS-UHFFFAOYSA-N 0 0 443.485 3.194 50 5 IGBARN CCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)cc1OC ZINC000012780542 521229097 /nfs/dbraw/zinc/22/90/97/521229097.db2.gz RIUFONBQSOCDMW-LJQANCHMSA-N 0 0 443.500 3.114 50 5 IGBARN CCCCn1c(COc2ccccc2[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000021976484 521363665 /nfs/dbraw/zinc/36/36/65/521363665.db2.gz CMLSUVZJLJRHDT-UHFFFAOYSA-N 0 0 449.467 3.222 50 5 IGBARN CCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035766973 521532988 /nfs/dbraw/zinc/53/29/88/521532988.db2.gz LDUKKUZAKBJDPL-HXUWFJFHSA-N 0 0 429.473 3.248 50 5 IGBARN CCCn1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2c1=O ZINC000012658627 521665456 /nfs/dbraw/zinc/66/54/56/521665456.db2.gz HAAPQWAEEMMZQJ-UHFFFAOYSA-N 0 0 444.831 3.164 50 5 IGBARN COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000012654399 523284802 /nfs/dbraw/zinc/28/48/02/523284802.db2.gz YTTLXWWPGLHOBQ-UHFFFAOYSA-N 0 0 432.458 3.253 50 5 IGBARN COc1ccc(Cc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc1 ZINC000020867731 524164124 /nfs/dbraw/zinc/16/41/24/524164124.db2.gz ZOGXHCXXTREJNN-UHFFFAOYSA-N 0 0 434.412 3.079 50 5 IGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3nccn3C(F)F)c([N+](=O)[O-])c2)C1 ZINC000012544540 524242530 /nfs/dbraw/zinc/24/25/30/524242530.db2.gz GCJQPOCOIQQYHG-CYBMUJFWSA-N 0 0 443.476 3.243 50 5 IGBARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 ZINC000022568461 524792727 /nfs/dbraw/zinc/79/27/27/524792727.db2.gz NRNPPDQXKVUBPV-UHFFFAOYSA-N 0 0 433.398 3.124 50 5 IGBARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000015827980 524893114 /nfs/dbraw/zinc/89/31/14/524893114.db2.gz SLSOMFWHJQENAV-IBGZPJMESA-N 0 0 427.457 3.014 50 5 IGBARN C[C@@H](Cn1ccnc1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000040088281 524957165 /nfs/dbraw/zinc/95/71/65/524957165.db2.gz DOAFOZYXIAJULB-ZDUSSCGKSA-N 0 0 425.411 3.231 50 5 IGBARN C[C@@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F ZINC000012418093 525061293 /nfs/dbraw/zinc/06/12/93/525061293.db2.gz FCMXHQXIHXQTBS-OAHLLOKOSA-N 0 0 446.454 3.061 50 5 IGBARN COc1ccc([C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)N2CCCC2)cc1 ZINC000015329331 525362298 /nfs/dbraw/zinc/36/22/98/525362298.db2.gz KPMKGHIOYJBXKM-FQEVSTJZSA-N 0 0 433.530 3.336 50 5 IGBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012553948 525710538 /nfs/dbraw/zinc/71/05/38/525710538.db2.gz VWIGUHQRKQRSDX-CQSZACIVSA-N 0 0 438.937 3.357 50 5 IGBARN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000021129674 525890938 /nfs/dbraw/zinc/89/09/38/525890938.db2.gz FQOQHJRKENRZNZ-VXGBXAGGSA-N 0 0 449.822 3.311 50 5 IGBARN Cc1cc(=O)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000015589989 526128406 /nfs/dbraw/zinc/12/84/06/526128406.db2.gz RCKVVFMHTVSUJI-UHFFFAOYSA-N 0 0 446.385 3.440 50 5 IGBARN O=C(OCc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000012601015 526427633 /nfs/dbraw/zinc/42/76/33/526427633.db2.gz SAXZGKRDZHSMMR-UHFFFAOYSA-N 0 0 438.889 3.392 50 5 IGBARN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020478954 526937846 /nfs/dbraw/zinc/93/78/46/526937846.db2.gz GHURIHPYEWPCES-UHFFFAOYSA-N 0 0 440.431 3.254 50 5 IGBARN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012553050 527187252 /nfs/dbraw/zinc/18/72/52/527187252.db2.gz JFWZHQKTLZIUNV-GOSISDBHSA-N 0 0 446.916 3.400 50 5 IGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000017099466 527294941 /nfs/dbraw/zinc/29/49/41/527294941.db2.gz LPUGGJWRNWGKHC-UHFFFAOYSA-N 0 0 435.396 3.260 50 5 IGBARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009597140 535880039 /nfs/dbraw/zinc/88/00/39/535880039.db2.gz GUQVOCLFFGKKDS-UHFFFAOYSA-N 0 0 441.484 3.352 50 5 IGBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3cccc([N+](=O)[O-])c3)nc21 ZINC000002232646 555760596 /nfs/dbraw/zinc/76/05/96/555760596.db2.gz QDFQDPSAKLDMOW-UHFFFAOYSA-N 0 0 428.404 3.465 50 5 IGBARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)N(Cc1ccccc1)N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000229982342 556415935 /nfs/dbraw/zinc/41/59/35/556415935.db2.gz BQUOUFFAFFJOTE-YPAWHYETSA-N 0 0 428.448 3.215 50 5 IGBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(CCO)Cc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000072272756 556447252 /nfs/dbraw/zinc/44/72/52/556447252.db2.gz MSZYVMVPJWXXSJ-QGZVFWFLSA-N 0 0 433.530 3.014 50 5 IGBARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032903354 556539294 /nfs/dbraw/zinc/53/92/94/556539294.db2.gz IMBGFUIXKJBXMA-UHFFFAOYSA-N 0 0 431.399 3.118 50 5 IGBARN CN([C@@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072307442 556562598 /nfs/dbraw/zinc/56/25/98/556562598.db2.gz YOTXBSVUDPEQNC-IBGZPJMESA-N 0 0 435.502 3.039 50 5 IGBARN CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1ccccn1c2=O ZINC000100707059 556655664 /nfs/dbraw/zinc/65/56/64/556655664.db2.gz NCVUXUPATNAQRM-UHFFFAOYSA-N 0 0 428.901 3.025 50 5 IGBARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000013659487 556707806 /nfs/dbraw/zinc/70/78/06/556707806.db2.gz WBDAZJPYKCQBNH-NJDAHSKKSA-N 0 0 431.404 3.352 50 5 IGBARN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c([N+](=O)[O-])c1 ZINC000013881281 556748204 /nfs/dbraw/zinc/74/82/04/556748204.db2.gz MUXIEXKLQAURRY-UHFFFAOYSA-N 0 0 443.485 3.350 50 5 IGBARN Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000023026003 556850028 /nfs/dbraw/zinc/85/00/28/556850028.db2.gz QLSAFABEJKVCLH-UHFFFAOYSA-N 0 0 429.498 3.149 50 5 IGBARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000015525004 556856995 /nfs/dbraw/zinc/85/69/95/556856995.db2.gz LSSVJGJCLNPMHJ-UHFFFAOYSA-N 0 0 438.513 3.173 50 5 IGBARN C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000013955840 556976189 /nfs/dbraw/zinc/97/61/89/556976189.db2.gz MCCIHEOBTSXNPK-LBPRGKRZSA-N 0 0 443.460 3.328 50 5 IGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1cccc2ccccc21)N1CCOCC1 ZINC000023108203 557002444 /nfs/dbraw/zinc/00/24/44/557002444.db2.gz ZDVQMGLKVNZXBY-OAQYLSRUSA-N 0 0 441.509 3.100 50 5 IGBARN Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048310298 557060565 /nfs/dbraw/zinc/06/05/65/557060565.db2.gz ONZPCUPQMSCOPW-QGZVFWFLSA-N 0 0 432.274 3.470 50 5 IGBARN Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048310296 557060584 /nfs/dbraw/zinc/06/05/84/557060584.db2.gz ONZPCUPQMSCOPW-KRWDZBQOSA-N 0 0 432.274 3.470 50 5 IGBARN C[NH+](C)CCNc1cc(C(=O)c2cc(Cl)ccc2[O-])cn2c(=O)c3ccccc3nc12 ZINC000023865063 557121244 /nfs/dbraw/zinc/12/12/44/557121244.db2.gz BGURYYYMYJGXSW-UHFFFAOYSA-N 0 0 436.899 3.411 50 5 IGBARN CCOc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000011378585 557129827 /nfs/dbraw/zinc/12/98/27/557129827.db2.gz RFCAMKPPWDEWQY-NRFANRHFSA-N 0 0 437.412 3.011 50 5 IGBARN Cc1ccccc1[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000057524780 557137614 /nfs/dbraw/zinc/13/76/14/557137614.db2.gz XBDLFYJUPNIOEF-SFHVURJKSA-N 0 0 433.512 3.451 50 5 IGBARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024944970 557258581 /nfs/dbraw/zinc/25/85/81/557258581.db2.gz MSODACJUZSZBNV-UHFFFAOYSA-N 0 0 449.511 3.485 50 5 IGBARN CCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000101144916 557283632 /nfs/dbraw/zinc/28/36/32/557283632.db2.gz CRUPZZTXUKCPOW-UHFFFAOYSA-N 0 0 433.487 3.306 50 5 IGBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023409399 557352714 /nfs/dbraw/zinc/35/27/14/557352714.db2.gz DXRBOXLCQXGKON-NRFANRHFSA-N 0 0 428.464 3.112 50 5 IGBARN O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] ZINC000023411318 557352873 /nfs/dbraw/zinc/35/28/73/557352873.db2.gz FADJKTMUTREEAW-HXUWFJFHSA-N 0 0 442.435 3.456 50 5 IGBARN CN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000225834528 557372465 /nfs/dbraw/zinc/37/24/65/557372465.db2.gz AUEPGRZRIVDAGL-JTQLQIEISA-N 0 0 427.704 3.200 50 5 IGBARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102745885 557377986 /nfs/dbraw/zinc/37/79/86/557377986.db2.gz FTJNRKPUUONOID-IBGZPJMESA-N 0 0 442.497 3.259 50 5 IGBARN Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000102757037 557384305 /nfs/dbraw/zinc/38/43/05/557384305.db2.gz IKDDKLDLWXZRND-QHAWAJNXSA-N 0 0 430.420 3.349 50 5 IGBARN CCOC(=O)C1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])CC1 ZINC000102783821 557387809 /nfs/dbraw/zinc/38/78/09/557387809.db2.gz MRSMMRLMXCMVOB-IAGOWNOFSA-N 0 0 429.473 3.054 50 5 IGBARN CCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1=O ZINC000102798819 557389426 /nfs/dbraw/zinc/38/94/26/557389426.db2.gz IHGXQWDGNSOYBF-CLAROIROSA-N 0 0 445.475 3.463 50 5 IGBARN N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000100262465 557396920 /nfs/dbraw/zinc/39/69/20/557396920.db2.gz USHHKKVHMVNYOS-UHFFFAOYSA-N 0 0 445.498 3.379 50 5 IGBARN COc1cc(N2C(=O)[C@H]3[C@H](C(C)=O)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000247898286 557398281 /nfs/dbraw/zinc/39/82/81/557398281.db2.gz DPMUTYNODWNDAB-CLAROIROSA-N 0 0 447.447 3.016 50 5 IGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000002940552 562930941 /nfs/dbraw/zinc/93/09/41/562930941.db2.gz PVWLWZXQPXYFNT-UHFFFAOYSA-N 0 0 443.275 3.168 50 5 IGBARN NC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000008746580 562963927 /nfs/dbraw/zinc/96/39/27/562963927.db2.gz GXENHTVDFGOLDF-UHFFFAOYSA-N 0 0 439.375 3.240 50 5 IGBARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000013059311 562984265 /nfs/dbraw/zinc/98/42/65/562984265.db2.gz YVYOUJRIQJLWCE-UHFFFAOYSA-N 0 0 430.457 3.216 50 5 IGBARN CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000944373 568641363 /nfs/dbraw/zinc/64/13/63/568641363.db2.gz QBEQEIFNCPCGOY-LJQANCHMSA-N 0 0 448.439 3.291 50 5 IGBARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000000990371 568648223 /nfs/dbraw/zinc/64/82/23/568648223.db2.gz BLWQAVYSOWBKSY-UHFFFAOYSA-N 0 0 446.371 3.141 50 5 IGBARN COc1cccc(C(=S)N2CCOCC2)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001156807 568662625 /nfs/dbraw/zinc/66/26/25/568662625.db2.gz WVBXVVFNCFUGNC-UHFFFAOYSA-N 0 0 436.873 3.484 50 5 IGBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(I)c1 ZINC000001170038 568664274 /nfs/dbraw/zinc/66/42/74/568664274.db2.gz PGGRQBLRNIBYPC-UHFFFAOYSA-N 0 0 445.213 3.465 50 5 IGBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000015391506 568761765 /nfs/dbraw/zinc/76/17/65/568761765.db2.gz HYZDUYXTBZOZLL-UHFFFAOYSA-N 0 0 439.446 3.155 50 5 IGBARN Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3C3CCCC3)c(=O)n2c1 ZINC000100633068 568838922 /nfs/dbraw/zinc/83/89/22/568838922.db2.gz BVWZCPYJXDDNAD-UHFFFAOYSA-N 0 0 434.521 3.385 50 5 IGBARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000015987397 568861674 /nfs/dbraw/zinc/86/16/74/568861674.db2.gz IOOAFZCJSSRLCE-NMLBUPMWSA-N 0 0 446.463 3.089 50 5 IGBARN CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012949884 568871808 /nfs/dbraw/zinc/87/18/08/568871808.db2.gz XRACAIRUXJQGOM-UHFFFAOYSA-N 0 0 441.893 3.296 50 5 IGBARN CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]1C=C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000037341872 568884815 /nfs/dbraw/zinc/88/48/15/568884815.db2.gz AUGHPDHYZTXLHK-RCDCFZSISA-N 0 0 444.440 3.226 50 5 IGBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3Br)nn12 ZINC000001870274 568917304 /nfs/dbraw/zinc/91/73/04/568917304.db2.gz REMKKFMANFPQPG-ZROIWOOFSA-N 0 0 429.255 3.036 50 5 IGBARN CCc1ccc(OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000001891975 568917739 /nfs/dbraw/zinc/91/77/39/568917739.db2.gz FEWVYGFDYIMMMN-UHFFFAOYSA-N 0 0 447.494 3.464 50 5 IGBARN Cc1ccccc1OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000001891961 568917872 /nfs/dbraw/zinc/91/78/72/568917872.db2.gz IFALULWRPVFLNB-UHFFFAOYSA-N 0 0 433.467 3.210 50 5 IGBARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000016693026 568938174 /nfs/dbraw/zinc/93/81/74/568938174.db2.gz BKTHPXAFJJSOCO-UHFFFAOYSA-N 0 0 443.456 3.259 50 5 IGBARN C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000036250295 568983853 /nfs/dbraw/zinc/98/38/53/568983853.db2.gz FFBHTSOBLBZCSQ-AVRDEDQJSA-N 0 0 442.560 3.312 50 5 IGBARN O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12 ZINC000524730301 569125965 /nfs/dbraw/zinc/12/59/65/569125965.db2.gz DUBVQSFBSVICFU-DZGCQCFKSA-N 0 0 426.860 3.011 50 5 IGBARN NS(=O)(=O)c1ccc(NCCSc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000009883823 569150137 /nfs/dbraw/zinc/15/01/37/569150137.db2.gz CWDSVKCFOZSVMZ-UHFFFAOYSA-N 0 0 432.321 3.209 50 5 IGBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)nc1 ZINC000014328939 569158623 /nfs/dbraw/zinc/15/86/23/569158623.db2.gz RLAFOPFKQPIIIK-UHFFFAOYSA-N 0 0 434.378 3.381 50 5 IGBARN Cc1ccsc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000016742570 569160616 /nfs/dbraw/zinc/16/06/16/569160616.db2.gz BHYGRPGBHVPMLJ-ZDUSSCGKSA-N 0 0 428.919 3.448 50 5 IGBARN CC(C)CN1CC(=O)N2[C@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002112717 569182081 /nfs/dbraw/zinc/18/20/81/569182081.db2.gz IPESCDKHOHDSIF-NZQKXSOJSA-N 0 0 432.480 3.417 50 5 IGBARN CCOC(=O)C1=C(C)NC2=C([C@H]1c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc12 ZINC000017529574 569189700 /nfs/dbraw/zinc/18/97/00/569189700.db2.gz AKUQIRXOIYWLCA-SFHVURJKSA-N 0 0 426.450 3.275 50 5 IGBARN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000002181646 569190421 /nfs/dbraw/zinc/19/04/21/569190421.db2.gz BNXJGPIXFDFCEU-UHFFFAOYSA-N 0 0 431.426 3.038 50 5 IGBARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 ZINC000027528352 569263598 /nfs/dbraw/zinc/26/35/98/569263598.db2.gz VBFVWKAMJRBJFF-QGOAFFKASA-N 0 0 435.392 3.384 50 5 IGBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 ZINC000027528476 569263715 /nfs/dbraw/zinc/26/37/15/569263715.db2.gz SUKDBOLEVYOVQC-ZQFKLAOWSA-N 0 0 440.455 3.446 50 5 IGBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000017988885 569283544 /nfs/dbraw/zinc/28/35/44/569283544.db2.gz YQJUGTBAHDYTNL-ROUUACIJSA-N 0 0 425.416 3.467 50 5 IGBARN COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000027670909 569289482 /nfs/dbraw/zinc/28/94/82/569289482.db2.gz KEDRABYZABKPHS-FQEVSTJZSA-N 0 0 431.514 3.129 50 5 IGBARN CC(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917332 569292348 /nfs/dbraw/zinc/29/23/48/569292348.db2.gz ORYBOOCQJVQWDK-FQEVSTJZSA-N 0 0 446.525 3.313 50 5 IGBARN COc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000009891383 569298282 /nfs/dbraw/zinc/29/82/82/569298282.db2.gz JWLXAMJINPZMIK-UHFFFAOYSA-N 0 0 443.378 3.481 50 5 IGBARN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000225478281 569303477 /nfs/dbraw/zinc/30/34/77/569303477.db2.gz CRCBFHDRSKKBKT-UHFFFAOYSA-N 0 0 425.894 3.022 50 5 IGBARN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019645342 569324907 /nfs/dbraw/zinc/32/49/07/569324907.db2.gz CUCAZFVOGQZSLD-UHFFFAOYSA-N 0 0 446.722 3.486 50 5 IGBARN COc1ccccc1CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000095451621 569367878 /nfs/dbraw/zinc/36/78/78/569367878.db2.gz MTKATZHMKKYXHF-UHFFFAOYSA-N 0 0 426.210 3.181 50 5 IGBARN COc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000002631963 569412595 /nfs/dbraw/zinc/41/25/95/569412595.db2.gz YIZFUQFCAVRPPJ-UHFFFAOYSA-N 0 0 439.218 3.170 50 5 IGBARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002636464 569413052 /nfs/dbraw/zinc/41/30/52/569413052.db2.gz ITZBQFKUYCOTFV-HNNXBMFYSA-N 0 0 440.408 3.486 50 5 IGBARN COc1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000002682769 569416761 /nfs/dbraw/zinc/41/67/61/569416761.db2.gz YZAXVYHJMWNGBM-LBPRGKRZSA-N 0 0 443.740 3.358 50 5 IGBARN COc1ccc2c(c1OC)C(=O)N(c1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C2=O ZINC000002800169 569421782 /nfs/dbraw/zinc/42/17/82/569421782.db2.gz DBOUGWYTIZPNGN-UHFFFAOYSA-N 0 0 426.303 3.354 50 5 IGBARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000002835340 569423138 /nfs/dbraw/zinc/42/31/38/569423138.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000009127429 569505155 /nfs/dbraw/zinc/50/51/55/569505155.db2.gz LUSBNWFEVXXKPE-UHFFFAOYSA-N 0 0 431.470 3.368 50 5 IGBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000009377791 569527485 /nfs/dbraw/zinc/52/74/85/569527485.db2.gz SFJFFCKFEPEWLQ-UHFFFAOYSA-N 0 0 436.453 3.056 50 5 IGBARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C[C@@H](C)CC2 ZINC000009562063 569547240 /nfs/dbraw/zinc/54/72/40/569547240.db2.gz UNPJLDUCNQGMEZ-JTQLQIEISA-N 0 0 436.442 3.346 50 5 IGBARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000009583846 569549355 /nfs/dbraw/zinc/54/93/55/569549355.db2.gz JCRQXBFZJKBCNY-UHFFFAOYSA-N 0 0 448.453 3.126 50 5 IGBARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)nn1 ZINC000009627038 569553541 /nfs/dbraw/zinc/55/35/41/569553541.db2.gz BYPDMIIRCRZWJE-UHFFFAOYSA-N 0 0 426.454 3.406 50 5 IGBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661244 569557023 /nfs/dbraw/zinc/55/70/23/569557023.db2.gz DOKMECXJQMPPGX-UHFFFAOYSA-N 0 0 448.374 3.202 50 5 IGBARN Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)s1 ZINC000009662096 569557072 /nfs/dbraw/zinc/55/70/72/569557072.db2.gz CLHLTXOIRLQVMF-UHFFFAOYSA-N 0 0 444.922 3.053 50 5 IGBARN COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000009669131 569558053 /nfs/dbraw/zinc/55/80/53/569558053.db2.gz NVGNFWPKYWCHMX-UHFFFAOYSA-N 0 0 448.932 3.402 50 5 IGBARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009806404 569568876 /nfs/dbraw/zinc/56/88/76/569568876.db2.gz SQLAZSQRNJELBG-LJQANCHMSA-N 0 0 431.514 3.103 50 5 IGBARN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000009914849 569573429 /nfs/dbraw/zinc/57/34/29/569573429.db2.gz YDYLGHGLCFBIHD-UHFFFAOYSA-N 0 0 444.462 3.165 50 5 IGBARN CCOC(=O)Nc1ccc2c(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc(=O)oc2c1 ZINC000009980915 569576474 /nfs/dbraw/zinc/57/64/74/569576474.db2.gz YKYVSVJHHDDNNA-UHFFFAOYSA-N 0 0 437.364 3.066 50 5 IGBARN